First-Principle Computed Structural and Thermodynamic Properties of Cu2ZnSn(SxSe1−x)4 Pentanary Solid Solution
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Electronic Materials"
DOI: 10.1007/s11664-019-07496-w
Abstract: This paper is dedicated to the ab initio study of the structural and thermodynamic properties of Cu2ZnSn(SxSe1−x)4 bulk alloys. The calculations are conducted using full-potential linear-augmented-plane-wave plus local-orbital (FP-LAPW + lo) method within the revised generalized gradient… read more here.
Keywords: thermodynamic properties; first principle; properties cu2znsn; cu2znsn sxse1 ... See more keywords
Characterizing the structural and thermodynamic properties of Aβ42 and Aβ40.
Sign Up to like & getrecommendations! Published in 2019 at "Biochemical and biophysical research communications"
DOI: 10.1016/j.bbrc.2019.01.124
Abstract: The self-assembly of amyloid-beta (Aβ) proteins in aqueous extracellular environments is implicated in Alzheimer's disease. Among several alloforms of Aβ proteins differing in sequence length, the 42- and 40-residue forms (Aβ42 and Aβ40) are the… read more here.
Keywords: tendency; thermodynamic properties; solvation; characterizing structural ... See more keywords
Accessing the structural and thermodynamic properties of ultra-thin layers of C32 adsorbed on a SiO2 surface
Sign Up to like & getrecommendations! Published in 2017 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2017.01.065
Abstract: Abstract Medium-chain alkanes are important molecules with applications in biology and industry. Notably, their structural properties are scarcely understood. To assess structural and thermodynamic properties of dotriacontane (C32) molecules adsorbed on a SiO2 surface, we… read more here.
Keywords: thermodynamic properties; accessing structural; surface; sio2 surface ... See more keywords
Insights into the structural and thermodynamic properties of fullerols [C60(OH)n, n = 12, 14, 16, 18, 20, 22, 24] in aqueous media
Sign Up to like & getrecommendations! Published in 2020 at "Fluid Phase Equilibria"
DOI: 10.1016/j.fluid.2020.112805
Abstract: Abstract In recent years, fullerenes and their amphiphilic derivatives fullerols [C60(OH)n] have received considerable attention of researchers worldwide because of their unique structural and electronic properties that enables numerous industrial and medicinal applications. Because of… read more here.
Keywords: thermodynamic properties; hydroxyl; hydroxyl groups; fullerols c60 ... See more keywords
Structural, thermodynamic and digestible properties of maize starches esterified by conventional and dual methods: Differentiation of amylose contents
Sign Up to like & getrecommendations! Published in 2018 at "Food Hydrocolloids"
DOI: 10.1016/j.foodhyd.2018.05.032
Abstract: Abstract This work aimed to study esterification of maize starches with four distinct amylose contents including waxy ( −1 and a new 100 interhelix peak at q = 3.90 nm −1 were observed in esterified waxy starch by… read more here.
Keywords: maize starches; amylose contents; thermodynamic digestible; structural thermodynamic ... See more keywords
Determination of structural and thermodynamic parameters of bovine α-trypsin isoform in aqueous-organic media.
Sign Up to like & getrecommendations! Published in 2017 at "International journal of biological macromolecules"
DOI: 10.1016/j.ijbiomac.2017.03.125
Abstract: The α-trypsin isoform is a globular protein that belongs to serine-protease family and has a polypeptide chain of 223 amino acid residues, six disulfide bridges and two domains with similar structures. The effects of aqueous-organic… read more here.
Keywords: trypsin isoform; thermodynamic parameters; aqueous organic; determination structural ... See more keywords
Structural and thermodynamic characterization of a highly stable conformation of Rv2966c, a 16S rRNA methyltransferase, at low pH.
Sign Up to like & getrecommendations! Published in 2020 at "International journal of biological macromolecules"
DOI: 10.1016/j.ijbiomac.2020.08.236
Abstract: Rv2966c is a highly specific methyltransferase that methylates G966 at the N2 position in 16S rRNA of mycobacterial ribosome and can be secreted inside the host cell to methylate host DNA. However, how the secreted… read more here.
Keywords: state; thermodynamic characterization; methyltransferase; 16s rrna ... See more keywords
Structural and Thermodynamic Model for the Activation of Cardiac Troponin.
Sign Up to like & getrecommendations! Published in 2022 at "Biochemistry"
DOI: 10.1021/acs.biochem.2c00084
Abstract: Cardiac troponin is a regulatory protein complex located on the sarcomere that regulates the engagement of myosin on actin filaments. Low-molecular weight modulators of troponin that bind allosterically with the calcium ion have the potential… read more here.
Keywords: thermodynamic model; activation cardiac; structural thermodynamic; troponin ... See more keywords
Structural and Thermodynamic Investigation of the Perovskite Ba2NaMoO5.5
Sign Up to like & getrecommendations! Published in 2020 at "Inorganic Chemistry"
DOI: 10.1021/acs.inorgchem.0c00210
Abstract: Neutron diffraction, X-ray absorption spectroscopy (XAS), and Raman spectroscopy measurements of the quaternary perovskite phase Ba2NaMoO5.5 have been performed in this work. The cubic crystal structure in space group Fm3̅m has been refined using the… read more here.
Keywords: ray absorption; spectroscopy; structure; thermodynamic investigation ... See more keywords
Structural, Thermodynamic, and Transport Properties of the Small-Gap Two-Dimensional Metal-Organic Kagomé Materials Cu3(hexaiminobenzene)2 and Ni3(hexaiminobenzene)2.
Sign Up to like & getrecommendations! Published in 2022 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.2c00081
Abstract: Metal-organic frameworks (MOFs) provide exceptional chemical tunability and have recently been demonstrated to exhibit electrical conductivity and related functional electronic properties. The kagomé lattice is a fruitful source of novel physical states of matter, including… read more here.
Keywords: thermodynamic transport; kagom materials; structural thermodynamic; metal organic ... See more keywords
Structural and thermodynamic properties of quasi-2D Mo(1–x)W x (S, Se, Te)2 monolayer alloys: a statistical first principle study
Sign Up to like & getrecommendations! Published in 2023 at "Nanotechnology"
DOI: 10.1088/1361-6528/acc406
Abstract: In this work, we report an ab initio study of the structural and thermodynamic properties of two-dimensional transition-metal dichalcogenides (2D-TMDC) alloys, Mo(1–x)W x (S, Se, Te)2, using the cluster expansion framework to compute the Helmholtz… read more here.
Keywords: monolayer alloys; composition; thermodynamic properties; temperature ... See more keywords