Results 91 to 100 of about 496,088 (311)

Molecular Conformation Generation via Shifting Scores

, 2023
Molecular conformation generation, a critical aspect of computational chemistry, involves producing the three-dimensional conformer geometry for a given molecule.
Zhang, Ruimao, Yu, Tianshu, Ying, Chaolong, Liu, Ruiying, Zhou, Zihan   +4 more
core  

Controlling molecular conformation for highly efficient and stable deep-blue copolymer light-emitting diodes [PDF]

, 2018
We report a novel approach to the achievement of deep-blue, high-efficiency, and long-lived solution processed polymer light-emitting diodes (PLEDs) via a simple molecular-level conformation change whereby we introduce rigid β-phase segments into a 95 ...
Cheetham, Nathan J, Suh, M., Cass, M., Hamilton, I., Xuhua Wang, Wang, Xuhua, Dyson, M.; id_orcid, Donal D. C. Bradley, Hamilton, Iain, Dyson, M, Michael Cass, Stavrinou, PN, Stavrinou, P.N., Bradley, D.D.C., Wang, X., Dyson, MJ, Bradley, Donal D.C., Kim, Ji-Seon, Iain Hamilton, Nathan J. Cheetham, Minwon Suh, Matthew Dyson, Wang, X, Suh, Minwon, Bradley, Donal D C, Dyson, M., Cass, M, Chander, Nathan, Kim, J-S, Ji-Seon Kim, Chander, N., Dyson, Matthew, Wang, Xu-Hua, Suh, M, Chander, N, Nathan Chander, Cass, Michael, Bradley, Donal DC, Cheetham, N.J., Stavrinou, Paul N., Paul N. Stavrinou, Stavrinou, Paul N, Cheetham, NJ, Hamilton, I, Bradley, DDC   +44 more
core   +1 more source

molecular conformation

, 2014
Citation: 'molecular conformation' in the IUPAC Compendium of Chemical Terminology, 3rd ed.; International Union of Pure and Applied Chemistry; 2006. Online version 3.0.1, 2019. 10.1351/goldbook.M03984 • License: The IUPAC Gold Book is licensed under Creative Commons Attribution-ShareAlike CC BY-SA 4.0 International for individual terms.
openaire   +1 more source

pH‐mediated activation of the lysosomal arginine sensor SLC38A9

FEBS Letters, EarlyView.
Cells monitor nutrient levels via the lysosomal transporter SLC38A9 to activate the mechanistic target of rapamycin complex 1 (mTORC1). This study reveals that SLC38A9 function is regulated by pH. We identified histidine 544 as a critical pH sensor that undergoes conformational changes to control amino acid efflux from lysosomes; therefore, it ...
Xuelang Mu, Ampon Sae Her, Tamir Gonen
wiley   +1 more source

Crystal structures of five (2-chloroquinolin-3-yl)methyl ethers: supramolecular assembly in one and two dimensions mediated by hydrogen bonding and π–π stacking

Acta Crystallographica Section E: Crystallographic Communications, 2015
In the molecules of the title compounds, methyl 5-bromo-2-[(2-chloroquinolin-3-yl)methoxy]benzoate, C18H13BrClNO3, (I), methyl 5-bromo-2-[(2-chloro-6-methylquinolin-3-yl)methoxy]benzoate, C19H15BrClNO3, (II), methyl 2-[(2-chloro-6-methylquinolin-3-yl ...
Haliwana B. V. Sowmya, Tholappanavara H. Suresha Kumara, Nagendrappa Gopalpur, Jerry P. Jasinski, Sean P. Millikan, Hemmige S. Yathirajan, Christopher Glidewell   +6 more
doaj   +1 more source

The potential for circular dichroism as an additional facile and sensitive method of monitoring low-molecular-weight heparins and heparinoids [PDF]

, 2009
The ultraviolet circular dichroism (CD) spectra of commercial low-molecular-weight heparins, heparinoids and other anticoagulant preparations have been recorded between 180 and 260 nm.
Fernig, David G., Yates, Edwin A., Turnbull, Jeremy E., Rudd, Timothy R., Skidmore, Mark A., Lauder, Robert M., Guimond, Scott E., Holman, Joseph   +7 more
core  

On the hydrodynamic analysis of conformation in mixed biopolymer systems

, 2010
A brief review is given of some of the advances in hydrodynamic methodologies for studying the conformation and flexibility of biomacromolecules in mixed systems.
Gordon A Morris, Morris, Gordon, Stephen E Harding, Ali S Abdelhameed, Abdelhameed, A. S., Harding, S. E.   +5 more
core   +1 more source

Residual tail twisting in ascidian larvae is stabilized by asymmetric myofibrils that resist bilateral symmetry restoration

FEBS Letters, EarlyView.
Ascidian Ciona larvae initially show strong clockwise tail twisting, which is largely corrected during development. However, a small residual twist remains. This study shows that organized helical myofibrils in tail muscles mechanically stabilize this residual asymmetry, preventing complete restoration of bilateral symmetry and revealing how embryos ...
Yuki S. Kogure, Misaki K. Nishio, Satoru Okuda, Kohji Hotta   +3 more
wiley   +1 more source

Four 1-aryl-1H-pyrazole-3,4-dicarboxylate derivatives: synthesis, molecular conformation and hydrogen bonding

Acta Crystallographica Section E: Crystallographic Communications, 2018
Four 1-aryl-1H-pyrazole-3,4-dicarboxylate derivatives, one acid, two esters and a dicarbohydrazide have been synthesized starting from 3-aryl sydnones, and structurally characterized.
Asma, Balakrishna Kalluraya, Hemmige S. Yathirajan, Ravindranath S. Rathore, Christopher Glidewell   +4 more
doaj   +1 more source

Molecular Dispenser:  Conformation-Dependent Design Approach

, 2016
Molecular Dispenser:  Conformation-Dependent Design ...
Pavel G. Khalatur (2070883), Alexei R. Khokhlov (1759603), Yuri S. Velichko (3058431)   +2 more
core   +1 more source