Results 331 to 340 of about 4,904,917 (369)

Hyaluronates: Relation between Molecular Conformations

Science, 1973
The discovery that both potassium and sodium salts of hyaluronic acid can exist in a double-strand helical conformation that will convert to the already known single-strand helical structures illustrates the remarkable conformational versatility of this biopolymer. X-ray diffraction was used to monitor variations in molecular conformation as a function
E D, Atkins, J K, Sheehan
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Molecular Signal Transduction by Conformational Transmission

ChemInform, 2003
AbstractFor Abstract see ChemInform Abstract in Full Text.
Ulrich Koert, Rolf Krauss
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Molecular Conformation-Dependent Mechanoluminescence: Same Mechanical Stimulus but Different Emissive Color over Time.

Angewandte Chemie, 2018
A phenothiazine derivative of FCO-CzS with changeable mechanoluminescence is reported, which, upon continuous mechanical stimulus, shows mechanoluminescent emission from blue to white and yellow. Careful analysis of the experimental results, coupled with
Jie Yang, Jianwen Qin, Peiyao Geng, Jia-qiang Wang, Manman Fang, Zhen Li   +5 more
semanticscholar   +1 more source

Sampling of molecular conformations by molecular dynamics techniques

Molecular Physics, 1993
In this paper we compare two different sampling methods for probing the distribution of conformations of a flexible molecule. The first method makes use of a form of umbrella sampling which effectively enhances the crossing of energy barriers. The second method, the so-called blue moon ensemble, is based on the use of an holonomic constraint which ...
Ciccotti, Giovanni, Depaepe, Jean-Michel, Paci, E., Ryckaert, Jean-Paul   +3 more
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Molecular Conformation and Crystallization: The Case of Ethenzamide

Crystal Growth & Design, 2012
Ethenzamide is a small, conformationally labile pharmaceutical molecule which crystallizes in an unusual conformation relative to both its co-crystals and to similar molecules found in the Cambridge Structural Database. Relative to its co-crystals, large ethenzamide crystals are challenging to grow, a property which may be linked to the crystal ...
Back, Kevin R., Davey, Roger J., Grecu, Tudor, Hunter, Christopher A., Taylor, Lynne S.   +4 more
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Spin–Orbit Charge Recombination Intersystem Crossing in Phenothiazine–Anthracene Compact Dyads: Effect of Molecular Conformation on Electronic Coupling, Electronic Transitions, and Electron Spin Polarizations of the Triplet States

Journal of Physical Chemistry C, 2018
Phenothiazine (PTZ)–anthracene (An) compact electron donor/acceptor dyads were synthesized. The molecular conformation was constrained by rotation restriction to achieve an orthogonal geometry between the electron donor (PTZ) and the electron acceptor ...
Yuqi Hou, Till Biskup, Stephan Rein, Zhijia Wang, L. Bussotti, N. Russo, P. Foggi, Jianzhang Zhao, M. di Donato, G. Mazzone, S. Weber   +10 more
semanticscholar   +1 more source

Molecular Conformation of Benzylideneanilines

Helvetica Chimica Acta, 1971
AbstractThe non‐planar conformations of benzylideneanilines and the almost planar conformations of stilbene and azobenzene are consistently reproduced by a simple model, which takes into account the dependence of π‐electron energy and non‐bonded interactions on molecular conformation. Other aspects of the molecular geometry of benzylideneanilines.(bond
H. B. Bürgi, J. D. Dunitz
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Singularities in Molecular Conformation

Crystal Growth & Design, 2015
The intramolecular coupling between molecular groups leads to singularities in the molecular conformation, acting like a switch in a molecular-scale rotor. This, in turn, affects the potential-energy (Ep) barriers, acquiring a sharp shape originating from superimposed Ep functions of the molecular conformers with differently coupled methyl groups.
Szymon Sobczak, Andrzej Katrusiak
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Influence of Molecular Conformation on Electron Transport in Giant, Conjugated Macrocycles.

Journal of the American Chemical Society, 2018
We describe here the direct connection between the molecular conformation of a conjugated macrocycle and its macroscopic charge transport properties. We incorporate chiral, helical perylene diimide ribbons into the two separate macrocycles as the n-type,
Melissa L. Ball, Boyuan Zhang, Qizhi Xu, Daniel W. Paley, V. C. Ritter, Fay W Ng, M. Steigerwald, C. Nuckolls   +7 more
semanticscholar   +1 more source

Molecular conformation of cyclenes

Journal of Molecular Structure, 1979
Abstract The strain energy of the most probable conformers of 1,3,6-cyclononatriene and 1,3,6-cyclodecatriene, which are asymmetrical compounds, has been calculated as a function of various geometrical parameters by means of the semiempirical Hendrickson's treatment, partially modified.
Giuseppe Buemi, Attanasio Nicolosi, Felice Zuccarello, Domenico Grasso   +3 more
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