Results 71 to 80 of about 86,021 (314)

Site-Selective Solvation-Induced Conformational Switching of Heteroleptic Heteronuclear Tb(III) and Y(III) Trisphthalocyaninates for the Control of Their Magnetic Anisotropy

Molecules, 2023
In the present work, we report the synthesis of isomeric heteronuclear terbium(III) and yttrium(III) triple-decker phthalocyaninates [(BuO)8Pc]M[(BuO)8Pc]M*[(15C5)4Pc] (M = Tb, M* = Y or M = Y, M* = Tb, [(BuO)8Pc]2−–octa-n-butoxyphthalocyaninato-ligand, [
Alexander G. Martynov, Kirill P. Birin, Gayane A. Kirakosyan, Yulia G. Gorbunova, Aslan Yu. Tsivadze   +4 more
doaj   +1 more source

Febuxostat methanol solvate [PDF]

Acta Crystallographica Section E Structure Reports Online, 2011
In the title compound {systematic name: [2-(3-cyano-4-isobutyl-oxyphen-yl)-4-methyl-1,3-thia-zole-5-carb-oxy-lic acid (febuxostat) methanol monosolvate}, C(16)H(16)N(2)O(3)S·CH(4)O, the benzene and thia-zole rings in the febuxostat mol-ecule are twisted at 5.3 (1)°.
Qi-Ying Jiang, Jing-Jing Qian, Jian-Ming Gu, Gu-Ping Tang, Xiu-Rong Hu   +4 more
openaire   +3 more sources

Spatiotemporal and quantitative analyses of phosphoinositides – fluorescent probe—and mass spectrometry‐based approaches

FEBS Letters, EarlyView.
Fluorescent probes allow dynamic visualization of phosphoinositides in living cells (left), whereas mass spectrometry provides high‐sensitivity, isomer‐resolved quantitation (right). Their synergistic use captures complementary aspects of lipid signaling. This review illustrates how these approaches reveal the spatiotemporal regulation and quantitative
Hiroaki Kajiho, Shin Morioka, Junko Sasaki, Takehiko Sasaki   +3 more
wiley   +1 more source

Critical evaluation of approximate quantum decoherence rates for an electronic transition in methanol solution [PDF]

, 2004
We present a quantum molecular dynamics calculation of a semiclassical decoherence function to evaluate the accuracy of alternative short-time approximations for coherence loss in the dynamics of condensed phase electronically non-adiabatic processes ...
László Turi, Peter J. Rossky, Turi, László, Rossky, Peter   +3 more
core   +1 more source

A Method for Accurately Predicting Solvation Structure [PDF]

, 2020
Accurately predicting the molecular structure of solutions is a fundamental scientific challenge. Using quantum mechanical density functional theory (DFT) to make these predictions is hindered by significant variation depending on which DFT functional is
Xiu Song, Zhao, Gregory K., Schenter, Timothy, Duignan, Christopher J., Mundy   +3 more
core   +1 more source

Solvation of furfural at metal|water interfaces: Implications for aqueous phase hydrogenation reactions [PDF]

, 2023
Metal|water interfaces are central to understanding aqueous phase heterogeneous catalytic processes. However, it is challenging to model the interactions between metal surfaces, adsorbates and the solvent water molecules at the interface.
Georg , Kastlunger, Sudarshan, Vijay, Mianle, Xu, Hendrik, Heenen, Nitish, Govindarajan, Ang, Cao, Sihang, Liu, Hector, Prats   +7 more
core   +1 more source

The (Glg)ABCs of cyanobacteria: modelling of glycogen synthesis and functional divergence of glycogen synthases in Synechocystis sp. PCC 6803

FEBS Letters, EarlyView.
We reconstituted Synechocystis glycogen synthesis in vitro from purified enzymes and showed that two GlgA isoenzymes produce glycogen with different architectures: GlgA1 yields denser, highly branched glycogen, whereas GlgA2 synthesizes longer, less‐branched chains.
Kenric Lee, Dimitrios Bekiari, Sofia Doello, Karl Forchhammer   +3 more
wiley   +1 more source

Solvation Enthalpies and Free Energies for Organic Solvents through a Dense Neural Network: A Generalized-Born Approach

Liquids
A dense artificial neural network, ESE-ΔH-DNN, with two hidden layers for calculating both solvation free energies ΔG°solv and enthalpies ΔH°solv for neutral solutes in organic solvents is proposed.
Sergei F. Vyboishchikov
doaj   +1 more source

Transferrin receptor 1‐mediated iron uptake supports thermogenic activation in human cervical‐derived adipocytes

FEBS Letters, EarlyView.
In this study, we found that human cervical‐derived adipocytes maintain intracellular iron level by regulating the expression of iron transport‐related proteins during adrenergic stimulation. Melanotransferrin is predicted to interact with transferrin receptor 1 based on in silico analysis.
Rahaf Alrifai, Mizuki Seo, Gyath Karadsheh, Fachrur Rizal Mahendra, Máté Á Demény, Ferenc Győry, János András Mótyán, László Fésüs, Endre Kristóf, Rini Arianti   +9 more
wiley   +1 more source

Treatment of the interaction between polymers and liquids in terms of the linear free energies concept

Condensed Matter Physics, 2005
The existing theories of interaction between polymers and liquids dont reveal satisfactory relation between liquid physico-chemical properties and the degree of swelling of polymer in polymer-liquid system. We suggested the linear sixparametric equation,
I.Yevchuk, R.Makitra, R.Musiy
doaj   +1 more source