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Standard laboratory conditions and analytical methods, but with an open mind, good analytical capabilities and the good fortune of form diversity, more options should be available for development of a well performing drug product. [Pg.93]

Frantz, Study reveals secrets to faster drug development, Nat. Rev. Drug Discovery, 5, 883 (2006). [Pg.93]

Bernstein, Polymorphism in Molecular Crystals, Oxford Science Publications, Oxford (2002). [Pg.93]

Brittain (Ed.), Polymorphism in Pharmaceutical Solids, Marcel Dekker, New York (1999). [Pg.93]

Zhang and C. A. Wilkie, Polyethylene and polypropylene nanocomposites based on polymerically-modified clay containing alkylstyrene units. Polymer, A1 (2006), 5736 3. [Pg.231]

Gilman, W. H. Awad, R.D. Davis, J. Shields, R. H. Harris, C.Davis, A. B.Morgan, T. E. Sutto, J. Callahan, P. C. Tmlove, and H. C. DeLong, Polymer/layered silicate nanocomposites from thermally stable trialkylimidazolium-treated montmorillonite. Chemistry of Materials, 14 (2002), 3776-85. [Pg.231]

Flame retardancy of nanocomposites - from research to reality - Review. Polymers and Polymer Composites, 13 (2005), 529-37. [Pg.231]

Gilman, R. H. Harris, J. R. Shields, T. Kashiwagi, and A. B. Morgan, A study of the flammability reduction mechanism of polystyrene-layered silicate nanocomposite Layered silicate reinforced carbonaceous char. Polymers for Advanced Technologies, 17(2006), 263-71. [Pg.231]

Costache, and C. A. Wilkie, The relationship between thermal degradation behavior of polymer and the fire retardancy of polymer/clay nanocomposites. Polymer, 46 (2005), 10,678-87. [Pg.231]

Kosugi and K. Fugami, in Handbook of Organopalladium Chemistry for Organic Synthesis, E. Negishi (Ed.), John Wiley Sons, Inc., Hoboken, 2002, 263-283. [Pg.602]

Palladium Reagents and Catalysts, John Wiley Sons, Chichester, 1995. [Pg.602]

Earina, V. Krishnamurthy, and W. K. Scott, Organic Reactions, John WUey Sons, Inc., New York, 1997, Vol. 50. [Pg.602]

Mitchell, in Metal-Catalyzed Cross-Coupling Reactions, A. de Meijere and R Diederich (Eds), Wiley-VCH Weinheim, 2004, Chapter 3. [Pg.602]

Browning and N. Greeves, in TransitionMetals in Organic Synthesis, S. E. Gibson (Ed.), Oxford University Press, Oxford, 1997, 35-64. [Pg.602]

Suleimanov and D. Abdullin would like to thank the Russian Foundation for Basic Research (RFFl) for the support through the grants 12-08-97064 and 12-08-00755. [Pg.219]

Morgan, G. Ceder, M.Y. Saidi, J. Barker, J. Swoyer, H. Huang, G. Adamson, Chem. Mater. 14,4684 (2002]. [Pg.219]

Michael, S.R.S. Prabaharan, in Next generation lithium ion batteries for electrical vehicles, ed. by C.R. Park (InTech, Vukovar, 2010], p. 93. [Pg.219]

Bolton, Electron spin resonance Elementary theory and practical applications (McGraw-Hill, New York, 1972), 548 p. [Pg.220]

Abragam, B. Bleaney, Electron paramagnetic resonance of transition ions (Clarendon Press, Oxford, 1970), 899 p. [Pg.220]

Cardona, CA. and Sanchez, O.J. (2007) Fuel ethanol production process design trends and integration opportunities. Bioresour. Technol, 98, 2415-2457. Kosaric, N. and Vardar-Sukan, F. (2001) The biotechnology of ethanol, in Classical and Future Applications (ed. M. Roehr), Wiley-VCH, Weinheim. [Pg.553]

Rass-Flansen, J Johansson, R., Moller, M., and Christensen, C.Fl. (2008) Steam reforming of technical bioethanol for hydrogen production. Int. J. Hydrogen Energy, 33 (17), 4547-4554. [Pg.553]

Beltramini, J.N., Fan, Y.-X., and Lu, G.Q. (2008) Chemoselective catalytic conversion of glycerol as a biorenewable source to valuable commodity chemicals. Chem. Soc. Rev., 37, 527-549. [Pg.553]

Graschinsky, C., Laborde, M., Amadeo, N., Le Valant, A., Bion, N., Epron, F., and Duprez, D. (2010) Ethanol steam reforming over Rh(l%)MgAl204/Al203 a kinetic study. Ind. Eng Chem. Res., 49 (24), 12383-12389. [Pg.553]

Martinez, T.L.M., Araque, M., Vargas, J.C., and Roger, A.C. (2013) Effect of Ce/Zr ratio in CeZr-CoRh catalysts on the hydrogen production by glycerol steam [Pg.553]

2 Gruber, C Lavandera, I., Faber, K. and Kroutil, W. (2005) Advanced Synthesis cf Catalysis, 348,1789-1805. [Pg.224]

4 Arosio, D., Caligiuri, A., D Arrigo, P., Pedrocchi-Fantoni, G., Rossi, C., Saraceno, C., Servi, S. and Tessaro, D. (2007) Advanced Synthesis Catalysis, 349,1345-1348. [Pg.224]

11 Felfer, U., Goriup, M., Koegl, M.F., Wagner, U., Larissegger-Schnell, B., Faber, [Pg.224]

13 (a) Adam, W., Lazarus, M., Boss, B., Saha-Meller, C.R., Humpf, H.U. and Schreier, [Pg.224]

17 Soda, K., Olkawa, T. and Yokolgawa, K. (2001) Journal of Molecular Catalysis B Enzymatic, 11, 149-153. [Pg.225]

Shahinpoor, M. and Schneider, H.-J. (2008) Intelligent Materials, RSC Publishing, Cambridge. [Pg.136]

Jenekhe, S.A. and Kiserow, D.J. (2005) Chromogenic Phenomena in Pdymers Tunable Optical Properties, American Chemical Society, Washington, DC, [Pg.136]

and Weder, C. (2007) Photo-luminescent polymer blends and uses therefore. US Patent 7,223,988 (to Case Western Reserve University). [Pg.136]

Kinami, M., Crenshaw, B.R., and Weder, C. (2007) Time-temperature indicators. US Patent Application 2007/0158624. [Pg.136]

For an excellent perspective on mechanically induced luminescent changes in molecular assemblies see Sagara, Y. and Kato, T. (2009) Nat. Chem., 1, 605. [Pg.136]

The development and application of the CPHMD method demonstrate that simulations are capturing physical reality at increasing resolution. With the explosion in computing technologies, we are just at the beginning of a new era, where in silico experimentation becomes an indispensable complement to wet lab experiments in exploring unanswered questions related to a wide variety of biological and chemical processes. [Pg.279]

Alexov EG, Gunner MR (1997) Incorporating protein conformational flexibility into the calculation of pH-dependent protein properties. Biophys J 72 2075-2093. [Pg.279]

Antosiewicz J, McCammon JA, Gilson MK (1994) Prediction of pH-dependent properties of proteins. JMol Biol 238 415 136. [Pg.279]

Baptista M (2002) Comment on Explicit-solvent molecular dynamics simulation at constant pH Methodology and application to small amines . J Chem Phys 116 7766-7768. [Pg.279]

Baptista M, Teixeira VH, Soares CM (2002) Constant-pH molecular dynamics using stochastic titration. J Chem Phys 117 4184-4200. [Pg.279]

For many students and professors, this chapter may completely suffice as a review of bonding, because it is sufficient for almost all organic transformations. For other students and professors, however, it may be desirable to now go directly to Chapter 14, where the concepts introduced herein are discussed more quantitatively and modern methods in computational electronic structure theory are covered. This is a decision to be made on an individual basis. However, it should be appreciated that to the best of the authors abilities, we took the topics of this chapter only to a depth that is routinely used when thinking about organic structure and bonding by a non-expert in quantitative methods. Our intention is for Chapter 14 to stand alone, so it can be covered at any point during the course to learn more advanced concepts and quantitative methods. [Pg.61]

Helgaker, P. j0rgensen, and J. Olsen, Molecular Electronic-Structure Theory, Wiley, [Pg.211]

Peyerimhoff, in Encyclopedia of Computational Chemistry, Wiley, New York, 1998, [Pg.211]

Murrel, The Theory of the Electronic Spectra of Organic Molecules, Methuen, London, [Pg.211]

Jaffe and M. Orchin, Theory and Applications of Ultraviolet Spectroscopy, Wiley, [Pg.211]

Mataga and A. Kubota, Molecular Interactions and Electronic Spectra, Marcel Dekker, [Pg.211]

Unlike energy, chemicals and materials can only be produced from carbon-containing resources such as crude oil or biomass. As the price of crude oil increases, traditional mass chemicals such as ethylene, propylene and benzene will become more expensive and less widely available. [Pg.601]

Therefore, chemicals and materials derived from biomass are the only alternatives to oil-derived chemical products, which means that we have to redesign those central chemical processes and molecules which form the basis of the current chemical industry. New monomers and processes based on new technologies, such as biorefinery and industrial biotechnology, will replace them and help the chemical industry to stay competitive. [Pg.601]

The list of monomers described in this chapter is only a 2014 snapshot of technological developments, which, if successful, may lead to commercial opportunities. A similar list of the top 10 biobased monomers in few years will probably look completely different. [Pg.601]

Chemicals and materials based on monomers from renewable resources are already providing opportunities today, and will definitely continue to do so in future. This will not merely involve replacing conventional plastics in individual application areas but also means that completely new ones will be developed. It is very uncertain how rapidly this can be realised and depends on multiple factors, e.g., the legislative framework conditions, price developments of raw materials and the general economic climate. [Pg.601]

In the future, biorefineries will process a variety of biomass-based feedstocks in order to produce new base chemicals for the production of many new and already existing bulk chemicals and polymers. White biotechnology will play an important role in this development, as it does already in the production of pharmaceuticals, fine chemicals and speciality chemicals. [Pg.601]

2 Livage, J., Henry, M., and Sanchez, C. (1988) Prog. Solid State Chem., [Pg.63]

26 Niederberger, M., Gamweitner, G Krumeich, F Nesper, R., Cbifen, H., and Antonietti, M. (2004) Chem, Mater., [Pg.64]

33 Buha, J., Arcon, D., Niederberger, M and Djerdj, I. (2010) Phys. Chem. Chem. Phys., 12,15537. [Pg.64]

34 Djerdj, L, Sheptyakov, D., Gozzo, F Arcon, D., Nesper, R., and Niederberger, [Pg.64]

55 Yanez-Vilar, S., Sanchez-Andujar, M., Gomez-Aguirre, C., Mira, J., Senaris-Rodriguez, M.A., and Castro-Garcia, S. [Pg.64]

However, the construction and analysis of reaction mechanisms remain far from being a fully automated or automatable process. As seen throughout this chapter, there are many points where educated guessing [Pg.239]

Andres, M. Head-Gordon, E.S. Replogje, J.A. Pople, Gaussian 98. Gaussian, Inc., Pittsburgh, PA, 1998. [Pg.242]

Hartwig, J. (2010) Organotrandtion Metal Chemistry, University Science Books, Sausalito, CA. [Pg.115]

(2004) Palladium Reagents and Catalysts. New Perspectives for the 21st Century, Wiley-VCH Verlag GmbH, Chichester. [Pg.115]

Morales-Morales, D. and Jensen, C.M. (2007) The Chemistry of Pincer Compounds, Elsevier, Amsterdam. [Pg.115]

(2013) in Cross Coupling and Heck Type Reactions 2 (ed J.P. Wolfe), Thieme, p. 485. [Pg.116]

Pincer and Pincer-Type Complexes Applications in Organic Synthesis and Catalysis, First Edition. [Pg.117]

We have performed ab initio and DFT calculations of model clusters simulating various point defects, impurities, and their combinations in [Pg.113]

Conducting polymer nanotube and nanowire synthesized by using nanoporous template Synthesis, characteristics, and applications, Synth. Met., 135, 7-9 (2003). [Pg.462]

Fabrication and applications of conducting polymer nanotube, nanowire, nanohole, and double wall nanotube, Synth. Met., 153, 313-316 (2005). [Pg.462]

6 a) H. Urabe, F. Sato, in Handbook of Grignard Reagents ids. G. S. Silverman, P. E. Rakita Marcel Dekker, New York, 1996, p. 577 b) B. J. Wakefield, Organo-magnesium Methods in Organic Synthesis Academic Press, London 1995. [Pg.164]

Kumada, The Chemistry of the Metal-Carbon Bond, Vol. 4 Ed.  [Pg.164]

Transition Meted Reagents and Catalysts, Wiley, Chichester 2000. [Pg.164]

Reactions of Nonmetallic Substances, Prentice-Hall, New York, 1954, c) [Pg.164]

Silverman, P. E. Rakita, Handbook of Grignard-Reagents, Marcel Dekken New York, 1996  [Pg.164]

Cowie IMG. Polymers Chemistry and Physics of Modern Materials. New York Chapman and Hall 1991. [Pg.313]

Singh J, Agrawal KK. Polymeric materials for contact lenses. J Macromol Sci Rev Macromol Chem Phys 1992 32 521-534. [Pg.313]

Helgesen M, Spndergaard R, Krebs FC. Advanced materials and processes for polymer solar cell devices. J Mater Chem 2010 20 36-60. [Pg.313]

Usta H, Risko C, Wang L, Facchetti A, Ratner MA, Marks TJ. Synthesis, characterization, and transistor response of semicondncting sUole polymers with snbstantial hole mobility and air stability. Experiment and theory. J Am Chem Soc 2008 130 7670-7685. [Pg.313]

Han YC. Polymer thin films for antireflection coatings. J Mater Chem C 2013 1 2266-2285. [Pg.313]

Gunter, C. Brideau, B. Pikounis and A. Liaw, J. Biomol. Screen., 2003, [Pg.29]

Hergenrother, Curr. Opin. Chem. Biol., 2006, 10, 213 (b) J. Soderholm, M. Uehara-Bingen, K. Weis and R. Heald, Nature Chem. Biol., [Pg.29]

Noren-Muller, I. Reis Correa Jr., H. Prinz, C. Rosenbaum, [Pg.29]

Saxena, H. Schwalbe, D. Vestweber, G. Cagna, S. Schunk, O. Schwarz, [Pg.29]

Applications for Activity-based Probes in Drug Discovery [Pg.33]

(a) Manassen, ]., In Basalo, F. and Burwell, R.L., Jr. (Eds.), Catalysis Progress in Research, Plenum, London, 1973, pp. 177-183 (b) Dror, Y. and Manassen, J., Hydrogenation of olefins with rhodium-phosphine complexes, having substrate and catalyst in two different immiscible phases. An alternative method for the heterogenization of a homogeneous catalyst, /. Mol Catal, 1977, 2, 219. [Pg.207]

Eor a recent article on large-scale enantioselective catalysis, see Blaser, H.-U., Enantioselective catalysis in fine chemicals production, Chem. Commun., 2003, 293. [Pg.207]

(a) Runtz, E.G., Homogeneous catalysis... in water, CHEMTECH, 1987,17,570 (b) Comils, B. and Kuntz, E.G., Introducing TPPTS and related ligands for industrial biphasic processes, /. Organomet. Chem.y 1995, 502, 177. [Pg.208]

For an early outstanding example, see Casalnuovo, A.L. and Calabrese, J.C., Palladium catalyzed alkylations in aqueous media, /. Am. Chem. Soc., 1990,112,4324. [Pg.208]

(a) Keane, M.A., The importance of modifier pH in the generation of enantioselective nickel-catalysts, CataL Lett., 1993,19,197 (b) Guo, H. and Ding, K.L., Reduction of 1,T-binaphthyls to octahydro-1,1 -binaphthyl derivatives with Raney Ni-Al alloy in aqueous solution. Tetrahedron Lett., 2000,41, 100061. [Pg.208]

Surface mass spectrometry (SSIMS and SNMS) is a very powerful tool for the chemical characterization of surfaces. It is able to identify elements and molecules present, it is sensitive down to the ppb and fmol levels, it is very surface specific (information depth = the outermost monolayer) and allows the determination of the lateral distributions of elements and molecules with sub- im resolution. Furthermore it can be applied to almost any material in general without any special preparation (i.e., as-received). It therefore should be the method of [Pg.249]

Surface mass spectrometry is still developing very fast. Here are some brief reports on recent progress. [Pg.250]

Temperature-programmed SSIMS If the target temperature is controlled, then temperature-dependent surface processes (e.g.. lateral diffusion) can be monitored in real time. Cooling the sample also allows the study of volatile species, while the evaluation of secondary-ion intensities as a function of target temperature can offer new insight into binding processes as well as into secondary-ion formation. [Pg.250]

DSIMS instruments, ToF instruments already offer better depth resolution, with atomic mixing effects reduced to almost a monolayer. Furthermore all elements of one polarity can be profiled simultaneously. [Pg.251]

SNMS In SNMS most progress can be expected from a combination of laser postionization and sputter depth profiling. In contrast to the case of secondary ions where the yields can fall dramatically with depth due to depletion of oxygen, the ion yields of postionized secondary neutrals remain stable with depth resulting in much easier quantification and enhanced sensitivies. In combination with imaging, information on the three-dimensional distribution of elements becomes easily accessible. [Pg.251]

Supramolecular Chemistry Concepts and Perspectives. VCH, Weinheiin, New York, Basel, Cambridge, Tokyo, 1995 b) G. R. Desiraju, Chemistry beyond the molecule. Nature, 2001, 412, 397-400. [Pg.194]

Fischer, Einfluss der Configuration auf die Wirkung der Enzyme, Ber. Dtsch. Chem. Ges., 1894, 27, 2985-2993. [Pg.194]

Liining, Concave reagents synthesis of macrobicyclic pyridines, Liebigs Ann. Chem., 1987, 949-955. [Pg.194]

Holler, R. Okazaki, Synthesis, structure, and reactions of a sulfenic acid bearing a novel bowl-type substituent the first synthesis of a stable sulfenic acid by direct oxidation of a thiol, J. Am. Chem. Soc., 1997, 119, 1460-1461 b) K. Goto, R. Okazaki, Molecular bowls [Pg.194]

Schmidtchen, Host-guest interactions. The binding mode of 6-nitrobenzisoxazole-3-carboxylate to quaternary ammonium macrocycles, J. Chem. Soc., Perkin Trans. 2, 1986, 135-141. [Pg.195]

Substantial progress in our understanding of motor proteins can be expected from the extension of the presently available data about the [Pg.338]

Al-Bassam, J., Cui, Y., Klopfenstein, D., Carragher, B. O., Vale, R. D., and Milligan, R. A. (2003). Distinct conformations of the kinesin Uncl04 neck regulate a monomer to dimer motor transition. J. Cell Biol. 163, 743-753. [Pg.340]

Geeves, M. A., Kurzawa, S. E., and Manstein, D. J. (1996). Myosin motors with artificial lever arms. EMBO J. 15, 6069-6074. [Pg.340]

Asenjo, A. B., Krohn, N., and Sosa, H. (2003). Configuration of the two kinesin motor domains during ATP hydrolysis. Nat. Struct. Biol. 10, 836-842. [Pg.340]

Berger, B., Wilson, D. B., Wolf, E., Tonchev, T., Milla, M., and Kim, P. S. (1995). Predicting coiled-coils by use of pairwise residue correlations. Proc. Natl. Acad. Sci. USA 92, 8259-8263. [Pg.340]

2 Garci a-Urdiales, E., Alfonso, I. and Gotor, V. (2005) Chemical Reviews, 105, 313-354. [Pg.189]

3 Torres-Gavilan, A., Castillo, E. and Lopez-Mungui a, A. (2006) Journal of Molecular Catalysis B Enzymatic, 41, 136-140. [Pg.189]

5 Gotor-Fernandez, V., ReboDedo, F. and Gotor, V. (2007) Preparation of chiral pharmaceuticals through enzymatic acylation of alcohols and amines, in Biocatalysis in the Pharmaceutical and Biotechnology Industry, (ed. R.M. Patel), Dekker, Taylor and Francis, New York, Chapter 7, pp. 203-248. [Pg.189]

7 Gotor Fernandez, V., Busto, F. and Gotor, V. (2006) Advanced Synthesis and Catalysis, 348, 797-812. [Pg.189]

9 (a) Bornscheuer, U.T. and Kazlauskas, R.J. (2006) Hydrolases in Organic Synthesis, 2nd edn, Wiley-VCH Verlag GmbH. [Pg.189]

1 Beauchamp, L.M., Orr, G.F., de Miranda, P., Burnette, T. and Krenitsky, T.A. (1992) Amino acid ester prodrugs of acyclovir. Antiviral Chemistry S. Chemotherapy, 3, 157-164. [Pg.261]

2 de Vrueh, R.L., Smith, P.L. and Lee, C.P. (1998) Transport of L-valine-acyclovir via the oligopeptide transporter in the human intestinal cell line, Caco-2. The Journal of Pharmacology and Experimental Therapeutics, 286 (3), 1166-1170. [Pg.261]

(2007) Expression of thirty-six drug transporter genes in human intestine, liver, kidney, and organotypic cell lines. Drug Metabolism and Disposition The Biological Fate of Chemicals, 35 (8), 1333-1340. [Pg.261]

5 Brandsch, M., Knutter, I. and Leibach, F.H. (2004) The intestinal H + /peptide symporter PEPT1 structure-affinity relationships. European Journal of Pharmaceutical Sciences, 21 (1), [Pg.261]

6 Meredith, D. and Boyd, C.A. (2000) Structure and function of eukaryotic peptide transporters. Cellular and Molecular Life Sciences, 57 (5), 754—778. [Pg.261]

The relationship between morphology and properties is very important and is understood at present for only a limited number of systems and only for some properties (elastic modulus, electrical conductivity, coefficient of thermal expansion, gas permeability). As the complexity of the system increases, accurate prediction of properties becomes more difficult and would require more elaborate computational and experimental techniques. [Pg.260]

Finally, we emphasize that this chapter is by no means exhaustive it is our hope, however, that it provides some general idea of recent developments in the theory and modeling of polymer/nanoparticle blend systems. [Pg.260]

As a result of their inherent steric and electronic properties, as well as proximal Jt-orbitals, C-C=0 and C-CN bonds provide excellent opportunities for [Pg.216]

The C-C=0 and C-CN bond cleavage reactions are of fundamental interest to the organometaUic community. However, recent intensive studies in this area have also attracted practitioners of organic synthesis since these reactions enable new bond disconnections of ketones and nitriles, thus leading to innovative approaches to constructing complex molecules [82]. [Pg.217]

Hartwig, J.F. (2010) Organotransition Metal Chemistry, University Science Book, Mill VaUey, CA, pp. 668-676. [Pg.218]

To a solution of the ArSt-Bu (2 mmol) and AcCl (1 mL) in CH2C12 (20 mL) was added BBr3 (1.0 M solution in CH2C12, 2.2 mL, 2.2 mmol). After stirring for 2 h at room temperature, the mixture was poured into ice and worked up in the usual manner [10]. [Pg.388]

General procedure for coupling of a terminal alkyne with an aryl halide [Pg.388]

Synthesis of OPV3 38 by the Horner-Wadsworth-Emmons reaction To a solution of aldehyde 6 (7.77 g, 40 mmol) and diphosphonate 37 (7.57 g, 20 mmol) in THF (200 mL) cooled in an ice-bath was added t-BuOK (4.94 g, 44 mmol) in small portions during 10 min. After stirring for 6 h at room temperature under a nitrogen atmosphere, the mixture was poured into H20 (300 mL). The yellow precipitate was filtered off, washed with H20 and dried. The product was dissolved in a minimum amount of boiling THF containing I2 (0.1 mM). The mixture was refluxed for 12 h and then slowly cooled to room temperature. The pure trans-stilbene 38 crystallized [10a]. [Pg.389]

Moth-Poulsen, L. Patrone, N. Stuhr-Hansen, J. B. Christensen, J.-P. Bour-goin, T. Bjomholm, Nano Lett. 2005, 5, 783-785. [Pg.390]

Stapleton, D. W Price, A. M. Rawlett, D. L. Allara, J. M. Tour, P. S. Weiss, Science [Pg.390]

This chapter has outlined the history and conceptual understanding of the processes responsible for ozone depletion by chlorofluorocarbons in the stratosphere. In brief, the long lifetimes of chlorofluorocarbons are reflected in their observed worldwide accumulation in the atmosphere. Their role in stratospheric ozone depletion depends critically on [Pg.501]

Observations of enhanced Antarctic and mid-latitude ozone depletion following the eruption of Pinatubo confirm the impact of liquid aerosol surfaces on chlorine and nitrogen partitioning chemistry. Observations and laboratory studies have demonstrated the efficacy of heterogeneous [Pg.502]

Observation Method Latitude (°) Altitude (km) Primary Chemistry Linkage [Pg.507]

Profile shapes of upper stratospheric ozone depletion and C10/Cly Satellite and ground-based Northern Hemisphere mid-latitude 30-50 Gas-phase chlorine chemistry, particularly partitioning processes [Pg.507]

Ogoshi, K. Masaki, R. Shiga, K. Kitajima and T. Yamagishi, Org. Lett., [Pg.130]

Ogoshi, H. Kayama, D. Yamafuji, T. Aoki and T. Yamagishi, Chem. Set, [Pg.130]

Takata, N. Kihara and Y. Furusho, Polymer Synthesis, Springer Berlin, Heidelberg, 2004, vol. 171, pp. 1-75. [Pg.130]

Graduate School of Natural Science and Technology, Kanazawa University, Kakuma-machi, Kanazawa 920-1192, Japan Email ogoshi(g)se.kanazawa-u.ac.jp [Pg.134]

Investigating the assembled structures of macrocyclic compounds in the solid state is very important because such studies reveal the optical properties, mechanical and thermal stabilities in macrocyclic-based bulk materials, and the complexation ability of macrocyclic compounds. Assembled structures of macrocyclic compounds, such as cyclodextrins (CDs), calix[ ]arenes and cucutbit[ ]urils in the crystal state have [Pg.134]

The redox chemistry of boron is very rieh and highly interesting (i) from an academic perspective due to the control of electronic levels, binding, and architectures in molecules and solids and (ii) from an applieation perspective in particular with many practical sensor and biosensor applications. [Pg.250]

Contemporary Boron Chemistry, ed. M. G. Davidson, K. Wade, T. B. Marder and A. K. Hughes, Royal Society of Chemistry, Cambridge, 2000. [Pg.251]

Ellis and R. B. Moore, Electrochem. Solid-State Lett., [Pg.251]

Hupert, A. Muck, R. Wang, J. Stotter, Z. Cvackova, S. Haymond, Y. Show and G. M. Swain, DiamondRelat. Mater., 2003,12,1940. [Pg.252]

Fortin,J. Chane-Hine, D. Delabouglise, P. Bouvier, T. Livache, P. Mailley, B. Marcus, M. Mermoux, J. P. Petit, S. Szunerits and E. Vieil, Electroanalysis, 2005, 17, 517. [Pg.252]

gratefully thanks the Organizing Committee and E. Brandas in particular for the invitation, and I. Kaplan, V. Ortiz, and B. Silvi for useful discussions. Earlier discussions with P.-O. Lowdin on the mechanism of base pair mismatches are also appreciated. Support of the University Leuven within Fellowship Grant is acknowledged. M. T. N. thanks the Fund for Scientific Research FWO - Vlaanderen for financial support. The authors also appreciate Th. Zeegers-Huyskens for stimulating discussions and L. A. Eriksson for providing the work [26b] prior to its publication. [Pg.98]

Thiouracils Structures, Tautomerism, Interaction with Water [Pg.101]

Department of Physical Chemistry, Uppsala University, Box 532, S-75121 Uppsala,Sweden [Pg.103]

Copyright 2001 by Academic Press. All rights of reproduction in any form reserved. [Pg.103]

In section 2, the formalism behind the separation of nuclear and electronic systems is sketched. The theory leading to an approach complementing the BO scheme used hitherto is introduced. The driving idea is to eliminate the use of the dynamical coordinates in defining reference frames. A rigged BO scheme is obtained where a one-to-one mapping between chemical species and electronic [Pg.105]

The authors gratefully acknowledge the ICIQ and ICREA foundations. [Pg.24]

1 Fersht, A. (1977) Enzyme Structure and Mechanism, W.H. Freeman and Company, Reading and San Francisco, pp. 371. [Pg.24]

2 Kirby, A.J. (1996) Enzyme mechanisms, models, and mimics. Angew. Chem., Int. Ed. Engl., 35. 707-724. [Pg.24]

3 Cacciapaglia. R.. Di Stefano, S. and Maridolini. L. (2004) Fffective molarities in supramolecular catalysis of two-substrate reactions. Acc. Chem. Res., [Pg.24]

4 Mulder. A.. Auletta. T., Sartori, A., Del Ciotto, S.. Casnati. A., Ungaro, R., Huskens. J. and Reinhoudt, D.N. (2004) Divalent binding of a bis(adamantyl)-functionalized calix[4]arene to beta-cyclodexti in-based hosts An experimental and theoretical study on multivalent binding in solution and at selfassembled monolayers. J. Am. Chem. Soc., 126, [Pg.24]

Recent advances in relativistic quantum theory and computational methods have raised the research in the theoretical chemistry of the heaviest elements to a qualitatively new level. It became possible to predict properties of the heaviest elements, their gaseous compounds and complexes in solutions with a sufficiently high accuracy. On the basis of those calculations, the behaviour of the heaviest element species in specific chemical experiments was reliably predicted and confirmed by specially designed experiments. [Pg.70]

The development of correlation schemes at the highest levels of theory (the CCSD(T) technique) allowed for very accurate DCB predictions of atomic properties for the heaviest elements up to Z=122 (see Chapter 2 in this book). Reliable electronic configurations were obtained assuring the position of the superheavy elements in the Periodic Table. Accurate ionization potentials, electron affinities and energies of electronic transitions (with the accuracy of below 0.01 eV) are presently available and can be used to assess the similarity between the heaviest elements and their lighter homologs in the Periodic Table. [Pg.70]

Especially remarkable was the appearance of a large number of molecular calculations performed with the use of practically all the best available relativistic quantum-chemical methods including ab initio DCB with electron correlation. The latter was used for calculations of the electronic structures of simple heaviest element molecules mainly with the aim to study relativistic and correlation effects. These methods will need fiulher development, as well as powerful supercomputers to be applied to heavy element systems in a routine manner. [Pg.70]

Effective core potentials became more accurate in the last decade also, and the description of molecular properties with an accurate treatment of electron correlation (mainly CCSD(T) procedures) allowed the study of a large number of gas-phase molecules of the heaviest elements up to Z=118. Density [Pg.70]

Although a richness of information has been obtained, a number of open questions still remain. For elements which were chemically identified, like Rf or Sg, a more detailed study, both theoretical and experimental, should follow. Elements 109, 110 and 111 are still to be studied experimentally the prerequisites for their successful experimental studies should be similar to those of the lighter transactinides. These include the existence of isotopes long enough for chemical studies, knowledge of their nuclear decay properties, so that they can be positively identified, synthesis reactions with the highest possible cross sections and suitable techniques for their separation. For those elements, predictions of the chemical behaviour are a matter of future research. Especially difficult will be the accurate prediction of adsorption of the heaviest elements on various surfaces, or their precipitation from aqueous solutions by determining electrode potentials. For that, further developments in accurate calculational schemes are needed. More sophisticated methods are needed to treat weak interactions, which are important for physisorption processes. [Pg.71]

The non-covalent synthesis of discrete macrocyclic and macrooligocyclic structures using multiple hydrogen-bonding interactions has now become a reality. The supramolecular approach outlined here represents an attractive and effective alternative to traditional stepwise covalent synthesis. Use of multiple hydrogen bonds to organize molecular components into supramolecular nanostructures has [Pg.105]

The stability of a cyclic multimolecular aggregate stabilized by intermolecular interactions is not simply a consequence of AG°, since this thermodynamic variable does not take into account the effect of the concentration (entropy) on the extent of the aggregation. The concepts derived from the study of simple model systems of macrocyclic structures stabilized by hydrogen bonds could be used to rationalize the association of more complex biological aggregates. [Pg.106]

In addition, the construction of cyclic aggregates stabilized by hydrogen bonds paved the way for the study of reversible molecular encapsulation and the nature of intimate molecular relationships isolated from the bulk solvent, as well as the effects that molecular confinement in nanoscopic spaces has chemical reactivity. [Pg.106]

Remarkable progress has been made in the diagnosis and treatment of cancer. Despite this progress, cancer-related deaths worldwide continue to increase regularly and the increase is directly related to ever-increasing environmental contamination by toxic chemicals. An example of the ever-increasing prevalence of cancer is breast cancer, the most frequent cancer in women. Despite thousands of studies, the etiology of breast cancer remains poorly understood. 129  [Pg.544]

Identification and elimination of the carcinogenic agents from the environment is crucial if the war on cancer is to be won. Treatment alone cannot bring success. [Pg.544]

Wogan GN, Hecht SS, Felton JS, et al. Environmental and chemical carcinogenesis. Semin Cancer Biol 2004 14(6) 473-86. [Pg.544]

Davis DL, Muir C. Estimating avoidable causes of cancer. Environ Health Perspect 1995 103 (Suppl 8) 3016. [Pg.544]

Newby JA, Howard CV. Environmental influences in cancer aetiology. JNutr Environ Med2005 15(2-3) 56-l 14. [Pg.544]

With the above developments, computational science and engineering can become the third pillar for battery design and science and will truly complement theory and experiments. [Pg.870]

Funding for this work from ORNL LDRD Predictive Battery Simulation Project is gratefully acknowledged. Discussions with Drs. Jagjit Nanda, Claus Daniel, Jack Wells, and Prof. Egwu Kalu are greatly appreciated. [Pg.870]

Sondergaard, M. Hosel, D. Angmo, T. T. Larsen-Olsen and F. C. Krebs, Mater. Today, 2012,15, 36. [Pg.70]

Geerts, J. Smith, S. Watkins, T. D. Anthopoulos, H. Sirringhaus, J. C. de Mello, M. Heeney and I. McCulloch, Chem. Mater, 2010,23,768. [Pg.76]

While all these approaches point to various possible and often elegant solutions to the waste problem of the Mizoroki-Heck reaction, each still has its drawbacks. Thus, in the short term, customized solutions to minimize the waste effluent will be required for specific synthetic applications, until, in the long run, the ideal, generally applicable method is found. This could on the one hand ensue from the development of shape-selective C—H activation catalysts that by themselves are able to define the position of functionalization, to be used in the oxidative arylation of alkenes with either molecular oxygen or hydrogen peroxide [Pg.176]

Tucker, C.E. and de Vries, J.G. (2002) Homogeneous catalysis for the production of fine chemicals. Palladium- and nickel-catal3raed aromatic carbon-carbon bond formation. Top. Catal., 19, 111.  [Pg.177]

For a review on C—H activation chemistry, see Ritlend, V, Sirlin, C. and Pfeifer, M. (2002) Ru-, Rh-, and Pd-catalyzed C—C bond formation involving C—H activation and addition on unsaturated substrates reactions and mechanistic aspects. Chem. Rev., 102, 1731-69. [Pg.177]

(a) Beletskaya, I.P. and Cheprakov, A.V. (2000) The Heck reaction as a sharpening stone of palladium catalysis. Chem. Rev., 100, 3009-66 (b) Alonso, F., Beletskaya, I.P. and Yus, M. (2005) Non-convenlional methodologies for transition-metal catalyzed carbon-carbon coupling A critical overview. Part 1 the Heck reaction. Tetrahedron, 61, 11771-835. [Pg.177]

(a) Jeffery, T. (1984) Palladium-catalysed vinylation of organic halides under soUd-liquid phase transfer conditions. J. Chem. Soc., Chem. Commun., 1287-8 (b) Botella, L. and Najera, C. (2004) Controlled mono and double Heck reactions in water catalyzed by an oxime-derived palladacycle. Tetrahedron Lett., 45, 1833-6. [Pg.177]

Polymer patterning via colloids is a promising method and a very active field of research. It is currently limited to a small number of geometries, for some of vhich it is the most efficient fabrication approach. Today, particle-based structures are arguably the most efficient source of optical bandgap materials and (via shadowed evaporation) a very promising route to large-area metal nanostructures. [Pg.191]

The prospects are alluring. Colloidal polymer patterning is similar to very well-established painting and coating processes, so that existing equipment could be adapted for the production of coatings and materials with new properties. The polymer latex formulations that form the basis of the process are well-known in industry, and the step to monodispersed particles and controlled deposition seems viable. For applications where molding methods are inapplicable, particle-based polymer patterns could form the basis of industrial processes. [Pg.191]

Keddie, J.L. (1997) Film formation of latex. Mat. Sci. Eng. R, 21 (3). 101-170. Woods, M.E., Dodge, J.S., Krieger, I.M., and Pierce, P.E. (1968) Monodisperse lattices I. Emulsion polymerization with mixtures of anionic and nonionic surfactants. J. Paint Technol., 40 (527), 541. [Pg.191]

Thickett, S.C. and Gilbert, R.G. (2007) Emulsion polymerization State of the art in kinetics and mechanisms. Polymer, [Pg.191]

Support of our work by the National Science Foundation and the National [Pg.222]

Barkley, A. A. Kowalzyk, and L. Brand, Biomolecular Stereodynamics Proceedings of Symposium 1, 391-403, Academic Press, Schenectady, New York (1981). [Pg.223]

Pusey and R. J. A. Tough, Particle interactions, in Dynamic Light Scattering Applications cfPhoton Correlation Spectroscopy (R. Pecora, ed.), pp. 85-179, Plenum Press, New York (1985). [Pg.223]

Sobell, T. D. Sakore, J. A. Banerjee, K. K Bhanclary, B. S. Reddy, and E. D. Lozansky, Cold Spring Harbor Symp. Quant. Biol. 47, 273-314 (1983). [Pg.223]

Clendenning, B. S. Fujimoto, A. S. Benight, and J. M. Schurr, Interaction of chloroquine with linear and supercoiled DNAs. Effect on the torsional dynamics, rigidity, and twist energy parameter, Biochemistry 27, 8128-8144 (1988). [Pg.224]

Nucleated supramolecular polymerization, on the other hand, is a much more sensitive function of the external conditions. Indeed, a sharp polymerization point can be identified below which almost no material is in the polymerizated state and above which the self-assembled polymers exhibit a strong variation of their mean size with varying concentration, temperature, and so on. Nucleated equilibrium polymerization requires the existence of [Pg.70]

Individual monomeric building blocks interconvert between assembly-inactive and assembly-active conformational states  [Pg.71]

Assembled states interconvert between different conformers characterized by differently bound states of monomers that themselves remain inert  [Pg.71]

Switching between different aggregated states resulting from a switching between different conformational states of the monomer units. [Pg.71]

If the conformational switching is that between high-molecular weight polymeric species, then the structural transition between them can be highly co-operative but the assembly remains by and large isodesmic. So, co-operativity is a required but not a sufficient condition for creating nucleated supramolecular polymerizations. [Pg.71]

1 Dayal, S., Kopidakis, N., Olson, D.C., Ginley, D.S., and Rumbles, G. (2009) Photovoltaic devices with a low band gap polymer and CdSe nanostructures exceeding 3% efficiency. Nano Lett., 10, 239-242. [Pg.421]

2 Service, R.F. (2011) Outlook brightens for plastic solar cells. Science, 332, 293. [Pg.421]

Nelson, J., Durrant, J,R and Bradley, D.D.C. (2004) Organic photovoltaic devices based on blends of regioregular poly(3-hexylthiophene) and poly(9,9-dioctylfluorene-co-benzothiadiazole). Chem. Mater., 16, 4812-4818. [Pg.421]

4 Hodgkiss, J.M., Campbell, A.R., Marsh, R.A., Rao, A., Albert-Seifried, S and Friend, R.F1. (2010) Subnanosecond geminate charge recombination in polymer-polymer photovoltaic devices. Phys. Ra . Lett., 104,177701. [Pg.421]

5 Swaraj, S., Wang, C., Yan, FI., Watts, B., Luning, J., McNeill, C.R., and Ade, H. (2010) Nanomorphology of bulk heterojunction photovoltaic thin films probed with resonant soft X-ray scattering. Nano Lett., 10, 2863-2869. [Pg.421]

62 Fnaru, A., Berlhault, A., Besson, T., GuiUaumet, C., and Berteina-Raboin, S. [Pg.197]

77 (a) Jensen, T., Pedersen, H Bang-Andersen, B Madsen, R and Jorgensen, [Pg.197]

Three classes of commercial herbicides, the AOPP, the CHD and the newly discovered AD derivatives, inhibit the CT function of the eukaryotic ACC found in the plastids of grasses [3, 4]. Interestingly, ACC is a target site of the novel insecticides spirodiclofen and spiromesifen [90, 91], which also belong to the chemical class of AD. [Pg.354]

Progress in function elucidations of ACC inhibitors has largely contributed to the understanding and the differentiation of resistance mechanisms [30]. [Pg.354]

Considerable effort has been undertaken in recent years to elucidate the mode of action of herbicides on ACC at the molecular level. Point mutations in the [Pg.354]

Taken together, both approaches have allowed the prediction of the herbicide binding to the CT domain. In particular, it was possible to determine amino acid changes responsible for herbicide resistance to AOPP and/or CHD analogues and localize the amino acid directly involved in the binding of herbicides, but only for this domain [50]. [Pg.355]

Wakabayashi, K. Hirai (Eds), Springer-Verlag, Berlin-Heidelberg, 2002. [Pg.355]

This chapter has discussed the behavior of precision polyolefins and then synthesis via metathesis polycondensation chemistry. The term precision polyolefin used here refers to a class of linear, defect-free polymers that mimic perfectly sequenced copolymers of ethylene [Pg.343]

The incorporation of highly polar functional groups such as carboxylic, sulfonic and phosphonic acids produce materials that prove difficult to make industrially. These precision polyolefins are not only useful models in understanding stracture and property, but also attractive in advanced applications such as precision ionomers, biomedical materials, and membrane technologies. [Pg.344]

Baughman, T.W. and Wagener, K.B. (2005) Recent advances in ADMET polymerization. Advances in Polymer Science, 176,1 2. [Pg.345]

The authors acknowledge valuable discussions with Dr K.V. Damodaran and comments on the draft manuscript by Dr D. Price. Financial support from the NIH (GM37554) and Novartis Pharmaceuticals is appreciated. [Pg.219]

Kong and C. L. Brooks, III, X-dynarmcs A new approach to free energy calculations, [Pg.219]

Brooks, III, and X. Kong, Efficient and flexible algorithm for free energy [Pg.219]

There are much experimental data on deposition of cBN films. Both CVD and PVD methods are suitable for preparing films with high contents of the cubic phase material. Essential parameters determining the film growth are ion impact onto the growing film as well as the substrate temperature. The cBN content in the films obviously scales best with the total momentum of impinging ions per deposited atom. [Pg.442]

Sputter deposition techniques in the RF as well as in the d.c. mode were successfully used to prepare nearly single phase cBN films. [Pg.442]

At present the insufficient adhesion, eaused by high compressive stress and sensitivity to humidity, is the most essential problem to be solved. A promising way to overcome this difficulty could be discrimination between the nucleation and growth phases. Furthermore a better imderstanding of the correlation between growth conditions, film structure, and stress is needed. [Pg.442]

If a sufficient adhesion of cBN films on different substrates can be achieved for a thickness range of 1-2 pm or more, eBN coatings will have a high potential in several fields of application, especially in the field of tools for ferrous materials. [Pg.442]

in Properties of Group III Nitrides, J. H. Edgar (Ed.), INSPEC, the Institution of Electrical Engineers, London, 1994, pp. 3-21. [Pg.442]

FIGURE 17.16 Pseudo peptide 4 has a comparable affinity as the renin ligand 3. [Pg.377]

FIGURE 17.17 Compounds 8 and 10 with their constrained analogs 7 and 9, potent ligands for SH2 domains. [Pg.377]

In biological processes, the non-covalent bonding is orchestrated by complex thermodynamic rules. If a lead compound [Pg.377]

CHAPTER 17 Conformational Restriction and/or Steric Hindrance in Medicinal Chemistry [Pg.378]

Jencks, W. On the attribution and additivity of binding energies. Proc. Natl. Acad. Sci. USA 1981, 78, 4046-4050. [Pg.378]

In this chapter, we have provided an overview of die theoretical understanding of CCL operation at a hierarchy of scales. The long-term objective, facilitated by this systematic understanding, will be to develop nanostructured architectures for catalyst layers with high activity, low catalyst loading, and high stability. [Pg.438]

Basically, a fuel eell electrode can be seen as a highly dispersed interface between Pt and electrolyte (ionomer or water). Due to the random composition, complex spatial distributions of electrode potential, reaction rates, and concentrations of reactants and water evolve under PEFC operation. A subtle electrode theory has to establish the links between these distributions. [Pg.438]

The modeling of structure and operation of CLs is a multiscale problem. The challenges for the theory and modeling of catalyst layer operation are, however, markedly reduced if we realize that the main structural effects occur at well-separated scales, viz. at catalyst nanoparticles (a few nm), at agglomerates of carbon/Pt ( 100 nm), and at the macroscopic device level. [Pg.438]

Atomistic and coarse-grained MD simulations of self-organization in catalyst layers suggest that the resulting structures are inherently unstable. Applicable solvents with different dielectric constants correspond to different stable conformations in terms of agglomerate sizes, sizes of ionomer domains, pore space [Pg.438]

In spite of the complexity of catalyst layers, the presented theoretical tools contribute to the fundamental understanding of structure-function relations and they provide guidelines for upgraded diagnostics and optimized design. Parasitic voltage losses that are caused by reduced activity of the catalyst, impaired mass transport, and insufficient water management could be identified and minimized. [Pg.439]

The holy grail of glycosylations — the generally applicable, stereoselective and technically simple glycosylation method — has yet to be found. Indeed, the search will undoubtedly continue in the future. Nevertheless, even if a single general method is developed, because of the highly [Pg.150]

Glycobiology toward understanding the function of sugars, Chem. Rev., 96, 683-720, 1996. [Pg.151]

Biological roles of oligosaccharides all of the theories are correct, Glycobiology, 3, 97-130, 1993. [Pg.151]

The review aims to highlight some recent studies that involve liquid crystals and show the utility of newer pulse NMR techniques in LC. They may involve solutes dissolved in ordered phases and their applications, or may involve the molecular ordering, rotational and/or translational diffusion of solvent molecules. Deuterium NMR spectroscopy has demonstrated many advantages over other nuclei like H and 13C, but the need to specifically deuteriate mesogens is sometimes a major drawback. 13C NMR spectroscopy seems to be useful since non-enriched samples can often be used. However, the use of 13C NMR in semi-solids like LC often requires more sophisticated NMR techniques and instrumentation. There are indeed many uncharted [Pg.145]

Ahmad Khan, H. (2007). Benzene s toxicity A consolidated short review of human and animal studies. Hum Exp Toxicol 26, 677-685. [Pg.265]

McCann, J., and Yamasaki, E. (1975). Methods for detecting carcinogens and mutagens with the 5aZmone//a/mammalian-microsome mutagenicity test. Mutat Res 31, 347-364. [Pg.265]

Waters, M. D., Preston, J., Adler, 1. D., Douglas, G. R., Eielder, R., Shelby, M. D., Anderson, D., Sofuni, T., Gopalan, H. N., Becking, G., and Sonich-Mullin, C. (1996). IPCS harmonization of methods for the prediction and quantification of human carcinogenic/mutagenic hazard, and for indicating the probable mechanism of action of carcinogens. Mutat Res 352, 153—157. [Pg.265]

Auerbach, C., and Robson, J. M. (1946). Chemical production of mutations. Nature 157, 302. [Pg.265]

Auletta, A. E., Dearfield, K. L., and Cimino, M. C. (1993). Mutagenicity test schemes and guidelines U.S. EPA Office of Pollution Prevention and Toxics and Office of Pesticide Programs. Environ Mol Mutagen 21, 38 5 discussion 46-57. [Pg.265]

The most advanced development has been made in SCWO technology beyond chemistry and thermodynamics, also covering the identification of suitable materials for construction and innovative reactor design. However, heterogeneously catalysed SCWO processes are not in operation due to the small benefit they offer compared to the homogeneous reaction and insufficient catalyst stability. Wastewater treatment is a market that is driven by legislation rather than by customers and economic benefit is poor. Therefore, the introduction of the expensive SCWO technology will be limited to niches where the costs are ranked lower than efficiency. [Pg.865]

Jessop, P. and Leitner, W. (eds) (1999). Chemical Synthesis Using Supercritical Fluids, WUey-VCH.Weinheim. [Pg.865]

Van Konynenburg, P. and Scott, R. (1980). Critical lines and phase equilibria in binary van der waals mixtures, Philos. Trans. R. Soc. Land. A, 298, pp. 495-540. [Pg.865]

and Dinjus, E. (2006). Hot compressed water as reaction medium and reactant Properties and synthesis reactions, J. Supercrit. Fluid, 39, pp. 362-380. [Pg.866]

Cochran, H., Cummings, P. and Karabomi, S. (1992). Solvation in supercritical Water, Fluid Phase Equilibr., 71, pp. 1-16. [Pg.866]

High-pressure homogenizers are commonly used today in the chemical, pharmaceutical, and cosmetic as well as the food industry. They are equipped typically with [Pg.117]

Gaulin, A. (1899) Appareil et Precede pour la Stabilisation du Lait, Patent Brecet No. 295596. [Pg.118]

Freudig, B. (2004) Herstellen von Emulsionen und Homogenisieren von Milch in modifizierten Lochblenden. Dissertation. Universitiit Karlsruhe (TH). Phipps, L.W. (1974) Cavitation and separated flow in a simple homogenizing valve and their influence on the break-up of fat globules in milk, Journal of Dairy Research, 41 (1), 1-8. [Pg.118]

8 Bayer, A.G. (1997) Verfahren und Vorrichtung zur Herstellung einer parenteralen Arzneistoffzubereitung, Patent No. W09717946. [Pg.119]

9 Bayer, A.G. (2001) DispersionN zle witii variable throughput. Patent No. WO 01/ 05517 A1 [Pg.119]

It is the author s firm belief that in situ reflectance spectroscopy in the visible and near-UV region can still contribute in an important way towards a better understanding of the structure and the properties of the electrochemical interface and of electrode processes. Its virtues are the molecular specificity and its nondestructive and easy use. The wavelength limitations set forth by the electrolyte, which are presently still encountered and which restrict the routinely performed studies to the range of about 1 to 6 eV, should be removed in the near future by the construction of appropriate thin-layer cells, similar [Pg.178]

Unlike Raman or infrared spectroscopy, with their well-defined capability of determining vibrational properties, the application of optical spectroscopy in the UV-visible range is less focused. This is because UV-visible reflectance spectroscopy intrinsically is to yield electronic excitation spectra, which unfortunately for solids are often broad and unstructured and hence not very informative as such. Therefore, this technique has increasingly been used for other tasks also, such as the determination of coverages, the assessment of structural information, and the study of surface roughness. The aim of this chapter was to demonstrate this versatility. [Pg.179]

Appendix I. How to Calculate the Nonlocal Fresnel Reflection Coefficient for a Three-Phase-System t [Pg.180]

Consider a three-phase system with ambient (ci), thin film (62) of thickness d, and substrate (e ), where phases 2 and 3 are metals, i.e., spatially dispersive media. The dielectric function Ej of phase j is given by (Eq. 20) [Pg.180]

We first write down the expressions for the normal component, fcz, of the wave vector of the transverse waves in media 1, 2, and 3 (we consider p-polarization only, with x and z defining the plane of incidence)  [Pg.180]

Beyond the organic chemists initial imagination, two unique interconvertible enamine and iminium activation modes have produced a number of unprecedented powerful cascade processes in the formation of diverse complex stractures with high efficiency and excellent stereoselectivities. This not only expands the scope of amino catalysis significantly, but more important, affords new and efficient synthetic methods in organic synthesis. It is expected that new cascade reactions with activation modes will continue to be developed to meet the synthetic danand. [Pg.46]

Although the first step is mediated by iminium eatalysis, this work was summarized into enamine-activated catalysis as a continuation of triple cascade reactions. Zhang, F., Xu, A., Gong, Y, Wei, M., and Yang, X. (2009) Chem. Eur. J., 15, 6815-6818. [Pg.48]

16 Other protonic acid-catalyzed cascade reactions 75 [Pg.53]

Chiral thiourea (urea)-catalyzed cascade reactions 75 [Pg.53]

Catalytic Cascade Reactions, First Edition. Edited by Peng-Fei Xu, Wei Wang. 2014 John Wiley Sons, Inc. Published 2014 by John Wiley Sons, Inc. [Pg.53]

Alkyne carbonylation in the presence of an alcohol or amine is now a well-established and highly versatile method for the synthesis of a range of important intermediates [Pg.286]

4 Gabriele, B., Salerno, G., Costa, M. and Chiusoli, G.P. (2004) Current Organic Chemistry, 8, 919-946. [Pg.287]

18 Ogawa, A., Kuniyasu, H., Sonoda, N. and Hirao, T. (1997) Journal of Organic Chemistry, 62, 8361-8365. [Pg.288]

24 Scrivanti, A., Matteoli, U., Beghetto, V., Antonaroli, S., Scarpelli, R. and Crodani, B. (2001) Journal of Molecular Catalysis A Chemical, 170, 51-56. [Pg.288]

27 Kushino, Y, Itoh, K., Miura, M. and Nomura, M. (1994) Journal of Molecular Catalysis, 59, 151-158. [Pg.288]

Various copolymers, which differ with regard to their compositions, micro-structures, and properties, have been prepared by using several types of early transition metal catalysts, and these unique characteristics are dependent upon the nature of the complex catalysts used. The resultant copolymers possess unique properties as new polyolefin materials. The development of other new polyolefin materials (e.g., amphiphilic) may follow the use of this synthetic technique, which can be applied not only to styrene but also to styrene containing reactive functionalities (in combination with other polymerization techniques such as ATRP, RAFT, and ROP). [Pg.87]

Gladysz, J. A., ed. Frontiers in metal-catalyzed polymerization (special issue). Chem. Rev., 100(4), 1167-1682 (2000). For example, (a) Ittel, S. D., Johnson, [Pg.87]

In Modem Styrenic Polymers Polystyrenes and Styrenic Copolymers, Scheirs, I, Priddy, D. B. (eds.), John Wiley Sons Ltd., Chichester, 2003, p. 605. (d) Guest, M. J., Cheung, Y. W, Diehl, C. F, Hoenig, S. M. In Metallocene-Based Polyolefins, Scheirs, J., Kaminsky, W. (eds.), John Wiley Sons Ltd., 2000, vol. 2, p. 271. [Pg.87]

Examples in ethylene/styrene copolymerization (a) Longo, P, Grassi, A., Oliva, [Pg.88]

(a) Arai, T., Ohtsu, T., Suzuki, S. Macromol. Rapid Commun., 19, 327 (1998). (b) Arai, T., Suzuki, S., Ohtsu, T. In Olefin Polymerization Emerging Frontiers, ACS Symposium Series 749, Arjunan P. (ed.), American Chemical Society, Washington, DC, 2000, p. 66. (c) Arai, T., Ohtsu, T., Nakajima, M. Polym. Prepr. Jpn., 48,1666 (1999). [Pg.89]

In this chapter, a brief overview of small-molecule activation by biological active sites and related small-molecule homogeneous catalysts has been provided. The six primary reactions, outlined in the introduction of this chapter (Section 4.5.1), are all carried out by enzyme active sites with remarkable efficiency and specificity. Importantly, all of the enzymes discussed in the preceding sections utilize readily available base metals in order to activate small molecules. This is a key requirement as we look to the needs and challenges of our energy future, which will require not only efficient catalysts, but also scalable and sustainable catalysts. Here, it is clear that there is a gap between what biology can enable and what has been achieved with small-molecule catalysts. While remarkable transformations have been reported for small-molecule catalysts that use noble metals, the documented examples of [Pg.372]

Blankenship RE. Molecular mechanisms of photosynthesis. Oxford Blackwell 2001. [Pg.373]

Ballou DP, Palmer GA. Practical rapid quenching instrument for study of reaction-mechanisms by electron-paramagnetic resonance spectroscopy. Anal Chem. 1974 46 1248-53. [Pg.373]

Bollinger JM, Krebs C. Stalking intermediates in oxygen activation by iron enzymes Motivation and method. J Inorg Biochem. 2006 100 586-605. [Pg.373]

Bollinger JM, Tong WH, Ravi N, Huynh BH, Edmondson DE, Stubbe J. Redox-active amino acids in biology. 1995, 258, 278. [Pg.373]

This has more fundamental consequences as it signals the departure from status protection and a benevolent welfare state to a more basic, means-tested system of social protection and stricter workfare. This is not only a result of the abolition of eamings-related unemployment assistance but also due to the associated cut in maximum duration of unemployment insurance benefits for older workers. [Pg.59]

In empirical terms, this becomes evident in the diminishing role of contribution-based and eamings-related unemployment insurance benefits relative to the number of beneficiaries of means-tested basic income schemes. [Pg.60]

In the foreseeable future, the German activation regime will most probably not be a stable one. One more coherent policy solution implying a general lowering of basic income is virtually ruled out, which is why there is no prominent role for strong in-work benefits (see e.g. Sachverstandigenrat 2006). [Pg.61]

ALMP Aktive Arbeitsmarktpolitik Active Labour Market Policy [Pg.62]

SGB II Sozialgesetzbuch II Second Book of the German Social Security Act [Pg.62]

The applications mentioned demonstrate the potential of membrane reactors for the recovery and repeated use of homogeneously soluble catalysts. For some of the examples a strong increase in the total turnover number has been achieved. First publications indicate that this technique is also being investigated by industry [58]. Due to the additional steps required for coupling as well as for the equipment necessary it might be applicable in the majority to high value-added products. On [Pg.950]

Phase-transfer catalysis (PTC) is the most widely used method for solving the problem of the mutual insolubility of nonpolar and ionic compounds. Basic principles, synthetic uses, industrial applications of PTC, and its advantages over conventional methods are well documented [1-3]. PTC has become a powerful and widely accepted tool for organic chemists due to its efficiency, simplicity, and cost effectiveness. The main merit of the method is its universality. It may be applied to many types of reactions involving diverse classes of compounds. An important feature of PTC is its computability with other methods for the intensification of biphasic reactions (sonolysis, photolysis, microwaving, etc.) as well as with other types of catalysis, in particular, with transition-metal-complex catalysis. Homogeneous metal-complex catalysis under PTC conditions involves the simul- [Pg.953]

The problems of metal-complex catalysis under PTC conditions have been discussed previously in a number of reviews [4-7] and monographs [1-3]. In this section, biphasic reactions in the presence of a PT agent and a transition-metal complex are considered with the emphasis on the most recent results. [Pg.954]

Various aspects of CNPs (mainly focusing on CNTs), including paper fabrication, properties, and applications in devices and engineering, were reviewed in this chapter. The CVD method, floating catalyst and CNT forest, and solution-based deposition for [Pg.392]

Although the performance of devices using CNPs has been demonstrated at the laboratory-scale level for applications, when compared with sdicon or ITO, thin CNP technology is still at its early stage and needs to be substantially improved. With the rapid development of the silicon industry and engineering manufacturing, CNP materials are believed to open a new era in the field of materials. [Pg.393]

Aikawa, S., Einarsson, E., Thurakitseree, T., Chiashi, S., Nishikawa, E., Maruyama, S., 2012. Deformable transparent aU-carbon-nanotube transistors. Applied Physics Letters 100, [Pg.393]

Armitage, N.P., 2004. Quasi-Langmuir—Blodgett thin film deposition of carbon nanotubes. [Pg.393]

Bachtold, A., Henny, M., Terrier, C., Stmnk, C., Schbnenherger, C., Salvetat, J.P., Bonard, J.M., Forro, L., 1998. Contacting carbon nanotubes selectively with low-ohmic contacts for four-probe electric measurements. AppUed Physics Letters 73, 274. [Pg.393]

The experimental data that have accumulated since ca. 1992 have greatly increased the understanding of the interactions between enzymes and SCFs. It is now known that enzymatic reaction rates, substrate selectivity and enantiomeric selectivity can be tailored by altering the type and the density of the SCF. Although CO2 would be the most desirable industrial SCF as reaction medium, it is not suitable for all enzymes. It is an inhibitor for some proteases and lipases [20] but there are other common enzymes, including lipases, which are stable and active in SCCO2. Supercritical hydrocarbons and fluoroform are good and tunable solvents for enzymatic reactions. [Pg.441]

Heterogeneous enzymatic reactions in liquids are often limited by diffusion rates, but there are usually no diffusion limitations in SCFs. Consequently, many enzymatic reactions are considerably faster in SCFs than in liquids. [Pg.441]

The selectivity of enzymes, especially enantiomeric selectivity, can be fully utilized in SCFs. High selectivity can usually be obtained at slightly elevated temperatures when conditions are optimized and conversion is limited to less than the maximum achievable level. The use of extremely low (down to -90 °C) temperatures, often needed for high selectivity in conventional catalysis, may thus be avoided. [Pg.441]

The simplicity and cost efficiency of downstream processing is a major benefit of enzymatic synthesis in SCFs, compared with enzymatic reactions in aqueous or organic solutions. [Pg.441]

Even in SCFs, the enzymatic reaction rates are low compared with inorganic catalysis. Solute concentrations in SCFs also remain lower than in organic solvents. It is thought that enzymatic reactions in SCFs might be commercially utilized in fine chemical synthesis where the high specificity of enzymatic catalysis is required and where the production is limited to a few tons per year. Pharmaceutical producers are the most probable users of the technique. [Pg.443]

Despite this, proven rules for boron clusters can be applied to the smaller metalloid Al, Ga, and In clusters with certain additional assumptions, as recent DFT calculations have shown [87]. In addition, counting rules for smaller Ga and Al metalloid clusters have been developed [123], which will, however, probably not be transferable to the larger clusters. Therefore the first assignment principle presented here for the larger metalloid clusters incorporates the structures of the elements in the various modifications, which means that the metalloid or elementoid clusters are described as nanostructured element modifications. [Pg.162]

The development of the synthesis concept described here for metalloid clusters should ultimately be capable of extension to element combinations and therefore molecular nanostructured alloys, as several results on metalloid SiAl and SiGa clusters have shown [114, 88, respectively]. Such mixed clusters resemble the Zintl-type compounds that are under intense investigation by Corbett et al. [115, 124-126], [Pg.163]

Wiberg, T. Blank, K. Amelunxen, H. Noth, J. Knizek, T. Habereder, W. Kaim, M. Wanner, Eur. J. Inorg. Chem., 2001, 1719. [Pg.164]

Many novel low-energy structures have been found in the present work on the neutral, cationic and anionic PESs of small gold clusters Aus g and on the neutral PES of AU9. On the neutral PES of Aus, we discover two new [Pg.458]

As discussed above, the 2D-3D transition for the neutral clusters occurs at n = 9. For cationic gold atoms, it already develops for odd n = 5 and 7 gold atoms although the ways it does for these two n values are essentially different. For n = 5, the transition is associated to the existence of two nearly [Pg.459]

Finally, anions of the studied gold clusters hardly manifest the 2D-3D transition. The most stable 3D cluster is Au and is reported here for the first time. However, it is much higher in energy (about 21 -23 kcal/mol) than the 2D ground-state one Aug . This conclusion is in full agreement with the earlier findings by Landman and co-workers [14,63]. [Pg.460]

This work was supported by die Region Wallonne (RW. 115012) and used the computational facilities of NIC (University of Liege). [Pg.460]

The last few years have witnessed spectacular advancement in chiral Bronsted acid catalysis. Thiourea and phosphoric acids, in particular, have emerged as novel chiral catalysts of choice in a number of synthetic reactions. A number of chiral alcohols and nitrogen containing materials have been obtained with excellent optical purity in a simple protocol. The scope of the catalysts will be expanded by further study. They are considered to be artificial enzymes. One of the advantages of chiral Bronsted acid over chiral Lewis acid is the stability toward moisture and [Pg.99]

1 (a) McMurry, J. (1996) Organic Chemistry, 4th edn, Brooks/Cole Publishing Company, California, (b) Noyori, R. (ed.) (1999) Daigakuinnk-ougi Yuuidkagaku VoL I and II, [Pg.100]

Sundberg, R.J. (2001) Advanced Organic Chemistry, Part A, Structure and Mechanisms, 4th edn, Kluwer Academic/Plenum Publishers, New York (e) Carey, F.A., Sunberg, R.J. (2001) Advanced Organic Chemistry, Part B, Reactions and Synthesis, 4th edn, Kluwer Academic/Plenum Publishers, New York. [Pg.100]

Sommer, J. Superacids, John Wiley Sons, Ltd, New York P- 1085. [Pg.100]

3 Hall, N.F., Conant, J.B. (1927) Journal of the American Chemical Society, 49, 3047. [Pg.100]

With regards to detection Hmits, both approaches [168, 169] provided comparable results (ca. 400pmol), and therefore both might be useful for routine Hpid analyses. This is particularly tme as surprisingly good mass accuracies (ca. [Pg.303]

Of course, this approach is useful not only for phospholipids but also for gly-colipids. Although this field is beyond the scope of this chapter, these points are discussed on a state-of-the-art level in an excellent review [175]. [Pg.303]

Currently, many different methods of lipid analysis have been established, among which MS techniques have the most significant potential [27]. The choice of the most suitable method depends not only on the suitability of that method to solve problems of interest, but also on the availability of different techniques in the laboratory of the lipid scientist. In the past, many MALDI mass spectrometers have been purchased within the context of proteomics and genomics initiatives hence, a major aim of this chapter was to confirm that these devices are useful not only in the field of polar biomolecules (e.g., proteins) but also of apolar biomolecules (e.g., lipids). Though not yet commonly accepted, MALDI-TOF-MS represents a reliable method for Hpid analysis, with essentially all Hpid classes being capable of analysis in this way, though some are more refractive to a [Pg.303]

Nevertheless, MALDl-MS has important benefits, in that measurements can be made very quickly and conveniently, with only low-level, less time-consuming sample purification being needed, as the procedure can tolerate considerable amounts of impurities, such as salts. Consequently, MALDl-MS has proved useful for the analysis of a large number of samples (in high-throughput screening). Moreover, as and when a suitable device becomes available, MALDl analyses may also be regarded as relatively inexpensive when compared to biochemical assays. [Pg.304]

For the detailed analysis of complex mixtures, a previous separation of the sample into the individual lipid classes is required, however, in the same manner as if a LC/MS process was being used. For this purpose, combined TLC/MALDI may be employed because, when the sample is dispersed in a solid matrix (i.e., the silica gel), it can easily be combined with a MALDl ion source. Thus, MALDI-M S can be expected to become a true alternative to currently established methods of lipid analysis. [Pg.304]

In this chapter we described the nickei-mediated cycioaddition reactions to access aromatic carbocycies and heterocycies. Ni-cataiyzed strategies to produce highiy conjugated aiicyciic compounds have aiso been discussed in detaii. The possibie mechanism for these cycioadditions has been postuiated and discussed. [Pg.69]

Kunisada, N. Nagahama, S. Morikawa, T. Saegusa, Synth. Commun. 1989, 19,1575. [Pg.69]

FIGURE 34. Alkyl functionalization within the pores of COFs provides a method for probing the formation and porous properties of highly analogous materials. [Pg.289]

Beyond planar sheet assemblies, three-dimensional COFs have also been synthesized. The tetrahedral boronic acids used to create porous, hydrogen bonded networks were condensed with 2,3,6,7,10,11-hexahydroxytriphenylene to produce COF-105 and COF-108 (Fig. 35). The resulting materials have a cubic structure with an open pore system. It is interesting that these two COFs do not have identical structures, even though they differ only in that COF-105 has a carbon tetrahedral center and COF-108 has a silicon atom at the tetrahedral centers. While no surface area measurements were reported for these boronate COFs, they were reported as low-density crystals with densities of 0.17 to 0.18 g/cm.  [Pg.289]

Though the earliest references associated with boronate-linked materials date back to the 1950s, it has only been in the last 10-20 years that great strides have been made using these covalent-reversible boronic acid-diol interactions. [Pg.289]

FIGURE 35. Three-dimensional COFs produce low-density crystalline networks with redundant pore connectivity (Reprinted with permission from Ref. 78. Copyright 2007 American Association for the Advancement of Science.) [Pg.290]

Boronate ester formation has proven to be a facile alternative to traditional polymer assembly, given the ease of synthesis and dynamie reversibility to afford error-checking mechanisms during synthesis. Compared to conventional supramolecular polymers, boronate-linked materials display enhanced stability. It is argued that boronate ester formation takes the best from both worlds. [Pg.290]

Macroporous substrates with interconnected voids can be used as platforms for biomacromolecule separation and enzyme immobilization. These assemblies are likely to find application in biocatalysis and bioassays. The inorganic framework can provide a robust substrate, while their large and abundant pores allow the transportation of biomolecules. The availability of various morphologies for macroporous materials provides another level of control over the function of the hybrids. [Pg.233]

Given the significant recent developments in the burgeoning areas of porous materials and self-assembly, we anticipate that, with further development, bioinspired porous hybrid materials will find their way into a range of therapeutic and diagnostic applications. [Pg.233]

Funding from the Australian Research Council (Federation Fellowship and Discovery Project schemes) and the Victorian State Government (STI Initiative) is gratefully acknowledged. Robert Johnson and Alexandra Angelatos are thanked for critical reading of the manuscript. [Pg.233]

1 Soler-illia, G.J.D., Sanchez, C., Lebeau, B. and Patarin, J. (2002) Chemical Reviews, 102, 4093-4138. [Pg.233]

6 Matsui, M., Kiyozumi, Y., Yamamoto, T., Mizuchina,Y., Mizukami, F. and Sakaguchi, K. (2001) Chemistry-A European Journal, 7, 1555-1560. [Pg.233]

For such supramolecular systems, diffusion NMR may be extremely important for the determination of the structure and dynamics of the system. Diffusion is also extremely important in determining the association constant in systems, which on their formation induce a small change in the NMR spectra, and in systems in which chemical shift changes occur for reasons other than complexation, for example when protonation takes place. Diffusion NMR can also easily be used to probe the kinetic stability of multicomponent systems just by monitoring the effect of a small excess of one of the components on the diffusion coefficient of the supramolecular system. [Pg.215]

Until recently, most of the applications of diffusion NMR in the field of supramolecular chemistry concentrated on such systems in solutions, but it seems that this approach should be equally useful for studying the interaction of molecules with surfaces. We believe that the diffusion coefficient, as measured by diffusion NMR, should be added to the arsenal of NMR parameters used to routinely characterize supramolecular systems. The triumph of diffusion NMR will be when it becomes as transparent as other NMR methods. [Pg.216]

The synthetic flexibility of P-diketones has led to an explosion in the developments of related lanthanide complexes and their coordination chemistry. The [)-diketonate lanthanide complexes have been demonstrated to have variable coordination numbers ranging from six to ten, and diverse structural motifs. This family of complexes, having desirable luminescent properties [Pg.83]

This work was financially supported by NSFC (20771016,20971016, and 90922004) and the National Basic Research Program. [Pg.85]

Biinzli, J.C.G (1989) in Lanthanide Probes in Life, Chemical and Earth Sciences (eds J.C.G Biinzli and GR. Choppin), Elsevier, Amsterdam. [Pg.86]

Carlos, L.D., Ferreira, R.A.S., Bermudez, V.Z., and Ribeiro, S.J.L. (2008) Lanthanide-containing light-emitting organic-inorganic hybrids a bet on the futrrre. Advanced Materials, 21, 509-534. [Pg.86]

Tsukube, H. and Satoshi, S. (2002) Lanthanide complexes in molecular recognition and chirality sensing of biological substrates. Chemical Reviews, 102, 2389—2403. [Pg.86]

ROMP techniques have certainly found their place in materials science. This has been made possible by adding well-defined and tolerant initiators to the armor of existing polymerization systems. With these initiators, in particular, ROMP and 1-alkyne polymerization have had an enormous impact on the development of both surface-modified and polymeric materials. Applications in catalysis and separation science have been added to the more traditional ones in optics and electronics. The ongoing developments in organometallic chemistry, in polymer chemistry, and, in particular, in metathesis polymerization will certainly result in the permanent improvement of existing systems and techniques as well as in new applications in many areas of chemistry and materials [Pg.276]

Silk is a remarkable biomaterial that has been optimized by millions of years of evolution. It has serviced human for thousands of years. Applying new functions to nature silk materials now incites the future for modem silk industry. The functional silk will bridge the biomaterials and the functional materials, such as optical materials, magnetic materials. It can be foreseen that functional silk materials can be widely apphed in our life. As mentioned early, this paves the new silk road to the future. [Pg.227]

Silk http //baike.baidu.com/view/ 155926.htm (accessed 06 March 2013). [Pg.228]

The History of Silk http //www.squidoo.com/history-of-silk (accessed 07 June 2013). [Pg.228]

Many thanks to M. C. Timmers for editing. The author is also grateful for assistance from B.P. Nolen, M.R. Cortez, J.I. Abes and the Los Alamos National Laboratory Research Library for obtaining references. [Pg.94]

1 Materials Research for Separations Tech-nalt es Energy and Emission Reduction Opportunities, BCS, Inc. and Oak Ridge National Laboratory, 2005. p. 103. [Pg.94]

Vaenselaar, Sustainable growth and chemical engineering, Chem. Eng. Tech. 2003, 26, 868 74. [Pg.94]

zur Megede, Fuel processors for fuel cell vehicles, J. Power Sources 2002, 106, 35-41. [Pg.94]

Hughes, Composite palladium membranes for catalytic membrane reactors, Membr. Tedmol. 2001, 131(3). 0-13. [Pg.94]

The stringent requirements that are currently placed on synthetic methods go well beyond the traditional ones of chemo, regio, and stereoselectivity, and can be summarized as follows (1) use of simple and affordable starting materials, reagents, and catalysts (2) experimental simplicity (3) possibility of automatization (4) low environmental impact - minimization of the use of organic solvents, atom economy (5) economic considerations - low consumption of energy, raw materials, and human resources and (6) ability to create molecular diversity and complexity from simple and readily available substrates and in the minimum number of steps. [Pg.79]

(2011). Enantioselective synthesis of indole alkaloids from chiral lactams. Synlett, 143-160. [Pg.79]

McLaughlin, N. P., Evans, R, Pines, M. (2014). The chemistry and biology of febrifugine and halofuginone. Bioorganic Medicinal Chemistry, 22, 1993—2004. [Pg.79]

Menendez, J. C. (2011). Brief, efficient and highly diastereoselective synthesis of ( )-pumiliotoxin C based on the generation of an octahydroqninoline precursor via a four-component reaction. Chemical Communications, 47, 10554—10556. [Pg.79]

Hamann, M. T. (2007). Manzamine alkaloids, in Fat-torusso, E., Taglialatela-Scafati, O. (Eds.), Modem Alkaloids Structure, Isolation, Synthesis and Biology. WUey-VCH, Weinheim, Chapter 8. [Pg.79]

In summary, it is possible to take advantage of the optical amplification of water-soluble poly(fluorene)s to design chemical and biological sensors. These assays do not require sophisticated instrumentation and should be applicable to many standard fluorescent assays. Although a great deal of progress [Pg.32]

37 X 10 M, [ascorbic acid] = 2.0 x 10 M. The excitation wavelength is 376 nm and measurements are performed in phosphate buffer (5mM, pH 7.4). Reprinted with permission from [90]. Copyright 2006 American Chemical Society [Pg.33]

GniUet, Polymer Photophysics and Photochemistry (Cambridge University Press, Cambridge, 1985) [Pg.34]

Fukuda, K. Sawada, K. Yoshino, Jpn. J. Appl. Phys. 28, L1433 (1989) [Pg.35]

Schliiter, in Handbook of Conducting Polymers, ed. by T.A. Skotheim, R.L. Elsenbaumer, J.R. Reynolds (Marcel Dekker, New York, 1998), p. 209 [Pg.35]

The use of CuAAC reaction in polymer science has clearly provided very rich dividends both in terms of creating very novel structures and formulating innovative strategies to improve the synthesis of previously studied systems. [Pg.251]

(a) Semiyen, E.R. (2000) Cyclic Polymers, 2nd edn, Kluwer Academic Publishers (b) Tezuka, Y. (2013) Topological Polymer Chemistry Progress of Cyclic Polymers in Syntheses, Properties and Functions, World Scientific. [Pg.253]

(1985) Alternating Copolymers, Plenum Press, New York. [Pg.253]

Azucena, C., Monnereau, L., Beyer, A., Golzhauser, A., Mugnaini, V., Gliemaim, [Pg.253]

Thiol-Based Click Chemistry for Macromoiecuiar Architecture Design [Pg.255]

There are certainly the technical means to transform waste carbon sources into valuable surfactants. In our opinion, further cost reductions and more creative market developments should result in an increased use of biosurfactant or bio-based surfactants. The increased awareness of the consumers of the environmental impact of the products they use is creating the opportunity to explore these alternatives. [Pg.185]

and Jacobson, M. F. (2005) Cruel Oil. Report published online by the Center for Science in the Public Interest, http //www.cspinet.org/pahn/PalmOilReport.pdf. [Pg.185]

Chahener, C. (2003) Soaps and detergents - industry overview. Chem. Mark. Rep., 263, 4. [Pg.185]

Van Hamme, J. D. and Ward, O. P. (2007) Surfactants in microbiology and biotechnology Part 2. Application aspects. Biotechnol. Adv., 25, 99-121. [Pg.185]

Garcfa-Junco, M., De Olmedo, E. and Ortega-Calvo, J. J. (2001) Bioavailability of solid and non-aqueous phase liquid (NAPL)-dissolved phenanthrene to the biosurfactant-producing bacterium Pseudomonas aeruginosa 19SJ. Environ. Microbiol., 3, 561-569. [Pg.186]

The above argumentation leads to the assumption that employees who are exposed to use environments differ in terms of personal characteristics and behaviors from nonuser employees. Similarly, embedded users will be different from users, who are not [Pg.72]

In the first study (see V] I will exclude behaviors from the analysis and focus on how context (e.g. embeddedness in firm and use environment] and personal factors (e.g. use experience and lead usemess] influence individual dispositions (e.g. cognition and innovativeness] of embedded lead users. In the second study (see part VI] I will focus on lead userness of employees as the central concept and model both personal antecedents and behavioral outcomes. In both studies 1 will not measure, to what extent lead users are embedded and socialized into Arms, but regard firm affiliation as given. This follows from my definition of embedded lead users. [Pg.73]

Because of the large uncertainties over the problem of indirect forcing, environmental aerosol research will focus mainly on the quantification and verification of the direct forcing in the near future, and concrete results on direct forcing are expected within a few years. The understanding of indirect forcing, however, will require substantial basic research. Sensitivity studies in the field and in the laboratory must be coupled with cloud process models, including cloud microphysics and aqueous-phase chemistry. [Pg.84]

Marcel Dekker, Inc. 270 Madison Avenue, New York, New York 10016 [Pg.84]

Beyond the first step of process studies and investigations of the spatial and temporal variability of the aerosol, further research must lead to appropriate parameterization of the environmental aerosol to improve global models (53). [Pg.85]

Covert DS, Wiedensohler A, Aalto P, Heintzenberg J, McMurry PH, Leek C. Aerosol number size distributions from 3 to 500 nm diameter in the Aretie marine boundary layer during summer and autumn. Tellus 1996 48B 197-212. [Pg.85]

Most of the sound mechanistic work has been done on processes that involve palladium catalysts. In addition, mechanistic studies are needed to fully understand the more recently developed reactions for the formation of C-C and C-X bonds with nickel, copper, iron, and cobalt catalysts. [Pg.46]

(a) Mitchell, T.N. (1998) in Metal-Catalyzed Cross-Coupling Reactions (eds F. Diederich and P.J. Stang) Ghapter 4, Wiley-VCH Verlag GmbH, Weinheim, pp. 167-202 (b) Mitchell, T.N. (1992) Synthesis, 803-815. [Pg.47]

Pitaval, A. and Echavarren, A.M. (2013) Science of Synthesis Cross Coupling and Heck-Type Reactions, Vol. 1 Chapter 1.3.1, Thieme, Stuttgart. [Pg.47]

Sidechains on the benzene rings, as for example alkyl, alkoxy or dialkylamino groups, enhance the solubility - an effect which is important for the synthesis and processing of the materials. [Pg.517]

In this chapter, the emphasis in materials science is laid on nonlinear optics and electroluminescence however, applications of OPVs and OPEs can be found in many more areas of materials science field-effect transistors (FET), semiconductors (doped), photoconductors, solar cells, photovoltaic devices, optical brighteners, laser dyes, optical switching, imaging techniques, photoresists, liquid crystals, etc. [Pg.518]

The interesting optical, electrical and optoelectronic properties of conjugated oligomers provoked a real boom in investigations in previous years. Nevertheless, many more systematic studies are necessary to reach the ultimate goal of tailored nanoparticles on the molecular basis of conjugated oligomers. [Pg.518]

Over the recent years implicit solvent models have undergone a transition to relatively mature methodology that is now widely employed in molecular dynamics simulations and related applications. Most popular are implicit solvent models based on a decomposition of the solvation free energy into electrostatic and nonpolar components. The electrostatic free energy is typically obtained according to a continuum electrostatics model that is described by Poisson theory or by the more approximate but much more efficient Generalized Born formalism. [Pg.117]

Another direction that needs to be addressed is the rather limiting assumption that cellular environments are largely static. Variations in the effective dielectric constant as a function of both space and time are possible in principle. Future efforts may address how to parameterize and implement fully variable models in an effective manner. [Pg.117]

Finally, implicit models of complex cellular environments are the first step towards developing a comprehensive multi-scale modeling framework for simulating cellular processes in molecular detail and address future challenges in molecular biology. [Pg.117]

Financial support from National Science Foundation CAREER Grant 0447799 and the Alfred P. Sloan Foundation is acknowledged. [Pg.117]

Simonson, T. Implicit solvent models. Biophys. Chem. 1999, 78,1-20. [Pg.118]

In the past two decades AM-AFM has emerged as a powerful tool to study the morphology of liquid drops with nanometer resolution. Various imaging modes have been developed, and the conditions and parameters necessary to ensure reliable, nonperturbative imaging have been identified. The science of wetting phenomena on the nanoscale has greatly benefited from these advancements. Extensive AFM studies of the morphology of nanoscale droplets on a variety [Pg.253]

These remarkable achievements have enriched our understanding of wetting on small scales, while also raising new questions, hopefully to be addressed in the near future, thanks to the increase in sensitivity and resolution of AFM techniques. In particular, the development of high-speed AFM imaging may enable the study of nonequilibrium nanowetting phenomena, a still largely unexplored area. [Pg.254]

Binnig, C. Quate, and C. Gerber, Atomic force microscope, Phys. Rev. Lett., 56, 930 [1986], [Pg.254]

Martin, C. Williams, and H. Wickramasinghe, Atomic force microscope—force mapping and profding on a sub 100-A scale,/. Appl. Phys., 61,4723 [1987). [Pg.255]

Hartmann, van der Waals interactions between sharp probes and flat sample surfaces, Phys. Rev. B, 43, 2404 (1991). [Pg.255]

Rechargeable alkaline manganese cells made according to BTI s RAM technology meet the requirements of the electrical abuse tests as described in the IEC 86-1 International Standard [41], [Pg.81]

The primary manganese dioxide-Zn battery industry still controls the small-battery market. The ratio between batteries and rechargeable batteries is still about 10 1, and although the global battery market will nearly double by the year 2001, this ratio will stay practically the same, because the primary market is estimated to grow by 70 percent (actually stealing only 2-3 percent from the primary market). [Pg.81]

The most important area of R D is currently the development of secondary lithium batteries for consumers. The reason is the focus on smaller and lighter batteries with high drain capabilities for an increas- [Pg.81]

Technologically it is important that smart battery packages, featuring power management by electronic devices within the battery package, are becoming a necessity due to the sensitive charging characteristics of Li and Ni-MeHy batteries, it should be noted that the same principles at a fraction of the cost have been successfully applied realized by simple reversal protection and overflow components by the low-cost RAM batteries. [Pg.81]

However, a smart management of one of the large primary alkaline battery producers may do both, i.e., accelerate the alkaline conversion of the Zn-carbon batteries and at the same time supply the con- [Pg.81]

As shown throughout this article, nickelacycles of general structure 1 can be prepared in a number of ways, mainly by oxidative addition to cyclic anhydrides followed by decarbonylation and by oxidative coupling of CO2/RNCO with alkenes and alkynes. These oxa- and azanickelacycles react by -elimination, oxidation, insertion, and alkylation reactions. Although most of the chemistry uncovered so far requires stoichiometric [Pg.38]

It is expected that, in the future, mesoscale simulations of nanoparticle-cell membrane interactions will become an important tool in the design of nanoparticle-based tools in medicine, agriculture and other areas. As nanoparticle-based drug dehvery, cancer treatment, or imaging methods are proposed, particular attention must be paid to ensure selectivity (i.e. that tumor cells are targeted, while all other cells are left alone). This, in turn, requires not only the correct addition [Pg.348]

One could also expect that mesoscale simulations will become important tool in studies of nanoparticle cytotoxicity. Over the past decade, the number of products containing nanoparticles (i.e. dimensions 100 nm) has increased dramatically. As these nanoparticles are introduced into various media (mainly polymer matrices), they are functionahzed with different Ugands and surfactants to achieve better dispersions. The simulation techniques discussed in this chapter may help to understand, from a quahtative aspect, how the interaction of nanoparticles with cell membranes wiU depend not only on the type of surface modification but also on the particle size and shape. [Pg.349]

Clearly, the theoretical modeling of nanoparticle-ceU interactions is still in its infancy. Nonetheless, it is our hope and expectation that the next few years will see a rapid growth of interest in this topic, together with the development of new techniques and methods. [Pg.349]

These studies were supported by The Dow Chemical Company (V.G. and S.B.) and National Science Foundation (A.B. and K.S.). We are thankful to D. Boverhof, B. Gollapudi, L. Hong, C. Christenson, D. West, E. Occhiello, T. Thompson, M. Debney (Dow), M. Banaszak Holl, B. Orr, P. Leroueil, C. Kelly (University of Michigan), D.M. Jasnow (University of Pittsburgh) and A. Alexeev (Georgia Tech) for helpful discussions, comments and suggestions. [Pg.349]

1 Shenhar, R., Norsten, T.B. and Rotello, V.M. (2005) Polymer-mediated nanopartide assembly structural control and applications. Advanced Materials, 17, 657-69 and references therein. [Pg.350]

The present review has dealt with some recent developments, as well as some old questions, related to the energy loss of ions in solids. We have summarized the most relevant aspects of the process according to the standard Bohr-Bethe-Bloch picture, and have paid special attention to [Pg.74]

The non-linear formulation discussed here provides a new approach to the problem. The model considers the interaction process at a fundamental level, avoiding the usual perturbative expansions or semiclassical approximations. It is based on two main building blocks the quantum transport cross-section method, and the use of self-consistent models to describe the ion screening by the electron gas. [Pg.75]

The model describes the strong quantum effects that dominate the stopping of ions in the low-velocity range, and converges in a natural way to the semiclassical and perturbative models that apply at high energies. [Pg.75]

In addition, there are still some aspects of the present approach that could deserve future consideration, and where various improvements could presumably be made. This may include a revision of the interaction potentials used for partially stripped ions, and perhaps the use of non-spherical potentials for the screening component. [Pg.75]

The non-linear scheme described in this work is implemented in the computer program Histop (Heavy Ions Stopping), which is freely available from the web page indicated in Ref. [61]. [Pg.75]

GaN layers with vicinal surfaces, such as a-plane surface orientations, reveal all information on their IR active phonon modes upon application of GIRSE. Valuable information on the complete dielectric tensor anisotropy and Ai(TO) phonons in GaN, that is otherwise obscured for c-plane-oriented films, is retrieved. The capability of the GIRSE technique to detect spectrally narrow dichroism in nonpolar GaN films under anisotropic strain, thereby allowing to precisely locate the phonon mode resonances for different polarizations, has been demonstrated. As a result, splittings of the GaN i(TO) and i(LO) phonon modes under anisotropic strain have been identified, further splitting of the GaN 2 phonons measured by Raman spectroscopy has been also demonstrated. [Pg.250]

The GIRSE, Raman, and HRXRD analyzes presented here are models for comprehensive and systematic studies of the IR optical properties and can be applied to other nonpolar group III nitride materials, such as AlN, InN, and the ternary alloys, and different material systems, such as wurtzite-structure wide hand-gap oxides, II-VI semiconducting materials, and so on. [Pg.251]

Irene), William Andrew Publishing, Highland Mills. [Pg.252]

Darakchieva, V. Monemar, B. and Usui, A. (2007) Applied Physics Letters, 91, 031911. [Pg.252]

Hiramatsu, K., and Akasaki, I. (1988) Japanese Journal of Applied Physics, 27, L1384. [Pg.252]

With regards to oxidative reactivity, it seems that dicopper(II) end-on peroxo complexes are basic, or nucleophilic, in nature, without oxidizing substrates such as PPha or 2,4-di-tert-butylphenol. Instead, O2 is released and PPhs binds, or deprotonation of the phenol occurs leading to a Cu -hydroperoxide. By contrast, the side-on bound dicopper(II) peroxide and its isoelectronic isomer, the dicopper(III) bis(p-oxo) species, both are electrophilic and have been shown to react with a wide array of substrates, in intramolecular (ligand) oxidations, and intermolecular organic transformations. Our group has extended the oxidative capability of CU2O2 complexes to novel (for copper chemistry) substrates such as tetrahydrofuran and dimethylaniline, which are oxidized to 2-hydroxy-tetrahydrofuran, and methylaniline plus formaldehyde, respectively. [Pg.178]

Humphreys, K. J. Karlin, K. D. In Catalytic Activation of Dioxygen by Metal Complexes , Ed. Simandi L. Kluwer Dordrecht, The Netherlands, 2003, pp. 79-121. [Pg.180]

Yamaguchi, S. Nagatomo, S. Kitagawa, T. Funahashi, Y. Ozawa, T. Jitsukawa, K. Masuda, H. Inorg. Chem. 2003, 42, 6968-6970. [Pg.181]

The examples presented in this section have demonstrated the extensive capability of squaramide to function as an effechve activahon unit for hydrogen-bond donor catalysis. While clearly resembling its well-estabhshed urea and thiourea counterparts, squaramide catalysts clearly perform differently in terms of the cata- [Pg.268]

The developments in the area of enantioselective guanidine and guanidinium catalysis have been reviewed in detail by the Ishikawa, Tan, and Terada groups [129-133]. Moreover, the different mechanisms and modes of activations in guanidine-catalyzed reactions have been reviewed recently by Tan and coworkers [134]. Herein, we wiU discuss the discoveries in the field since 2009. [Pg.271]

With guanidine 52 in hand, the dichloro-furanone derivative underwent the aldol reaction in high yield (90%) and excellent enantioselectivity (99% ee for syrij, albeit in lower syu/anti ratio (77 23). In contrast, when the dibromo-furanone derivative was used, the aldol products were obtained in high yields and high diastereo- and enantioselectivities. [Pg.273]

After many years of emulsion research, several reliable empirical trends in macroemulsion stability to coalescence have been established. The most powerful rules of thumb are (i) the correlation between the surfactant spontaneous curvature and the macroemulsion stability and (ii) the tight monolayer packing concept. Other empirical correlations, HLB scale and Bancroft s rule, can be substantially reduced to these two. In rare cases when the oriented wedge trend and the HLB scale, or Bancroft s rule, disagree, nature usually follows the oriented wedge trend. Thus, Bancroft s rule often fails for nonionic surfactants of the ethylene oxide type below the balanced point, while the oriented wedge trend does not. [Pg.256]

Despite all these shortcomings, the theory seems to be in quantitative agreement with experiment for at least one system studied in detail. Additional experiments with other surfactant systems are quite straightforward to conduct, because the data on the bending moduli, spontaneous curvature and interfacial tensions of several surfactant systems have become available recently. [Pg.257]

A major challenge for experimentalists would be to study the microscopic act of the hole rupture, i.e. hole flickering and propagation. However, the holes are shortlived and the systems are very temperature sensitive, which makes these experiments difficult. [Pg.257]

I am grateful to Hakan Wennerstrom and Reinhard Strey for many discussions on this subject, and to Bernard Binks for a critical reading and careful proof of the manuscript. [Pg.257]

Ivanov, ed., Thin Liquid Films Fundamentals and Applications , Surfactant Science Series, vol. 29, Dekker, New York, 1988. [Pg.257]

Clearly, the quantitative methods for describing binding site similarities, required for large-scale database searches in the spirit of omics efforts, still need to be improved. The development of powerful scoring functions is an area of ongoing research, and hopefully some of the shortcomings will be resolved in the near future. Nevertheless, the examples discussed in this section demonstrate, within the realms of possibility, the usefulness of binding site comparison methods. [Pg.129]

On a molecular level, the binding sites of proteins represent the locations where the functions of a protein take place. In this article, we have reviewed the characteristics and constitutional principles of binding sites from the 3D perspective [Pg.129]

We gratefully acknowledge the invaluable help of Karen Lipscomb with the English and with proofreading. We also thank Dr. Ursula Egner for very stimulating discussions and hints, as well as Drs. Robin Taylor, Hans Briem, and Roman Hillig for useful comments on the manuscript. [Pg.131]

1321 4 Structural Aspects of Binding Site Similarity A References [Pg.132]

Hopkins, C. R. Groom, Ernst Schering Res. Found. Workshop 2003,11-17. [Pg.132]

This chapter points out that surface has become an intersection point of many disciplines of research. While the diverse input is healthy for the development of surface science, it may also be a contributor to the havoc in the literature, where definitions and terminologies are created arbitiarily. This has made surface research messy, and we are urging the community to come up with sets of common language, terminology, and definition so that the communication can be more effective and less confusing. [Pg.132]

McCarthy TJ (2(X)8) Teflon is hydrophilic. Comments on definitions of hydrophobic, shear versus tensile hydrophobicity and wetting characterization. Langmuir 24 9183-9188 [Pg.132]

Chen W, Fadeev AY, Hsieh MC, Oner D, Youngblood J, McCarthy TJ (1999) Ultiuhydrophobic and ultralyophobic surfaces some comments and examples. Langmuir 15 3395-3399 [Pg.132]

Krumpfer JW, McCarthy TJ (2010) Contact angle hysteresis a different view and a trivial recipe for low hysteresis hydrophobic surfaces. Faraday Discuss 146 103-111 [Pg.134]

Cheng DF, Urata C, Masheder B, Hozumi A (2012) A physical approach to specifically improve the mobility of alkane liquid drops. J Am Chem Soc 134 10191-10199 [Pg.134]

Despite the extensive mechanistic studies, there continues to be the need for more work. Many questions remain to be answered. For example, how do asymmetric environments affect the S Ar reaction What factors provide the highest regioselectivity in S Ar reaction When does the jc-complex form and how does it affect the S Ar reaction How does o-complex stability affect the outcome of these synthetic conversions Can electrophiles be generated that show unusual reactivities How do environmentally friendly catalysts affect the S Ar reaction mechanism These and other questions wiU certainly be addressed by research chemists in the decades ahead. [Pg.27]

Relative rates of reaction with toluene (A ) and benzene (Ag) LUMO Lowest unoccupied molecular orbital [Pg.28]

For a closely related conversion involving thiophenes, see Arai, Y, Nakazaki, J., Segawa, H. (2008) Tetrahedron Lett., 49, 5810. [Pg.30]

Although, to date, interface anisotropy has received less consideration in the study of microstructure evolution, it is dear that it plays a critical role in determining the final microstructure of materials. It can be said that a desirable microstructure could only be obtained by a dear understanding of interface anisotropy, and making proper use of it. Today, most theoretical developments relating to interface anisotropy and microstructure evolution remain qualitative in nature, due mainly to the lack of a database on the interface anisotropy of the materials in use. Hence, an extensive accumulation of these data, and a better refinement of theory, should further enhance the present understanding of the microstructure evolution of materials. [Pg.523]

(1951) The deformation and ageing of mild steel III discussion of results. Proc. Phys. Soc. London Sect. B, 64. 747-753. [Pg.523]

(1953) The cleavage strength of polycrystals. J. Iron Steel Inst., 174. 25-28. [Pg.523]

Blatter, G. and Greuter, F. (1986) Carrier transport through grain boimdaries in semiconductors. Phys. Rev. B, 33 (6), 3952-3966. [Pg.523]

(2005) Sintering Dens ication, Grain Growth MicroOructure, Elsevier, Oxford. [Pg.523]

It was found that the technology is mature enough to enter the market with relatively simple first generation products that address interesting market segments. However, it is also clear that mass markets can be reached in the near future, when the expected developments in the fields of material, equipment, processes and device design are achieved. [Pg.10]

Organic electronics has great potential and roadmapping future developments and trends is an ongoing task and key activity of the OE-A and its members. The next update of the roadmap was published in June 2009 at OE-A s annual conference and exhibition LOPE-C - Large-area, Organic and Printed Electronics Convention. [Pg.10]

In addition to an update on technology and application development, emerging application fields such as flexible displays, OLED/electroluminescent lighting and smart textiles will be included. [Pg.10]

Organic electronics is a disruptive technology that is likely to create a wealth of hitherto unimaginable new products-OE-A will keep you updated. [Pg.10]

The chemistry reviewed in this article demonstrates a variety of Ibrmerly-inaccessihle protocols which are now- available that afford C-C bonds in an enantioscleetive manner. However, we are a long way away from having reached a point where sufficiently diverse protocols arc available that will allow us to caialylically and enaniiosc-lcclivcly alkylate a considerable range of alkene substrates with almost any alkylmetal system. To [Pg.135]

For general overview of recent advances in this area, sec Catalytic Asymmetric Synthesis, Ojinia. 1. Fit. VCH Publishers New York Wcinheim. Cambridge 1993. [Pg.135]

Fur representative examples where Tl 11 alters clec-livitv. presumably through its deleterious iiillu-ence on imcrual chelation, sec t.iuiuvnlv mg l.i) [Pg.136]

I-or the Mu-caiah/cd kinetic resoluiion ol 2.2-disiihsiiuucd chrome-lies. see Vamlei Velds. S.I... Jaeohsen. li N. J On 7,cm. 1995.60.53X0- 53x1. [Pg.138]

Stereoselective Additions of Chiral Grignard Reagents to Aldehydes Stereochemical and Mechanistic Principles, with Examples Using a-Amino Grignard Reagents [Pg.139]

If a focused approach is chosen, the success of the screen is directly linked to the most appropriate selection of compound libraries. Multiple strategies are available ranging from structure-based to target-based approaches. With the realization that the quality of the compounds is embedded in their structure or more precisely their physicochemical properties, property prediction and subsequent Altering play a crucial role in implementing quality into the screening set, which in turn will lead to attractive starting points. [Pg.122]

The mentioned strategies to create focused compound sets are also applied when building compound collections. Due to the vastness of chemical space, it will continue to be a valid strategy to add new compounds with predicted advantageous properties. Often, these compounds are selected by their expected activity on novel target classes or by their structural distance from already available compounds. However, after expanding their banks to millions of available compounds major pharmaceutical companies often only screen subsets of their [Pg.122]

As alternative to the use of compound collections in HTS, novel technologies such as DNA-encoded libraries or dynamic combinatorial chemistry have been developed. It will be exciting to see if hits generated with these new tools can be transformed into drugs on the market. [Pg.123]

1 Leeson, P.D. and Davis, A.M. (2004) Time-related differences in the physical property profiles of oral drugs. Journal of Medicinal Chemistry, 47,6338—6348. [Pg.123]

2 Gumming, J.G., Davis, AA4., Muresan, S., Haeberlein, M., and Cheng, H. (2013) Chemical predictive modelling to improve compound quality. Nature Reviews Drug Discovery, 12, 948—996. [Pg.123]

The combination of a chemoselective enzymatic reduction step with another second enzymatic reaction is another opportunity to overcome limitations, for example, in the case of the enantiosdective reduction of prochiral unsaturated aldehydes by coupling a reduction step with an isolated ene reductase (OYE 2 or OYE3) together with an oxidation step with HLADH in a cascade system, which allowed both yields and enantioselectivities to be improved [136]. [Pg.17]

2 Magano, J. and Dunetz, J.R. (2012) Large-scale carbonyl reductions in the pharmaceutical industry. Org. Process Res. Dev, 16, 1156-1184. [Pg.18]

7 Brown, H.C. and Ramachandran, P.V. (1994) Recent advances in the boron route to asymmetric synthesis. Pure Appl. [Pg.18]

10 Wong, C.H. and Whitesides, G.M. (1994) Enzymes in Synthetic Organic Chemistry, Tetrahedron Organic Chemistry Series, voL 12, Pergamon. [Pg.18]

Recent kinetic studies indicate that carbon corrosion can be significant under normal transient operation.56,57,60-62 The rate of voltage change, common in the automotive application, enhances cathode carbon-support corrosion.16 Hence, further model improvement shall be focused on finding the carbon corrosion kinetics associated with voltage cycling. Currently, the relationship between fuel cell performance decay and accumulated carbon-support loss is only empirical.22 More effort has to be made to incorporate mechanisms that can accurately quantify voltage decay with carbon-support loss.31,32 [Pg.83]

The authors thank Dr. Frederick T. Wagner for useful discussions. [Pg.83]

Polydimethylsiloxcme is a versatile material with properties excellent for fabrication of microfluidic systems. The polymer is accessible emd inexpensive. It can reproduce masters with high accuracy md can be molded at low temperatures, enabling rapid prototyping of complex 3D structmes. Native PDMS is hydrophobic but its smface cm be ejisily modified. Particular attention should be p ud to complementary methods of chemical md topographical patterning of PDMS surface, and blending the polymer with nanoscale materials. [Pg.376]

Whitesides, Basic Microfluidic and Soft Lithographic Techniques, in Y. Fainman, L. Lee, D. Psaltis, and Ch. Yang, eds., Optofluidics Fundamentals, Devices and Applications, McGraw-Hill Professional, pp. 7-31 2009. [Pg.376]

SUoxane Surface Activity, in J.M. Zeigler, and F.W.G. Fearon, eds., Silicon-Based Polymer Science A Comprehensive Resource, Advances in Chemistry Series 224, American Chemical Society, pp. 705-735,1990. [Pg.377]

Lahirib, andS. Das, Surf. Interface Anal., Vol. 44, [Pg.377]

Morent, N. De Geyter, F. Axisa, N. De Smet, L. Gengembre, E. De Leersnyder, C. Leys, J. Vanfleteren, M. Rymarczyk-Machal, E. Schacht, and E. Payen, /. Phys. D Appl Phys. Vol. 40, p. 7392,2007. [Pg.377]

The tensorial structure of the spin-orbit operators can be exploited to reduce the number of matrix elements that have to be evaluated explicitly. According to the Wigner-Eckart theorem, it is sufficient to determine a single (nonzero) matrix element for each pair of multiplet wave functions the matrix element for any other pair of multiplet components can then be obtained by multiplying the reduced matrix element with a constant. These vector coupling coefficients, products of 3j symbols and a phase factor, depend solely on the symmetry of the problem, not on the particular molecule. Furthermore, selection rules can be derived from the tensorial structure for example, within an LS coupling scheme, electronic states may interact via spin-orbit coupling only if their spin quantum numbers S and S are equal or differ by 1, i.e., S = S or S = S 1. [Pg.193]

Symmetry considerations are instrumental in a qualitative discussion of spin-orbjt effects. Qualitatively, a phenomenological Hamiltonian of the form Aso Z S suffices. In actual calculations, however, this operator must not be utilized. The operators and S form a basis for a matrix representation of the usual molecular point group. The same is true for the spatial and spin wave [Pg.193]

For the evaluation of probabilities for spin-forbidden electric dipole transitions, the length form is appropriate. The velocity form can be made equivalent by adding spin-dependent terms to the momentum operator. A sum-over-states expansion is slowly convergent and ought to be avoided, if possible. Variational perturbation theory and the use of spin-orbit Cl expansions are conventional alternatives to elegant and more recent response theory approaches. [Pg.194]

Rates for nonradiative spin-forbidden transitions depend on the electronic spin-orbit interaction matrix element as well as on the overlap between the vibrational wave functions of the molecule. Close to intersections between potential energy surfaces of different space or spin symmetries, the overlap requirement is mostly fulfilled, and the intersystem crossing is effective. Interaction with vibrationally unbound states may lead to predissociation. [Pg.194]

Goudsmit and G. Uhlenbeck, Nature (London), 117, 264 (1926). Spinning Electrons and [Pg.196]

This opens a broad field of possible applications where the use of clusters seems to be profitable. It is not the purpose of this chapter to detail specific microelectronic devices, because this would far exceed the knowledge of the author. Here the reader should be guided by other comprehensive reviews. ° According to the ideas outlined there, the following examples could be tentative suggestions as to how to construct simple devices with metal clusters, suitable for experimental examination of SET effects and for special purpose applications (Fig. 12). [Pg.1360]

Single-cluster arrays should be denoted zero-dimensional (OD), because they are built up by means of single quantum dots . As already explained in Section 4.4.4.2 such arrays have already been obtained. This element works as a single electron transistor, which is a key element for various analog and digital circuits. [Pg.1360]

The electrode system connecting the cluster to the outer world must be fabricated by lithographic techniques self-assembly of the clusters into the residual space-gap makes the step down to the molecular scale. Because the properties of the central electrode are adjustable chemically this arrangement could be suitable for the utili- [Pg.1360]

One dimensional arrays of mesoscopic tunnel junctions, built up from clusters, have been treated theoretically (see also Section 4.4.3.2). There are different means of arranging clusters in one dimension, e.g. inclusion into ID channel structures, connection to rod-like molecules, such as DNA strands,or deposition on to preformed substrates. The preparation techniques will cover a broad field ranging from self-assembly or LB techniques, through nanoreactor synthesis, up to electrodeposition. [Pg.1361]

Two-dimensional arrangements might be monolayers of clusters on a suitable substrate or two or more coupled ID arrays. While layers are accessible via self-assembly, LB, or electrodeposition, coupled arrays could be obtained by filling clusters into the parallel channels of a crystalline nanoporous solid. 2D networks of clusters might be precursors for simple neural networks, utilizing the Coulombic interaction between ballistic electrons in a 2D electron gas. This concept has been discussed by Naruse and in general introduces new possibilities for the interconnection approach in various fields, e.g. parallel processing and quantum functional devices. [Pg.1361]

One of the main goals of the predictive calculations of and ox is to establish trends in solvent, salt, additive, and overall electrolyte electrochemical stability that can be used to guide the selection and combination of electrolyte components. Most conveniently, computational results obtained should - in one way or the other - be converted to a relative potential scale, preferentially vs. LP/Li, to ease the comparison of experimental and calculated results. Thus, a grand summary of the work traversed in this chapter would be to present the electrochemical stabilities of the materials covered in this chapter in a master figure relative the LP/Li potential. However, because of the many methods and model approaches implanented, and the different procedures used to project the computational results onto an experimental scale, this would be either a hopeless endeavour or end in an overwhelmingly complex figure. [Pg.436]

Nevertheless, to still attempt something of the sort, a small sub-space of the results presented in this chapter have been collected in Fig. 9.9, in order to visualize a few of the most important conclusions that can be made. As a suitable sub-space the results of Balbuena et al. on the reduction stability of LP-coordinated EC, VC, and PC [11, 37, 38] was chosen, because of the richness of models used and the consistent computation level approach. Balbuena et al. reported their results in both absolute numbers and relative the LP/Li potential. In Fig. 9.9 - we have used the relation adopted by these authors, and created and related the absolute and reference frames in a similar fashion as was made in [92]. [Pg.436]

With Fig. 9.9 as a base we can stress the following (1) Experimental reference results (potentials and relative trends) from different sources are frequently in contradiction, but map out a potential region where reduction or oxidation occurs, [Pg.436]

However, if the synergies among different parts of the electrolyte materials still are poorly understood, as indeed the stams in summary in today, and not converge nicely with increased model and method quality, then we wiU also in the future have large problems in creating reliable predictions of potentials and electrochemical stabilities. [Pg.438]

We do also see a possible drawback with the increased ease of applying computations it might be that some poor studies may result due many more scientists being involved, which either lack battery field knowledge or insight into the strategy-method-model issues. Our modest hope is that the present text may to some extent prevent this from happeiting. [Pg.438]

Over the past few years, intense research on the synthesis and characterization ofnanostructured silicon and germanium electrodes has led to a much better understanding of the electrochemical reaction with lithium, but there is still a long way to go. A summary and outlook of a few key areas is given below  [Pg.90]

Winter, J. 0. Besenhard, Solid State Ionics, 90, 281-287 (1996). [Pg.92]

Graetz, C. Ahn, R. Yazami, B. Fultz, Eiectrochem. Solid-State Lett, 6, A194 (2003). [Pg.92]

Rosenberg, L. Burstein, E. Peled,/. Eiectrochem. Soc., 149, A635-A643 (2002). [Pg.92]

Barnes NR, Davis FJ, Mitchell GR. 1989. Molecular switching in liquid crystal elastomers. Mol Cryst Liq Cryst 168 13 25. [Pg.136]

Baughman RH. 1996. Conducting pol5mer artificial muscles. Synth Met 78 339 353. [Pg.136]

Baughman RH, Cui C, Zakhidov AA, Iqbal Z, Barisd JN, Spinks GM, Wallace GG, Mazzoldi A, De Rossi D, Rinzler AG, Jaschinski O, Roth S, Kertesz M. 1999. Carbon nanotube actuators. Science 284 1340 1343. [Pg.136]

West K, Sommer Larsen P, Skaarup S, Benslimane M. 2003. A conducting polymer artificial muscle with 12% linear strain. Adv Mater 15 310 313. [Pg.136]

Beyer P, Zentel R. 2005. Photoswitchable smectic liquid crystalline elastomers. Macromol Rapid Commun 26 874 879. [Pg.136]

Hydrozirconation of 1-decene with iBuZrCp2CI in the presence of 2 mol% AICI3 [10] The [Pg.139]

The formation of iBuZrCp2Cl in 94% yield was observed by H NMR spectroscopy. To this were added A1C13 (5.5 mg, 0.04 mmol) and 1-decene (0.38 mL, 2.0 mmol) and the resulting mixture was stirred at 50 °C for 3 h. Analysis by 1H NMR spectroscopy indicated the formation of w-C10H2iZrCp2CI (5 = 5.80 for Cp) in 87 % yield, along with 5 % of Cp2ZrCl2 (5 = 5.91). Treatment of the product with iodine (1.14 g, 4.5 mmol) in THF (10 mL) at 0 to 23 °C, followed by standard extractive work-up and bulb-to-bulb distillation (0.5 mmHg, 70—75 °C) afforded 451 mg (84%) of 1-iododecane. [Pg.140]

General procedure for reduction of tertiary amides to aldehydes using the Schwartz reagent [Pg.140]

[(lZ)-l-(Phenylmethylene)-2-heptynyl]sulfinyl benzene [32] To a freshly prepared suspension of Cp2Zr(H)Cl (1.5 mmol) in THF (6 mL) at room temperature under nitrogen, a solution of [(phenylethynyl)sulfmyl]benzene (1.36 mmol) in THF (0.5 mL) was added by means of a syringe. The reaction mixture was then stirred for about 30 min. until the precipitate completely dissolved. To the resulting dear green solution were added Pd(PPh3)4 (0.07 mmol) and l-hexynyl(phenyl)iodonium tosylate (1.36 mmol), and the mixture was stirred for 2 h at ambient temperature. It was then washed with saturated aqueous [Pg.140]

NH4C1 solution (8 mL) and the product was extracted into diethyl ether. The combined extracts were dried with anhydrous MgS04, filtered, and concentrated in vacuo. The residue was purified by preparative TLC (silica gel hexane/AcOEt, 10 1) to give the product (54%). [Pg.141]

Fluorenylmethyloxycarbonyl Hypersensitive Acid-Labile Hexafluoroisopropanol Hydroxy crotonylamide [Pg.188]

Hydroxycrotyl-oligoethylene glycol-n-alkanoyl High Throughput Screening [Pg.188]

International Union of Pure and Applied Chemistry Lithium diisopropylamide Methoxymethyl Molecular Sieves [Pg.188]

N- (3 or 4) - [[4- (Hydroxymethyl) phenoxy] -tert-butyl-phenylsilyl]phenyl pentanedionic acid monoamide Polyethylene glycol Pivaloyl [Pg.188]

Polymer-bound benzyl acrylate REgenerated Michael acceptor) resin [Pg.188]

Through recombinant DNA technology, we have made available microbial C-C-bonding enzymes which are interesting tools for asymmetric syntheses in bioca- [Pg.321]

The supply of the recombinant enzymes is warranted and some enzymes can be obtained in large amounts (in the case of transketolase A more than a million units were gained from a large-scale fermentation) so that even minor, but nonetheless interesting, substrates can be converted. [Pg.323]

We have prepared several chiral and high-priced compounds on a gram scale by transketolase, DXS, or FSA (partly in collaborations with projects B25 and C). Through site-directed mutagenesis, improved biocatalysts (FSA) were obtained, or the substrate range of C-C-bonding enzymes was altered (TKT, DXS). Site-directed mutagenesis also helped to elucidate structure-function relationships at the active sites of enzymes (transketolase, DXS, PPD), when no 3D structures were available. [Pg.323]

In collaboration with Gunter Schneider s group at the Karolinska Institute in Stockholm, the 3D structures of transaldolase and of several of its mutant derivatives have been solved. For the first time, a Schiff base intermediate of an aldolase was analyzed crystallographically. The structure of FSA was solved too, and it was found that the enzyme forms a decameric structure out of two pentamer rings. [Pg.323]

FSA makes it possible to use dihydroxyacetone or hydroxyacetone as a donor compound for aldolization reactions this opens up the field for novel carbohydrate compounds such as 1-deoxysugars which otherwise can be obtained by DXS through a different reaction. [Pg.323]

In this author s opinion, the experimental study of gas-surface dynamics has unfortunately dropped off precipitously in the last several years. There are probably many reasons for this funding vagaries, the dominance of the STM in surface science today, the success of first principles dynamics, etc. However, it is absolutely essential to have the most detailed experiments to benchmark first principles theory. Comparisons for even the simple systems considered here demonstrate that theory is far from fully understood. Hopefully, a new generation of experimentalists/theorists will accept this challenge so that the next status report will make this one obsolete. [Pg.243]

The author wishes to thank his many collaborators and colleagues in this field, almost too numerous to mention. However, special thanks to the collaborators and colleagues at both IBM and Denmark and to Mats Persson, Geert-Jan Kroes, and Bret Jackson who have read parts of this review and offered comments. Nevertheless, the opinions presented here are the sole responsibility of the author. Discussions and arguments with many of the participants in this field, both in print and over many a bottle of wine/beer, and in many parts of the world, over the past 25 years have led to the opinions presented in this review. It has been a fun journey of discovery. Of course since this is still an active research field, some of the concepts/opinions are not yet etched in stone, but hopefully time will prove those presented here to be more fact than fiction. The author also wishes to thank the Alexander von Humboldt foundation for support of visits to Berlin where this chapter was initiated and Bonnie for her patience while this chapter was written. [Pg.243]

Grimblot, A. C. Luntz, and D. E. Fowler, J. Electron Spectrosc. Relat. Phenom 52 (1990) 161. [Pg.252]

Eichler, J. Hafner, M. J. Mehl, and D. A. Papaconstantopoulos, Surface Science 539 (2003) L542. [Pg.252]

Nprskov, T. Bligaard, A. Logadottir, S. Bahn, L. B. Hansen, M. Bollinger, H. Bengaard, [Pg.252]

Egholm Jacobsen, E. van Hellemond, A. R. Moen, L. Camino Vazquez Prado, T. Anthonsen, Tetrahedron Lett., 2003, 44, 8453-8455. [Pg.109]

Greene, P. G. M. Wuts, Protective Groups in Organic synthesis, John Wiley Sons, New York, 1999. [Pg.109]

Solares, R. Brieva, M. Quiros, I. Llorente, M. Bayod, V. Gotor, Tetrahedron Asymmetry, 2004,15, 341-345. [Pg.110]

Chenevert, D. Duguay, F. Touraille, D. Caron, Tetrahedron Asymmetry, 2004, 15, 863-866. [Pg.110]

Acta Chem. Scand., 1996, 50, 697-706. [Pg.110]

Catalytic asymmetric multicomponent reactions have only been available for a few years but have already demonstrated great potential for the efficient synthesis of diverse chiral non-racemic compounds. However, a number of important dial- [Pg.297]

Dondoni, A. Massi, S. Sabbatini, V. Bertolasi, Tetrahedron Lett. 2004, 45, 2381. [Pg.298]

For other examples of benzyUc carbon-carbon cleavage through single electron oxidation, see Baciocchi, E. Bietti, M. Lanzalunga, O. Acc. Chem. Res. 2000, 33, 243. [Pg.59]

RADICAL CATION FRAGMENTATION REACTIONS IN ORGANIC SYNTHESIS [Pg.60]

Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, IN, USA [Pg.61]

Carbon-Centered Free Radicals and Radical Cations, Edited by Malcolm D. E. Forbes Copyright 2010 John Wiley Sons, Inc. [Pg.61]

SCHEME 4.1 Thermodynamic representation of radical cation cycloaddition reaction acceleration. [Pg.62]

Block copolymers are clearly going to be the materials for which an increasing number of nanostructuring strategies will be developed. The tremendous advances [Pg.513]

Ph-Z COOMe K2OsO2(OH)4 (0.5 mol%) DHQD)2PYR (1 mol%) NMO, [omimIPFg] extraction with SCCO2 OH p /X COOMe OH  [Pg.285]

Clearly, catalyst and solvent recycling are highly desirable from both economic and environmental points of view, and the results of the studies described in this chapter have shown that ionic liquids can be used successfully as alternative solvents to immobilize not only metal-based chiral catalysts but also chiral organo-catalysts. The application of ionic liquids in a variety of asymmetric catalyses allows the facile recycling of chiral catalysts, whilst it would also appear that in many cases ionic liquids can cause a stabilization of the catalysts and prevent their decomposition/deactivation. As a result, increased turnover numbers can be achieved. Although, in some cases much higher enantioselectivities are obtained when the asymmetric catalyses are conducted in ionic liquids, the latter approach does not represent a magic solution to the problems associated with catalyst [Pg.285]

Dzyuba, S.V. and Bartsch, R.A. (2003) Angewandte Chemie-International Edition, 42,148. [Pg.286]

9 Guemik, S., Wolfson, A., Herskowitz, M., Greenspoon, N. and Geresh, S. (2001) Chemical Communications, [Pg.287]

10 Barlos K., Gatos D., Kapolos S., Papapho-tiu G., Schaefer W., Wenqing Y., Tetrahedron Lett. 30, 3947-3950 (1989). [Pg.106]

34 Bannwarth W., Huebscher J., Barner R., Bioorg. Med. Chem. Lett. 6, 1525-1528 (1996). [Pg.106]

36 Drinnan N., West M. L., Broadhurst M., Kellam B., Toth L, Tetrahedron Lett. 42, 1159-1163 (2001). [Pg.106]

72 Boehm G., Dowden J., Rice D. C., Burgess I., Pilard J.-F., Guilbert B., Haxton [Pg.107]

97 Liao Y., Fathi R., Reitman M., Zhang Y., Yang Z., Tetrahedron Lett. 42, 1815-1818 (2001). [Pg.108]

Although some promising results have been obtained in asymmetric reduction of [Pg.336]

How many equivalent of hydrogen gas does hydrogenation of pyridine to piperidine need  [Pg.337]

Please write the mechanism of Ir catalyzed asymmetric hydro genation of quinoline derivatives in the presence of iodine. (D. W. Wang, X. B.Wang, D. S.Wang, S. M. Lu, Y. G. Zhou, J. Ors. Chem. 2009, 74, 2780) [Pg.337]

55 For more detailed mechanistic insights, see Legault, C.Y, Charette, A.B., and Cozzi, P.G. (2008) Heterocycles, 76, [Pg.339]

This chapter highlights the recent advances in the area of catalytic asymmetric [l,5]-hydride transfer reactions which have recently emerged as an alternative mediod for the direct functionalization of the C(sp )—H bonds. The intramolecular hydride transfer nature renders the reaction to be a redox-neutral process, thus preventing the use of an external oxidant. The readily occurrence of [Pg.138]

For reviews (a) O. Meth-Cohn and H. Suschitzky, Adv. Heterocycl Chem., 1972,14, 211 (b) O. Meth-Cohn, Adv. Heterocycl Chem., 1996,65,1. [Pg.139]

Asymmetric Functionalization ofC—H Bonds via a Transient Carbon-Metal (C—M) Species [Pg.141]

In 2009, Yu and co-workers wrote a comprehensive review on diastereo-selective and enantioselective C—H bond functionalization by transition metal catalysts, which presented the historical retrospective of this area in an elegant manner. Therefore, in the following sections, we will focus on the discussion of the latest achievements on the catalytic asymmetric C—H bond functionalization via a transient C—M bond (mainly contributions after 2009). The reactions will be classified according to the metal catalyst as well as the mechanistic scenario. Note that asymmetric hydroacylation and hydrovinylation, two important kinds of methods for the functionalization of aldehyde and alkene C—H bonds, will be covered in two separate chapters of this book (Chapters 8 and 9). [Pg.142]

Application of the concepts described in this chapter have formed the basis for many of the fascinating experiments which have been performed with single molecules in condensed matter, the description of which occupies the remainder of Chapter 1. [Pg.27]

Other fascinating future experiments may be contemplated based on the principles and methods presented here. Detailed study of the spectral diffusion process in crystals and polymers will help to eventually identify the actual microscopic nature of the two-level systems. The door is open to true photochemical experiments on single absorbers, quantum optics, and even the possibility of optical storage using single molecules [7]. Future efforts to increase the number of probe-host couples which allow SMS will lead to an even larger array of novel observations. [Pg.28]

One experiment that is now possible would be to use the emission from a single molecule as a light source of sub-nm dimensions for near-field optical microscopy [97]. Of course, this would involve the technical difficulty of placement of the single emitting molecule at the end of a pulled fiber tip or pipette. In all cases, improvements in SNR would be expected to open up a new level of nanoscopic detail and possibly new applications. Because this field is relatively new, the possibilities are only limited at present by the imagination and the persistence of the experimenter and the continuing scientific interest in the properties of single quantum systems in solids. [Pg.28]

In Section 1.2.3 we demonstrate that vibrationally resolved fluorescence emission spectra of single molecules can be recorded with high signal-to-noise ratio. After [Pg.31]

Despite the black appearance of most carbon materials, their future in electrochemical energy applications appears to be really bright  [Pg.274]

The authors would like to acknowledge Dr Julia Melke, Dr Susanne Zils, Joachim Langner, Benedikt Peter, Dr Andre Wolz, Sina Hein, Manoj Krishna, Krystyna Bachtin, and Michael Labza for their valuable input to the manuscript. [Pg.275]

Dresselhaus, M.S. (1997) Future directions in carbon science. Annu. Rev. Mater. ScL, 27, 1-34. [Pg.275]

lijima, S. (1991) Helical microtubules of graphitic carbon. Nature, 354, 56. [Pg.275]

Dubonos, S.V., Grigorieva, I.V., and Firsov, A.A. (2004) Electric field effect in atomically thin carbon films. Science, 306, 666. [Pg.275]

Smart materiab/sysw ) Functional surfaces il Integration) [Pg.409]

One current crash study indicates that a selective, reversible interconnection of the doors, Fig. 8.29, with the surrounding stiff car structure can [Pg.409]

Another idea for an active crash system is an adaptive side intrusion beam that can locally change its stiffness and deformation shape. It is designed with several hinges which can vary their stiffness and friction by integrated linear actuators. Many other ideas are currently evolving which are concerned [Pg.410]

Hybrid High Dynamic Test and Development Racks [Pg.411]

AVC and ASAC solutions like active interfaces for car suspensions or active motor mounts require novel equipment for testing as well as for developing the active components within operative conditions. For this, it is necessary to operate these systems in a frequency range of up to at least several hundred Hz while being mechanically loaded, thus extending the conventional test drive solutions. Only then is it possible to assess the reliability and durability of active systems and components under operational lab conditions as well as to develop the controller and assess the system performance. [Pg.411]

The absence of higher-order peaks may indicate less well-defined crystals than in the homopolymer. In contrast, only an amorphous halo was observed in the WAXS spectrum of the film prepared from the solution of spherical micelles of PFPn- -PFSso-Z -PDMSeoo- These results support the concept that crystallization plays a key role in the formation of cylindrical micelles in PFS block copolymers. [Pg.83]

In conclusion, the well-defined organometallic amphiphilic AB block copolymer of PFS-PDMAEMA and ABC block polymers of PFP-i-PFS- -PDMS were synthesized via anionic ROP approach.  [Pg.83]

As for ABC triblock copolymers of PFP-PFS-PDMS, the PFP block is amorphous because of its atacticity, whereas the PFS block is crystalline at room temperature. These triblock copolymers form micelles in hexane, a solvent selective for the PDMS block. When the PFP block is very short (DP=1 or 6) the polymer forms flexible wormUke micelles. A triblock copolymer with a longer PFP block (DP= 11) forms starUke spherical micelles. Films show a peak in the WAXS spectrum characteristic of a crystalline PFS block for the wormUke structures. There is no evidence [Pg.83]

An interesting and as yet unanswered question for the self-assembly of PFP-PFS-PDMS ABC triblock copolymer is the location of the PFP component in these self-assembled micellar structures. The question is particularly important because the PFP segments present in these materials can coordinate to transition metals. Studies of metal coordination to PFP-Z)-PFS-Z)-PDMS, and the types of nanostructures they form, are ciurently in progress. [Pg.84]

This work was financially supported by the German Research Council (DFG) through SFB623 Molekulare Katalysatoren Struktur und Funktionsdesign. The authors are indebted to Markus Fnders for helpful discussions. [Pg.21]

Proynow, E., Russo, N, Sirois, S., Ushio, and Vela, A, (1995) in Theoretical and Computational Approaches to Interface Phenomena (eds H. Sellers and J. Olab), Plenum Press, New York, p. 817. [Pg.22]

Dedieu, A. (ed.) (1992) Transition Metal Hydrides, VCH Publishers, New York. [Pg.22]

van Leeuwen, P.W., van Lenthe, J.H., and Morokuma, K. (eds) (1994) Theoretical Aspects of Homogeneous Catalysts. Applications of ab initio Molecular Orbital Theory, Kluwer Academic Publishers, Dordrecht. [Pg.22]

V Khavryuthenko, E. Sheka React. Kinet. Catal. Lett, 50, 389 (1993) [Pg.363]

Krauss, E. Amberger, N. Arfsten, P. Blumel, W. Hammon, R. Hopfl, W. Riederer Stoichiometric Reactions with Reduced Phillips Catalysts, in Y. Imamoglu (ed.) Olefin Metathesis and Polymerization Catalyszts, Kluwer Academic Publishers, Dordrecht, 359 (1990) [Pg.364]

Schraml-Marth, A. Wokaun, M. Pohl, H. L. Krauss J. Chem. Soc., Riraday Trans., 87, 2635 (1991) [Pg.364]

Knozinger H, Weitkamp J (1999) Preparation of solid catalysts. Wdey-VCH, Weinheim [Pg.61]

Regalbuto JR (2007) Handbook of catalyst preparation. Taylor Francis, Boca Raton [Pg.61]

Somorjai GA, Park JY (2008) Colloid science of metal nanoparticle catalysts in 2D and 3D structures. Challenges of nucleation, growth, composition, particle shape, size control and their influence on activity and selectivity. Top Catal 49 126-135 [Pg.61]

Park J, Aliaga C, Renzas JR, Lee H, Somorjai G (2009) The role of organic capping layers of platinum nanoparticles in catalytic activity of CO oxidation. Catal Lett 129 1-6 [Pg.61]

Kuhn JN, Tsung C-K, Huang W, Somorjai GA (2009) Effect of organic capping layers over monodisperse platinum nanoparticles upon activity for ethylene hydrogenation and carbon monoxide oxidation. J Catal 265 209-215 [Pg.61]

An inclusion can be also captured at a nearly fiat interface by an overgrowth or embedding mechanism as discussed by Chernov [15]. He estimated a critical interface rate for inclusion or gas bubble incorporation depending on the particle [Pg.95]

Due to the relatively poor thermal conductivity and low yield stresses of III-V and II-VI compounds, as compared with Ge and Si, it is not possible to reduce the thermal stresses to a suffidently low level to avoid dislocation multiplication. However, recent developments in vertical gradient freeze techniques have produced a marked reduction ofdislocation density in undoped GaAsand InP. InVGF growth the establishment of a uniaxial heat flow has led to minimum dislocation densities below 10 cm and 10 cm in 4-inch undoped and Si-doped GaAs crystals, respectively. [Pg.96]

Hurle 1991, in Sir Charles Frank an Eightieth Birthday Tribute (Eds. R.G. Chambers, J.E. Enderby, A. Keller, A.R. Lang, J.W. Steels, H.H. Wills), Adam Hilger Publishers, Bristol 188-206. [Pg.96]

Scheel, 2006, Theoretical and technological solutions of the striation problem , J. Cryst. Growth 287, 214-223. [Pg.97]

Rudolph, 1998, Elements of thermodynamics for the understanding and design of crystal growth processes . Mater. Sci. Forum 276-277, 1-26. [Pg.97]

Since 2008, visible-light-induced photocatalysis has experienced vigorous development in hopes of its utilization as a green chemistry technique. Through [Pg.443]

Lednicer, D. (2008) Strategies for Organic Drug Synthesis and Design, [Pg.444]

Since the mid-2000s, biocatalysis has been demonstrated to be a very powerful tool for the preparation of optically active sulfoxides using mild conditions. Among all the biocatalysts employed for the preparation of chiral sulfoxides, in particular flavo-enzymes have proven their efficiency. Flavoprotein oxidases have been employed as [Pg.162]

Rajesh Kumar, Carlos Martinez, Van Martin, and John Wong [Pg.165]

Biocatalysis Center of Emphasis, Chemical R8sD, PharmaTherapeutics Pharmaceutical Science, [Pg.165]

Recent advances in biotechnology, also described as the third wave of biocatalysis by Bomscheuer et al. [6], have made available numerous whole-genome sequences leading to a dramatic increase in the number of potentially available enzymes. [Pg.165]

In addition, the ability to modify enzymes via enzyme engineering to meet process targets, such as activity, selectivity, substrate specificity, enzyme stability, and loadings, has made enzymes more suitable for industrial manufacturing [7]. [Pg.165]

In the higher photon energy region, a broad maximum B1 slightly above [Pg.169]

These results demonstrate that atomic hydrogen is able to stabilize the InP(001)(2 X 1) surface reconstraction under growth conditions (as well as in UHV). Similar surface stractures have also been reported for GaP(001)(2 x 1) [162-165]. [Pg.169]

In this chapter, we have discussed the structure formation of compound semiconductor surfaces, mainly on the basis of binary III-V compounds. We have explained the fundamental mechanism behind the surface formation, the electron counting rule, and have given a number of different examples for real-surface structures. In this respect, it was discussed how orientation, stoichiometry, defects, and strain influence the atomic and electronic stracture of real surfaces. A broad range of different compound semiconductor materials was discussed, as they demonstrate important materials for appHcations in various fields of electronics and optoelectronics. We also took a brief look on the way such semiconductor materials are fabricated and how the growth process could possibly influence the semiconductor surface structure. [Pg.169]

UHV-based surface structures are important to understand surface formation mechanisms, but applications deal with surfaces in interaction with reactive adsorbates, that is, gas/solid or liquid/solid interfaces. This interplay needs to be studied still in much more detail only a few steps toward an understanding of real surfaces, that is, by in situ optical probes, have been taken so far for compound semiconductors. [Pg.170]

Pauling, L.N. (1939/1960) The Nature of the Chemical Bond, Cornell Univ. Press Ithaca, New York. [Pg.170]

The structural properties have been correlated with the electrochemical performance of the positive electrode materials. It appears that a severe control of synthesis conditions is needed to obtain materials with good performance under high current density. [Pg.256]

The product reacts with water, but not with dry atmosphere, so that storage of the LFP powder in a dry chamber at 5 % relative humidity is needed, which is sufficient to guarantee that the product does not age before manufacturing the battery. The carbon coat is not protective. Exposure to humidity induces deUthiation of the surface layer. However, the resulting FeP04 layer that is formed within minutes of exposure to humidity is very protective, so that the damage remains limited to the surface layer (about 3 nm thick) unless the time of exposure to humid atmosphere is very large (months). [Pg.256]

All these researches justify the use of the LiFeP04 material as a cathode element in new generation of lithium secondary batteries operating for powering hybrid electric vehicles and full electric vehicles, and also to store the energy from windmills or photoelectric plants to solve the intermittence problem on smart grids. [Pg.256]

Only the phosphate polyanion has been considered here. For completeness, we can also mention a pyrophosphate, Li2CoP20g, considered as a 4.9 V cathode [218]. This pyrophosphate crystallizes in the monoclinic structure (P2 lc S.G.), in which Li occupies five sites two are tetrahedraUy coordinated, one forms bipyra-midal sites, and two Li share them occupancy with Co bipyramids. The material synthesized using a two-step solid-state method delivered a discharge capacity of ca. 80 mAh g at C/20 rate, which illustrates the superiority of the phosphate compounds as active cathode elements. The fluoro-polyanionic compoxmds, however, deserve a special attention, and the next chapter is devoted to them. [Pg.256]


VIII. Water/Membrane interfaces IX. Summary and Outlook References... [Pg.348]

In the next section we describe the basic models that have been used in simulations so far and summarize the Monte Carlo and molecular dynamics techniques that are used. Some principal results from the scaling analysis of EP are given in Sec. 3, and in Sec. 4 we focus on simulational results concerning various aspects of static properties the MWD of EP, the conformational properties of the chain molecules, and their behavior in constrained geometries. The fifth section concentrates on the specific properties of relaxation towards equilibrium in GM and LP as well as on the first numerical simulations of transport properties in such systems. The final section then concludes with summary and outlook on open problems. [Pg.511]

Recent results have been summarized in a number of articles, especially in this journal.17-19 This review will focus on newly developed HMBC pulse sequences and application on small to medium-sized organic molecules. After a short introduction into basic theory, a selection of pulse sequences and a look at the large variety of applications will complete the overview of the HMBC experiment. Finally, a brief summary and outlook to future perspectives of HMBC will be given. [Pg.296]


See other pages where Outlook and Summary is mentioned: [Pg.378]    [Pg.340]    [Pg.317]    [Pg.629]    [Pg.35]    [Pg.35]    [Pg.394]    [Pg.81]    [Pg.81]    [Pg.23]    [Pg.55]    [Pg.59]    [Pg.79]    [Pg.80]    [Pg.123]    [Pg.188]    [Pg.265]    [Pg.187]    [Pg.648]    [Pg.112]    [Pg.137]    [Pg.550]    [Pg.551]    [Pg.65]    [Pg.98]    [Pg.191]    [Pg.212]    [Pg.278]    [Pg.137]    [Pg.154]    [Pg.186]    [Pg.247]    [Pg.13]    [Pg.333]    [Pg.503]    [Pg.505]    [Pg.507]    [Pg.509]    [Pg.511]    [Pg.513]   


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Summary and Future Outlook

Summary and Outlook for Chemoinformatically Driven Lead Generation

Summary and Outlook for the Future

Summary, Conclusions and Outlook

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