Results 61 to 70 of about 45,622 (323)

Modelling of potentials for interparticle interactions between methanol molecules [PDF]

open access: yes, 2017
Peculiarities of interparticle interactions between methanol molecules in the methanol vapor are investigated. The bare potential is considered as a sum of repulsive, dispersive and electrostatic forces.
Malomuzh, N. P., Timofeev, M. V.
core   +2 more sources

Interfacial Behavior of Methane in Methane/p‐Xylene/Water Systems: First Principles Inspected Using Neutron Imaging and Molecular Dynamics Simulations

open access: yesAdvanced Materials Interfaces, EarlyView.
Pressurized gases reduce interfacial tension (IFT) at the gas‐liquid interfaces, their influence on the liquid–liquid interfaces remains unclear. For model compounds methane, water, and p‐xylene, neutron imaging observation of pressurized three‐phase systems is combined with Molecular Dynamics simulations.
Martin Melčák   +8 more
wiley   +1 more source

Osteopenia-osteoporosis discrimination in postmenopausal women by 1H NMR-based metabonomics.

open access: yesPLoS ONE, 2019
This is a report on how 1H NMR-based metabonomics was employed to discriminate osteopenia from osteoporosis in postmenopausal women, identifying the main metabolites associated to the separation between the groups. The Assays were performed using seventy-
T A Pontes   +4 more
doaj   +1 more source

Purification of ovine placental lactogen (oPL) using high‐performance liquid chromatography [PDF]

open access: yesFEBS Letters, 1986
After initial purification of ovine placental lactogen (oPL) using the procedures described previously [(1976) Endocrinology 98, 65‐75], the oPL preparation was further purified by high‐performance liquid chromatography (HPLC) using an anionic exchange column (Bio‐Sil TSK DEAE‐2‐SW).
Chan, John S.D.   +3 more
openaire   +2 more sources

Solubility isotope effects in aqueous solutions of methane [PDF]

open access: yes, 2002
The isotope effect on the Henry's law coefficients of methane in aqueous solution (H/D and C-12/C-13 substitution) are interpreted using the statistical mechanical theory of condensed phase isotope effects.
A. A. H. Pádua   +10 more
core   +2 more sources

Molecular Simulation of Functionalized Covalent Organic Framework Membranes for Inorganic Salt Separation

open access: yesAdvanced Theory and Simulations, EarlyView.
Six functionalized TpPa‐based covalent organic frameworks (COFs) are characterized using nonequilibrium molecular dynamics simulations to assess water permeance and salt rejection. The TpPa‐SO3H COF membrane achieves the highest sodium sulfate rejection (>98%) while maintaining relatively high water permeance compared to commercial nanofiltration ...
Grace Wei   +3 more
wiley   +1 more source

Expression proteomics reveals protein targets and highlights mechanisms of action of small molecule drugs

open access: yes, 2014
Phenomenological screening of small molecule libraries for anticancer activity yields potentially interesting candidate molecules, with a bottleneck in the determination of drug targets and the mechanism of anticancer action.
Chernobrovkin, Alexey   +3 more
core   +1 more source

Multiomics Analyses Reveal an Essential Role of Tryptophan in Treatment of csDMARDs in Rheumatoid Arthritis

open access: yesAdvanced Science, EarlyView.
Rheumatoid arthritis is a disease characterized by joint inflammation. Approximately 50% of patients show insufficient response to traditional synthetic disease‐modifying antirheumatic drugs. This study aims to elucidate differential molecular profiles of the mechanisms underlying drug responses through multi‐omics strategy.
Congcong Jian   +26 more
wiley   +1 more source

Quantum mechanics based force field for carbon (QMFF-Cx) validated to reproduce the mechanical and thermodynamics properties of graphite [PDF]

open access: yes, 2010
As assemblies of graphene sheets, carbon nanotubes, and fullerenes become components of new nanotechnologies, it is important to be able to predict the structures and properties of these systems.
Goddard, William A., III   +2 more
core   +2 more sources

Long‐Term Elevated CO2 Improves Soil Health and Rice Yields in Paddy Fields

open access: yesAdvanced Science, EarlyView.
Combining the two longest‐running rice free‐air CO2 enrichment experiments with a global data synthesis, this study demonstrates that long‐term elevated CO2 consistently enhances soil health. In rice paddies, this improvement sustains the CO2 fertilization effect over decades.
Fan Jiang   +22 more
wiley   +1 more source

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