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1.
Solvent Influence on Cellulose 1,4‐β‐Glycosidic Bond Cleavage: A Molecular Dynamics and Metadynamics Study
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Claudia Loerbroks Eliot Boulanger Prof. Dr. Walter Thiel 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(14):5477-5487
We explore the influence of two solvents, namely water and the ionic liquid 1‐ethyl‐3‐methylimidazolium acetate (EmimAc), on the conformations of two cellulose models (cellobiose and a chain of 40 glucose units) and the solvent impact on glycosidic bond cleavage by acid hydrolysis by using molecular dynamics and metadynamics simulations. We investigate the rotation around the glycosidic bond and ring puckering, as well as the anomeric effect and hydrogen bonds, in order to gauge the effect on the hydrolysis mechanism. We find that EmimAc eases hydrolysis through stronger solvent–cellulose interactions, which break structural and electronic barriers to hydrolysis. Our results indicate that hydrolysis in cellulose chains should start from the ends and not in the centre of the chain, which is less accessible to solvent. 相似文献
2.
Walter Benz 《Monatshefte für Mathematik》2004,141(1):1-10
The lines of euclidean and hyperbolic geometries are characterized as metric lines in the sense of Blumenthal–Menger, and the lines of spherical and elliptic geometry as periodic ones. In euclidean geometries there do not exist periodic lines. 相似文献
3.
Hans-Rudolf Buser Michael Oehme Walter Vetter Bernd Luckas 《Fresenius' Journal of Analytical Chemistry》1993,347(12):502-512
Summary Conventional electron ionization (EI) mass spectrometry (MS) and MS/MS techniques were applied to the analysis of two abundant octa and nonachlorobornanes isolated from seals of the Baltic sea and originating from technical toxaphene. The exact sterical structures of the two compounds were previously determined using nuclear magnetic resonance (NMR) spectroscopy by two independent research groups. The MS and MS/MS data generated in this study allowed partial structure elucidation of these polychlorobornanes, in particular revealing the distribution of the Cl substituents between the six-membered carbon ring, the bridge and the bridgehead in the parent bornane structure. Fragmentation of the six-membered carbon ring and the bridge by retro-Diels-Alder (RDA) and related mechanisms was discovered by studying specific parent/daughter ion transitions. The detailed fragmentation pathways formulated may be applicable to the structure elucidation of other toxaphene congeners and the monitoring of strategic transitions is highly selective for the detection of these compounds in technical toxaphene and in environmental samples. 相似文献
4.
Douglas R. White Jason Owen-Smith James Moody Walter W. Powell 《Computational & Mathematical Organization Theory》2004,10(1):95-117
Social action is situated in fields that are simultaneously composed of interpersonal ties and relations among organizations, which are both usefully characterized as social networks. We introduce a novel approach to distinguishing different network macro-structures in terms of cohesive subsets and their overlaps. We develop a vocabulary that relates different forms of network cohesion to field properties as opposed to organizational constraints on ties and structures. We illustrate differences in probabilistic attachment processes in network evolution that link on the one hand to organizational constraints versus field properties and to cohesive network topologies on the other. This allows us to identify a set of important new micro-macro linkages between local behavior in networks and global network properties. The analytic strategy thus puts in place a methodology for Predictive Social Cohesion theory to be developed and tested in the context of informal and formal organizations and organizational fields. We also show how organizations and fields combine at different scales of cohesive depth and cohesive breadth. Operational measures and results are illustrated for three organizational examples, and analysis of these cases suggests that different structures of cohesive subsets and overlaps may be predictive in organizational contexts and similarly for the larger fields in which they are embedded. Useful predictions may also be based on feedback from level of cohesion in the larger field back to organizations, conditioned on the level of multiconnectivity to the field. 相似文献
5.
Synthesis and Properties of the Layered Perovskite Phase Sr3Mo1.5Zn0.5O7‐δ The new layered perovskite phase Sr3Mo1.5Zn0.5O7‐δ was synthesized by solid state reaction using a Zn/ZnO oxygen buffer. The crystal structure was refined from X‐ray powder pattern by the Rietveld method. The compound crystallizes tetragonal in the space group I4/mmm (no. 139) with the lattice parameters a = 3.9631(3) Å, c = 20.583(1) Å. An oxygen deficiency corresponding to δ ≈ 0.25 was determinated, indicating the presence of molybdenum in mixed valence (Mo4+ and Mo6+). 相似文献
6.
Walter Benz Hamburg 《Results in Mathematics》2003,44(1-2):41-43
It will be proved that the functional equation of periodic lines has no solution for hyperbolic distances. 相似文献
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We investigate function spaces of generalised smoothness of Besov and Triebel–Lizorkin type. Equivalent quasi-norms in terms
of maximal functions and local means are given. An atomic decomposition theorem for this type of spaces is proved.
Mathematics Subject Classification (2000) 46E35 相似文献
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