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Milestoning method

The Milestoning method also coarse-grains pathways in a one-dimensional model, but is non-Markovian. [Pg.421]

The milestoning method provides a non-Markovian model for the kinetics because it contains the explicit time dependence of the distribution, which does not have to be exponential [196]. Milestoning also does not depend on the separation of timescales that most of the other methods take as a starting point. [Pg.211]

The milestoning method can be extended to more than one order parameter. Fiber and coworkers have applied the method to biomolecular systems [196,197]. For a conformational transition of alanine dipeptide, they found an order of magnimde efficiency enhancement with respect to straightforward MD. [Pg.211]

This chapter is not a systematic account of the history of electrochemistry, nor does it give detailed descriptions of all the contributions made by numerous scientists who have worked in the field. The main objective of the chapter is to outline the most important milestones in the development of electrochemistry and to show the relationship between the development of electrochemistry and other sciences. At all stages of the development of electrochemistry, an intimate connection existed between the development of theoretical concepts and the discovery of methods for a practical application of electrochemical processes and phenomena. [Pg.693]

Finally some additional milestones in organization, research and development of RMs need to be mentioned. The large increase in the number of reference materials being produced led in 1975 to the formation of an ISO Council Committee on Reference Materials (ISO-REMCO) charged with the establishment of international guidelines on principles of certification, methods of use, needs, availability and nomenclature (Klich 1999), see also Sections 1.2 and 1.3. [Pg.6]

The discovery of the decay chain, of course, started with the seminal work of Marie Curie in identifying and separating Ra. Through the work of the Curies and others, all the members of the decay chain were identified. An important milestone for geochronometrists was the discovery of °Th (called Ionium) by Bertram Boltwood, the Yale scientist who also made the first age determinations on minerals using the U-Pb dating method (Boltwood in 1906 established the antiquity of rocks and even identified a mineral from Sri Lanka-then Ceylon as having an age of 2.1 billion years )... [Pg.661]

This textbook presents a comprehensive overview of some of the milestones that have been achieved in batch process integration. It is largely based on mathematical techniques with limited content on graphical methods. This choice was deliberately influenced by the observation made in the foregoing paragraph, i.e. in order to handle time accurately mathematical techniques seem to be more equipped than their graphical counterparts. The book is organised as follows. [Pg.291]

C.A. Wijayawardhana, H.B. Halsall, and W.R. Heineman, Milestones of electrochemical immunoassay at Cincinnati. Electroanalytical Methods for Biological Materials 329-365 (2002). [Pg.163]

The first ever reported molecule to undergo encapsulation was fullerene, which spontaneously and accidentally ended up in the tubes during post-processing of raw tubes prepared via the pulsed laser vaporization method. This could be considered a milestone in the self-assembling of a new class of nanomaterials [78]. [Pg.60]

The next important milestone in CE was achieved in 1984, when Terabe et al. described the method of micellar electrokinetic capillary chromatography (MECC or MEKC). By simply adding a surfactant to the separation buffer electrolyte, it was possible to separate both charged and neutral compounds simultaneously in CE. Erom this point on, the technique developed rapidly with many applications resulting in a demand for identification information. Coupling of CE to mass spectrometry was a next challenge and the... [Pg.11]

Chalmers I. Comparing like with like some historical milestones in the evolution of methods to create unbiased comparison groups in therapeutic experiments. Int J Epidemiol 2001 30 1158-64. [Pg.308]

The implementation of Gaussian 98 and the introduction of mnch faster computers coincided with the rise of the Gl, G2 and CBS-Q methods, another milestone in computational chemistry, since chemical accuracy was now available for compounds up to six heavy atoms. Currently, the G3 and CBS-Q methods can treat systems up to ten heavy atoms without too much difficulty, affording bond energies in most cases within l-2kcalmoC accuracy. [Pg.4]

Among the classic methods for the extension of the aldose chain by one carbon atom from the reducing end [9J, the Kiliani-Fischer cyanohydrin synthesis [10] is a milestone in carbohydrate chemistry. However after 110 years from discovery and numerous applications [11], including the preparation of carbon and hydrogen isotopically labeled compounds for mechanistic and structural studies [12], there are still several drawbacks that make the method impractical. These are the low and variable degree of selectivity and the harsh reaction conditions that are required to reveal the aldose from either the aldonic acid or directly from the cyanohydrin. Synthetic applications that have appeared in recent times confirmed these limitations. For instance, a quite low selectivity was registered [13] in the addition of the cyanide ion to the D-ga/acfo-hexodialdo-l,5-pyranose derivative 1... [Pg.174]

The high reactivity of di- and trinitrophenyl fluorides towards nucleophiles has been used for the arylation of various N-nucleophiles. A method was developed for the determination of N-terminal amino acids in peptides. Thus, nucleophilic attack of the amino acid nitrogen at Sanger s reagent (2,4-dinitrophenyl fluoride, 4), hydrolysis and subsequent analysis of the N-(2,4-dinitrophenyl)amino acid allows determination of the amino acid.162,163 Although this method has been replaced by more efficient procedures, it marked a milestone in the elucidation of peptide structures (Nobel Prize 1958). A variety of N-nuclcophilcs (no amino acids) which have been used in the nucleophilic substitution of 2,4-dinitrophcnyl fluoride is listed. [Pg.456]

The role of graphical methods to represent angular momentum, 3 nj- and jm-coefficients was emphasized in the Introduction as one of the most important milestones in the theory of many-electron atoms and ions. [Pg.63]

In their milestone work, Melander and Hussain found that the method of complex helical wave decomposition was instrumental in modeling both laminar as well as turbulent shear flows associated with coherent vortical structures, and revealed much new important data about this phenomenon than had ever been known before through standard statistical procedures. In particular, this approach plays a crucial role in the description of the resulting intermittent fine-scale structures that accompany the core vortex. Specifically, the large-scale coherent central structure is responsible for organizing nearby fine-scale turbulence into a family of highly polarized vortex threads spun azimuthally around the coherent structure. [Pg.535]

Another example is the application of the Jones-Marres silver method for rapid staining of fungi in the brain tissue of immunocompromised patients (Boon et al., 1998). This procedure can be carried out using the MicroMED BASIC microwave lab station (Milestone, s.r.l., 24010 Sorisole, Italy). The lab station has software for reliable control of power, time, and temperature using infrared temperature control for no-touch temperature determination. It also has a 360-degree rotation carousel (no hot spots) and produces printouts of the temperature and power levels used during various microwave steps. [Pg.136]

For about 90 years, we assist to the emergence and the development of analytical chemistry, in which voltammetry occupies a central place. During this period, many electrochemical methods have been proposed to improve the performances, and simple and effective equipments have been designed, developed and marketed. The milestones of these progresses are summarized in Table 8.1. Lastly, theoretical treatments allowed to establish the general laws, giving the equations that connect various experimental parameters to the concentrations. [Pg.163]

Gosse JC, Stone JO (2001) Terrestrial cosmogenic nuclide methods passing milestones toward paleo-altimetry. EOS Trans Am Geophys Union 82 82, 86-89... [Pg.278]


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See also in sourсe #XX -- [ Pg.382 ]




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Milestoning

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