Structural spectroscopic analyses

Besides synthesis, current basic research on conducting polymers is concentrated on structural analysis. Structural parameters — e.g. regularity and homogeneity of chain structures, but also chain length — play an important role in our understanding of the properties of such materials. Research on electropolymerized polymers has concentrated on polypyrrole and polythiophene in particular and, more recently, on polyaniline as well, while of the chemically produced materials polyacetylene stih attracts greatest interest. Spectroscopic methods have proved particularly suitable for characterizing structural properties These comprise surface techniques such as XPS, AES or ATR, on the one hand, and the usual methods of structural analysis, such as NMR, ESR and X-ray diffraction techniques, on the other hand. 

It is a supposition that the )9-sheet structure of neurotoxin is an essential structural element for binding to the receptor. The presence of -sheet structure was found by Raman spectroscopic analysis of a sea snake neurotoxin (2). The amide I band and III band for Enhydrina schistosa toxin were at 1672 cm and 1242 cm" respectively. These wave numbers are characteristic for anti-parallel -sheet structure. The presence of -sheet structure found by Raman spectroscopic study was later confirmed by X-ray diffraction study on Laticauda semifasciata toxin b. 

Imidates 60 were prepared in two steps by first reacting nitrile derivatives with various alcohols. The condensation of the obtained iminoester with appropriate acetyl chloride resulted in the formation of the title compounds 60a-c (Scheme 12). The structures of the products 60 were elucidated by means of spectroscopic analysis. 

Haliclonacyclamine E (13) and arenosclerins A (14), B (15), and C (16) have been isolated from the marine sponge Arenosclera brasiliensis, endemic in Brazil. Crude extracts of this sponge displayed potent cytotoxic and antibiotic activities, and were subjected to fractionation by sihca-gel flash chromatography, medium pressure chromatography on a SiOH cyanopropyl-bonded column, and reversed-phase Cis column chromatography to give compounds 13-16 [18]. The structure elucidation was based on spectroscopic analysis, including HRFABMS, COSY, HSQC, HSQC-TOCSY, and HMBC NMR... 

Comparative Evaluation of Related Compounds. Structural studies are incomplete, but NMR and gas chromatographic - mass spectroscopic analysis of a component (fraction 7) isolated by HPLC indicated biphenyl characteristics (30). In an attempt to evaluate the cytolytic effect of compounds with similar structure, 4-hydroxybiphenol and 2-hydroxybiphenol were tested for lytic effects on P. brevis. Bioassays of 2- and 4-hydroxybiphenol indicated that both compounds were cytolytic to P. brevis (31). 

Experimental information on the complexes between dihalogens and methylated amines is still comparatively scarce. Gas-phase investigations are available only for the complexes of trimethylamine with F2 [41 ] and with C1F [42], So far only a few theoretical investigations on XY- amine complexes have been presented [16,17,22,24,28,32,34,43,44]. On the basis of rotational spectroscopic analysis, the N(CH3)3 C1F complex was described as being dominated by a significant contribution of an ionic [(CH3)NC1]+- -F valence bond structure [41]. For the (CH3)3N F2 complex an even stronger tendency toward an ionic [(CH3)NF]+- F structure was reported [40]. 

Symmetrical cyanine dyes, because of the resonance shown in Figure 6.4 (in which the two contributing structures are exactly equivalent), are completely symmetrical molecules. X-ray crystal structure determinations and NMR spectroscopic analysis have demonstrated that the dyes are essentially planar and that the carbon-carbon bond lengths in the polymethine chain are uniform. The colour of cyanine dyes depends mainly on the nature of the terminal groups and on the length of the polymethine chain. The bathochromicity of the dyes is found to increase... 

Spectroscopic and Structural Parameters Obtained from the Analysis of the FTIR, Isotropic, and Anisotropic Raman Spectra of Trialanine at the PD Indicateda... 

It has been widely accepted that the carbene-transfer reaction using a diazo compound and a transition metal complex proceeds via the corresponding metal carbenoid species. Nishiyama et al. characterized spectroscopically the structure of the carbenoid intermediate that underwent the desired cyclopropanation with high enantio- and diastereoselectivity, derived from (91).254,255 They also isolated a stable dicarbonylcarbene complex and demonstrated by X-ray analysis that the carbene moiety of the complex was almost parallel in the Cl—Ru—Cl plane and perpendicular to the pybox plane (vide infra).255 These results suggest that the rate-determining step of metal-catalyzed cyclopropanation is not carbenoid formation, but the carbene-transfer reaction.254... 

Analyses by native polyacrylamide gel electrophoresis and circular dichroism (CD) spectroscopy revealed that spontaneous coiled-coil associations between EGF-E5-His and EGF-K5-His promoted heterodimer (dEGF-His) formation. The CD spectroscopic analysis suggested that the E5 peptide in monomeric EGF-E5-His had a disordered structure. However, the ot-helical structure was induced in the E5 peptide when it associated with EGF-K5-His. These findings are shown schematically in Fig. 6. 

One example of a cocrystal containing BEDT-TTF and ferrocene has been reported [104]. The [(BEDT-TTF Cgob lferrocene) adduct was crystallized from a carbon disulfide solution. The unit cell has been determined by single crystal X-ray diffraction but the crystal structure was not reported. An infrared spectroscopic analysis indicates that the charge transfer between the BEDT-TTF and C6o molecules is quite small. It has been suggested that such complexes may offer a means to introduce iron into the fullerene lattice. 

C NMR spectra were reported for the structural determination of many perhydro derivatives. In some cases, the stereochemistry has been established by spectroscopic analysis <2005JA14586, 2001JFC275>. 

Pohl, E., Haller, J.C., Mijovilovich, A., Meyer-Klauke, W., Garman, E. and Vasil, M.L. (2003) Architecture of a protein central to iron homeostasis crystal structure and spectroscopic analysis of the ferric uptake regulator, Molec. Microbiol., 47, 903-915. 

Chapter 4 - Propolis has been used for as a traditional medicine in Eastern Europe as an antifungal, antimicrobial, antiviral, anti-inflammatory, and anticarcinogenic agent. The author isolated three cinamic acid derivatives and one flavanol derivative from Brazilian propolis and determined their structures by spectroscopic analysis. Results were assayed, the anticancer drug potential of these compounds to identify new drug candidates, by determining the... 

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