Results 11 to 20 of about 290,922 (313)

Link Residual Closeness of Harary Graphs [PDF]

open access: yesFundamenta Informaticae, Volume 191, Issue 1 (March 30, 2024) fi:11385, 2023
The study of networks characteristics is an important subject in different fields, like math, chemistry, transportation, social network analysis etc. The residual closeness is one of the most sensitive measure of graphs vulnerability. In this article we calculate the link residual closeness of Harary graphs.
arxiv   +1 more source

Analytical Formulation and Field-Theoretic Simulation of Sequence-Specific Phase Separation of Proteinlike Heteropolymers with Short- and Long-Spatial-Range Interactions [PDF]

open access: yesThe Journal of Physical Chemistry B 126, 9222-9245 (2022), 2022
A theory for sequence dependent liquid-liquid phase separation (LLPS) of intrinsically disordered proteins (IDPs) in the study of biomolecular condensates is formulated by extending the random phase approximation (RPA) and field-theoretic simulation (FTS) of heteropolymers with spatially long-range Coulomb interactions to include the fundamental ...
arxiv   +1 more source

Implementing Dimer Metadynamics using GROMACS [PDF]

open access: yesJournal of Computational Chemistry 2018, 39, 2126, 2021
We develop a Gromacs implementation of Dimer Metadynamics[JCTC 13, 425 (2017)] for enhanced sampling through artificial delocalization effects. This implementation is based entirely on a Plumed collective variable developed for this purpose, the fine tuning of Gromacs input parameters, modified forcefields and custom non-bonded interactions.
arxiv   +1 more source

Assessing Performance and Safety of Feeding a Standardized Macleaya cordata Extract to Calves

open access: yesAnimals, 2022
This study examined the effects of Sangrovit®, a Macleaya cordata plant extract (MCE) preparation on feed intake, growth, blood chemistry, and tissue-residue levels of calves.
Ray A. Matulka   +4 more
doaj   +1 more source

Iterative subspace algorithms for finite-temperature solution of Dyson equation [PDF]

open access: yes, 2021
One-particle Green's functions obtained from the self-consistent solution of the Dyson equation can be employed in evaluation of spectroscopic and thermodynamic properties for both molecules and solids. However, typical acceleration techniques used in the traditional quantum chemistry self-consistent algorithms cannot be easily deployed for the Green's
arxiv   +1 more source

Single and binary adsorption of sulfonamide antibiotics onto iron-modified clay: linear and nonlinear isotherms, kinetics, thermodynamics, and mechanistic studies

open access: yesApplied Water Science, 2018
Iron-modified raw kaolinite clay (Fe-MC) was synthesized by co-precipitation method, characterized, and then applied as a low-cost adsorbent to sequester sulfachloropyridazine (SCP) and sulfadimethoxine (SDM), emergent water contaminants, from aqueous ...
Victor O. Shikuku   +5 more
doaj   +1 more source

In Search of Small Molecules That Selectively Inhibit MBOAT4

open access: yesMolecules, 2021
Ghrelin is a 28-residue peptide hormone produced by stomach P/D1 cells located in oxyntic glands of the fundus mucosa. Post-translational octanoylation of its Ser-3 residue, catalyzed by MBOAT4 (aka ghrelin O-acyl transferase (GOAT)), is essential for ...
Emily S. Murzinski   +7 more
doaj   +1 more source

Phase Chemistry of Tank Sludge Residual Components [PDF]

open access: yes, 1999
Experiments began with ''neutralization'' of iron (III)-aluminum nitrate solutions by addition of sodium hydroxide at room temperature. The final pH of most experiments was approximately 13.7. The samples were neutralized in PP or HDPE bottles that were then submerged in a water bath and aged at 90 C for up to 120 h.
Krumhansl, James L.   +3 more
openaire   +7 more sources

The effect of atmospheric nudging on the stratospheric residual circulation in chemistry-climate models [PDF]

open access: yesAtmospheric Chemistry and Physics, 2019
Abstract. We perform the first multi-model comparison of the impact of nudged meteorology on the stratospheric residual circulation using hindcast simulations from the Chemistry Climate Model Initiative (CCMI). We examine simulations over the period 1980–2009 from 5 models in which the meteorological fields are nudged towards reanalysis data and ...
A. Chrysanthou   +21 more
openaire   +10 more sources

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