Results 101 to 110 of about 15,691 (309)

Crystallographic Study of Solvates and Solvate Hydrates of an Antibacterial Furazidin [PDF]

open access: yes
In this study, we present a detailed crystallographic analysis of multiple solvates of an antibacterial furazidin. Solvate formation of furazidin was investigated by crystallizing it from pure solvents and solvent–water mixtures.
Anatoly Mishnev (1556635)   +3 more
core   +1 more source

μ-Acetato-μ-(5-chloro-2-{1,3-bis[2-(5-chloro-2-oxidobenzylideneamino)ethyl]imidazolidin-2-yl}phenolato)-bis[methanolnickel(II)] methanol monosolvate monohydrate

open access: yesActa Crystallographica Section E, 2011
The crystal structure shows that the title compound, [Ni2(CH3CO2)(C27H24Cl3N4O3)(CH4O)2]·CH3OH·H2O, contains [Ni2L(OAc)(CH3OH)2] molecules in the unit cell {H3L = 5-chloro-2-{1,3-bis[2-(5-chloro-2-oxidobenzylideneimino)-ethyl ...
Ahmed Raza Khan   +3 more
doaj   +1 more source

A light‐triggered Time‐Resolved X‐ray Solution Scattering (TR‐XSS) workflow with application to protein conformational dynamics

open access: yesFEBS Open Bio, EarlyView.
Time‐resolved X‐ray solution scattering captures how proteins change shape in real time under near‐native conditions. This article presents a practical workflow for light‐triggered TR‐XSS experiments, from data collection to structural refinement. Using a calcium‐transporting membrane protein as an example, the approach can be broadly applied to study ...
Fatemeh Sabzian‐Molaei   +3 more
wiley   +1 more source

Analysing the significance of small conformational changes and low occupancy states in serial crystallographic data

open access: yesFEBS Open Bio, EarlyView.
This protocol paper outlines methods to establish the success of a time‐resolved serial crystallographic experiment, by means of statistical analysis of timepoint data in reciprocal space and models in real space. We show how to amplify the signal from excited states to visualise structural changes in successful experiments.
Jake Hill   +4 more
wiley   +1 more source

Simulation of a Solvate Ionic Liquid at a Polarizable Electrode with a Constant Potential [PDF]

open access: yes, 2019
Solvate ionic liquids have the potential for use in a wide range of electrochemical devices. The interfacial nanostructure of these liquids largely determines the performance of such applications.
Vladislav B. Ivaništšev   +3 more
core   +1 more source

The Crystal Structure and Morphology of 2,4,6,8,10,12-Hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) p-Xylene Solvate: A Joint Experimental and Simulation Study

open access: yesMolecules, 2014
The crystal structure of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaiso-wurtzitane (CL-20) p-xylene solvate, and the solvent effects on the crystal faces of CL-20 were studied through a combined experimental and theoretical method.
Fanfan Shen   +4 more
doaj   +1 more source

Solvation pressure in chloroform

open access: yesThe Journal of Chemical Physics, 2006
Molecular dynamics (MD) simulations of chloroform vapor and liquid at normal temperature and pressure and liquid under hydrostatic pressure are presented, giving bond lengths and vibrational frequencies as functions of pressure. The change in bond lengths between vapor and liquid at normal temperature and pressure is consistent with a pressure ...
Hubel, H   +3 more
openaire   +5 more sources

Identifying transcription factors controlling the basal expression of human MRP4 highlights a substantial role for Sp1

open access: yesFEBS Open Bio, EarlyView.
The MRP4 transporter exports several drugs and signaling molecules. Here, we identified key promoter elements regulating basal MRP4 expression. Using reporter assays, we defined a conserved region with essential Sp1 and contributory Ets sites, which controlled basal MRP4 expression.
Debora Singer   +7 more
wiley   +1 more source

Estudos espectroscopicos de clusters trinucleares'mu'-oxo de metais de transição [PDF]

open access: yes, 1997
Dissertação (Mestrado) - Universidade Federal de Santa Catarina, Centro de Ciências Físicas e Matemáticas.Neste estudo nós investigamos oito complexos de fórmula geral: [FeIII3O(OOCCH3)6L3]NO3, onde L é um ligante heterocíclico: piridina substituídas ...
Fernandes, Christiane
core  

Crystal Structure, Stability and Desolvation of the Solvates of Sorafenib Tosylate

open access: yesCrystals, 2019
In this study, three solvates of sorafenib tosylate were obtained from methanol, ethanol and n-methyl-2-pyrrolidone (NMP) after solvate screening and the effect of solvent on the formation of solvate was analyzed. The solvents with high value of polarity/
Peng Yang   +6 more
doaj   +1 more source

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