Monte Carlo simulation of molecular and structural properties of mono- and bi-dispersed poly(ethylene oxide) nanofibers
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Polymer Research"
DOI: 10.1007/s10965-019-1753-1
Abstract: Molecular and structural properties of poly(ethylene oxide), PEO, nanofibers with different diameters and molecular weights were investigated using Monte Carlo simulation of coarse-grained models on high coordination lattice. PEO nanofibers made up of mono- and… read more here.
Keywords: structural properties; monte carlo; ethylene oxide; carlo simulation ... See more keywords
Molecular, Structural, Functional, and Pharmacological Sites for Vesicular Glutamate Transporter Regulation
Sign Up to like & getrecommendations! Published in 2020 at "Molecular Neurobiology"
DOI: 10.1007/s12035-020-01912-7
Abstract: Vesicular glutamate transporters (VGLUTs) control quantal size of glutamatergic transmission and have been the center of numerous studies over the past two decades. VGLUTs contain two independent transport modes that facilitate glutamate packaging into synaptic… read more here.
Keywords: structural functional; functional pharmacological; vesicular glutamate; molecular structural ... See more keywords
Effect of thermal processing on the molecular, structural, and antioxidant characteristics of highland barley β-glucan.
Sign Up to like & getrecommendations! Published in 2021 at "Carbohydrate polymers"
DOI: 10.1016/j.carbpol.2021.118416
Abstract: This present work evaluated the effect of heat fluidization, microwave roasting and baking treatment of highland barley (HB) on the molecular, structural, thermal and antioxidant characteristics of β-glucan. Fluorescence microscopy results showed that heat fluidization… read more here.
Keywords: processing; thermal processing; effect; molecular structural ... See more keywords
Molecular and structural basis of low interfacial energy of complex coacervates in water.
Sign Up to like & getrecommendations! Published in 2017 at "Advances in colloid and interface science"
DOI: 10.1016/j.cis.2016.07.003
Abstract: Complex coacervate refers to a phase-separated fluid, typically of two oppositely charged polyelectrolytes in solution, representing a complex fluid system that has been shown to be of essential interest to biological systems, as well as… read more here.
Keywords: fluid; water; low interfacial; complex coacervate ... See more keywords
Molecular structural aspects of organic corrosion inhibitors: Influence of –CN and –NO2 substituents on designing of potential corrosion inhibitors for aqueous media
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Molecular Liquids"
DOI: 10.1016/j.molliq.2020.113874
Abstract: Abstract The organic compounds containing –CN and –NO2 substituents are extensively used as metal corrosion inhibitors. The –CN and –NO2 substituents are electron withdrawing in nature and they expected to decrease the inhibition efficiency of… read more here.
Keywords: inhibition; corrosion inhibitors; no2 substituents; organic inhibitors ... See more keywords
Detailed molecular, structural and spectral studies of bimetallic salt, [Ni(L)][CoCl 4 ] where L = 3,7-bis(2-aminoethyl)-1,3,5,7-tetraazabicyclo(3.3.1)nonane
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2017.03.004
Abstract: Abstract The present work reports the detailed molecular, structural and spectral studies including DFT, FTIR, FT-Raman, NMR, UV Vis. spectrum of a bimetallic salt, [Ni(L)][CoCl 4 ] where L = 3,7- bis (2-aminoethyl)-1,3,5,7-tetraazabicyclo(3.3.1)nonane using DFT/TD-DFT calculations, FTIR,… read more here.
Keywords: detailed molecular; salt; salt cocl; bimetallic salt ... See more keywords
Molecular structural aspects of organic corrosion inhibitors: Experimental and computational insights
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2020.129374
Abstract: Abstract The design and development of efficient corrosion inhibitors require inputs from a wide variety of synthetic protocols, which is usually a time consuming and tedious process. The conventionally used experimental methods often turn out… read more here.
Keywords: structural aspects; corrosion; structure; molecular structural ... See more keywords
The molecular structural features controlling stickiness in cooked rice, a major palatability determinant
Sign Up to like & getrecommendations! Published in 2017 at "Scientific Reports"
DOI: 10.1038/srep43713
Abstract: The stickiness of cooked rice is important for eating quality and consumer acceptance. The first molecular understanding of stickiness is obtained from leaching and molecular structural characteristics during cooking. Starch is a highly branched glucose… read more here.
Keywords: amylopectin; rice; cooked rice; stickiness ... See more keywords
Identifying molecular structural features by pattern recognition methods
Sign Up to like & getrecommendations! Published in 2022 at "RSC Advances"
DOI: 10.1039/d2ra00764a
Abstract: Identification of molecular structural features is a central part of computational chemistry. It would be beneficial if pattern recognition techniques could be incorporated to facilitate the identification. Currently, the quantification of the structural dissimilarity is… read more here.
Keywords: identifying molecular; molecular structural; convex hulls; pattern recognition ... See more keywords
Evidence for molecular structural variations in the cytoarchitectures of a Jurassic plant
Sign Up to like & getrecommendations! Published in 2019 at "Geology"
DOI: 10.1130/g45725.1
Abstract: In this study, we investigate the molecular structural characteristics of organic remains in various cellular organelles from a 180 Ma Jurassic royal fern belonging to the Osmundaceae family of ferns, and compare their carbon isotopic… read more here.
Keywords: cellular organelles; organic remains; evidence molecular; molecular structural ... See more keywords
Complete NMR assignment and analysis of molecular structural changes of β–O–4 lignin oligomer model compounds in organic media with different water content
Sign Up to like & getrecommendations! Published in 2020 at "Holzforschung"
DOI: 10.1515/hf-2020-0039
Abstract: Abstract The conformation of lignin in solvents is major key factors governing the physicochemical properties of aromatic polymers. However, the conformational changes of lignin in good and poor solvents is not clearly understood at the… read more here.
Keywords: structural changes; oligomer model; model compounds; lignin oligomer ... See more keywords