Finding Chemical Structures Corresponding to a Set of Coordinates in Chemical Descriptor Space
Sign Up to like & getrecommendations! Published in 2017 at "Molecular Informatics"
DOI: 10.1002/minf.201700030
Abstract: When chemical structures are searched based on descriptor values, or descriptors are interpreted based on values, it is important that corresponding chemical structures actually exist. In order to consider the existence of chemical structures located… read more here.
Keywords: descriptor; chemical space; chemical structures; chemical ... See more keywords
Synergistic effect of Thiourea and HCl on Palladium (II) recovery: An investigation on Chemical structures and thermodynamic stability via DFT
Sign Up to like & getrecommendations! Published in 2021 at "Arabian Journal of Chemistry"
DOI: 10.1016/j.arabjc.2021.103196
Abstract: Abstract This work duly investigates the recovery of Pd (II) chlorocomplexes from industrial wastewater. Chemical structures and thermodynamic stabilities of the complex formed are evaluated via density functional theory (DFT). By applying synergistic solutions of… read more here.
Keywords: chemical structures; chemical; stability; geometry ... See more keywords
Internal curing with superabsorbent polymers of different chemical structures
Sign Up to like & getrecommendations! Published in 2019 at "Cement and Concrete Research"
DOI: 10.1016/j.cemconres.2019.105789
Abstract: Abstract This study investigates the absorption behavior of superabsorbent polymer (SAP) with different chemical structures and their effect on cement hydration, early-age autogenous shrinkage and mechanical properties of cement paste. SAP with high density of… read more here.
Keywords: anionic groups; chemical structures; curing superabsorbent; internal curing ... See more keywords
A comprehensive study on the transformation of chemical structures in the plastic layers during coking of Australian coals
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Analytical and Applied Pyrolysis"
DOI: 10.1016/j.jaap.2020.104947
Abstract: Abstract The changes in chemical structures over the plastic layer region during the coking of coals have a significant impact on coke formation and coke quality. This paper employed the Solid-state 13Carbon Nuclear Magnetic Resonance… read more here.
Keywords: plastic layers; chemical structures; study transformation; plastic layer ... See more keywords
Chemical structures and biological activities of bis- and tetrakis-acridine derivatives: A review
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2017.05.042
Abstract: Abstract A review of the literature on the biological activity of bis -acridines (diacridines) and tetrakis -acridines ( tetra -acridines) is presented. Chemical structures of the most active derivatives are provided. In particular, the last… read more here.
Keywords: structures biological; biological activities; activities bis; bis tetrakis ... See more keywords
Effects of chemical structures of omega-6 fatty acids on the molecular parameters and quantum chemical descriptors
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2018.04.075
Abstract: Abstract Omega-6 fatty acids are essential polyunsaturated fatty acids (PUFAs) and found in refined vegetable oils, nuts and seed that play a very important role in heart and brain function, along with normal growth and… read more here.
Keywords: fatty acids; effects chemical; chemical structures; omega fatty ... See more keywords
Augmented Reality, a Review of a Way to Represent and Manipulate 3D Chemical Structures.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.1c01255
Abstract: Augmented reality (AR) is a mixed technology that superimposes three-dimensional (3D) digital data onto an image of reality. This technology enables users to represent and manipulate 3D chemical structures. In spite of its potential, the… read more here.
Keywords: chemistry; chemical structures; represent manipulate; augmented reality ... See more keywords
Water Peel-Off Transfer of Electronically Enhanced, Paper-Based Laser-Induced Graphene for Wearable Electronics
Sign Up to like & getrecommendations! Published in 2022 at "ACS Nano"
DOI: 10.1021/acsnano.2c07596
Abstract: Laser-induced graphene (LIG) has gained preponderance in recent years, as a very attractive material for the fabrication and patterning of graphitic structures and electrodes, for multiple applications in electronics. Typically, polymeric substrates, such as polyimide,… read more here.
Keywords: induced graphene; paper based; chemical structures; paper ... See more keywords
Study on the Differences of Chemical Structures and Pyrolysis Characteristics between the Jurassic and Carboniferous Coking Coals
Sign Up to like & getrecommendations! Published in 2022 at "ACS Omega"
DOI: 10.1021/acsomega.1c06332
Abstract: Using Jurassic coking coals and Carboniferous coking coals as raw materials, carbonization experiments were carried out on the cokes produced by them in a self-made furnace in a laboratory-scale coking furnace, finding that the coke… read more here.
Keywords: coking coals; chemical structures; study differences; carboniferous coking ... See more keywords
Complete chemical structures of human mitochondrial tRNAs
Sign Up to like & getrecommendations! Published in 2020 at "Nature Communications"
DOI: 10.1038/s41467-020-18068-6
Abstract: Mitochondria generate most cellular energy via oxidative phosphorylation. Twenty-two species of mitochondrial (mt-)tRNAs encoded in mtDNA translate essential subunits of the respiratory chain complexes. mt-tRNAs contain post-transcriptional modifications introduced by nuclear-encoded tRNA-modifying enzymes. They are… read more here.
Keywords: mitochondrial trnas; human mitochondrial; trna modifications; chemical structures ... See more keywords
Prediction of pharmacological activities from chemical structures with graph convolutional neural networks
Sign Up to like & getrecommendations! Published in 2021 at "Scientific Reports"
DOI: 10.1038/s41598-020-80113-7
Abstract: Many therapeutic drugs are compounds that can be represented by simple chemical structures, which contain important determinants of affinity at the site of action. Recently, graph convolutional neural network (GCN) models have exhibited excellent results… read more here.
Keywords: pharmacological activities; graph convolutional; prediction pharmacological; convolutional neural ... See more keywords