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α-proton Chemical Shift Index and Amide Proton Chemical Shift Temperature Coefficient of Melittin in Methanol: Indicators for a Helix Structure and an Intra-Molecular Hydrogen Bond?
The methods of the α-proton chemical shift index (CSI) and the amide proton (NH) chemical shift temperature coefficient (Δδ/ΔT) were found...
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Predicting protein network topology clusters from chemical structure using deep learning
Comparing chemical structures to infer protein targets and functions is a common approach, but basing comparisons on chemical similarity alone can be...
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Chemical Modifications of Biomass
Biomass is a renewable resource that has several potential end uses, such as chemicals, biofuels, and cutting-edge materials. The carbon dioxide...
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Effect of Low-Temperature Plasma on Polyketone Films: Changes in the Chemical Structure and Surface Morphology
AbstractX-ray photoelectron spectroscopy was used to study the change in the chemical composition of the surface of polyketone films as a result of...
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Measurement of charges and chemical bonding in a cryo-EM structure
Hydrogen bonding, bond polarity, and charges in protein molecules play critical roles in the stabilization of protein structures, as well as...
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Predicting chemical structure using reinforcement learning with a stack-augmented conditional variational autoencoder
In this paper, a reinforcement learning model is proposed that can maximize the predicted binding affinity between a generated molecule and target...
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Chemical Properties of Biomass
This chapter presents the chemical properties of biomass. An overview of the main types of biomasses found and examples are discussed. The chemical...
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Chemical Equilibrium
Chemical equilibrium is the point in all chemical reactions at which there is no net change in the concentration of reactants or products. Chemical...
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Methacrylate Single-Ion Conducting Block Copolymers: Effect of the Chemical Structure on Conductivity and Morphological Organization
AbstractA series of novel anionic block copolymers, in which the neutral block is formed by 2-phenylethyl methacrylate (PEM) and the ionic block is...
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Comparative Analysis of Structure and Properties of Nonwoven Separation Materials for Chemical Current Sources
AbstractThe paper presents a comparative analysis of the structure and elastic properties of industrial nonwoven perchlorovinyl, chlorinated...
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Chemical Properties and Electronic Structure of Molybdenum Oxysulfide Films for Advanced Photoelectrocatalysts for Hydrogen Production
Abstract —The effect of sulfur and oxygen concentrations on the formation of chemical bonds in films based on the ternary Mo–S–O compound has been...
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Synthesis, Structure, and Chemical Properties of 1,3,2-Benzoxazaphospholenes
AbstractO , N -Heterocyclic phospholenes ( t Bu Ap)PCl, ( Ph Ap)PCl, ( Ph Ap)PPh and ( Phenox Ap)PCl based on sterically hindered 4,6-di- tert -butyl-N-(R)- о -amino...
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Chemical Composition of Biomass
Biomass is a renewable biological material made from recently alive or living organisms such as plants and animals. Biomass can be utilized to make...
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ELECTRONIC STRUCTURE AND CHEMICAL BOND IN 9,9,10,10-TETRAETHYNYL-9,10- DIHYDRODISILAANTHRACENE
AbstractAtomic and electronic structures of cyclic organosilicon compound 9,9,10,10-tetraethynyl-9,10-dihydrodisilaanthracene are studied by the...
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Chemical Kinetics
Pesticides and herbicides that are used to enhance crop production on the world’s farms are the application focus for this chapter on the rates and...
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Insect Chemical Defense
Research on the defensive chemistry of insects during the last decade is reviewed, with special emphasis on non-volatile compounds. The isolation and...
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Changes in a Chemical Structure of Brown and Bituminous Coals during Low-Temperature Processing under Various Atmospheric Conditions
Abstract —In this work infrared attenuated total reflection spectroscopy (ATR IR spectroscopy) was used to study changes in the chemical structure of...
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Introduction to Instrumental Methods of Chemical Analysis
Chemical analysis has been defined in different ways by different investigators. However, it is reasonable to state that chemical analysis involves...
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Organic Chemical Compounds from Biomass
The utilization of renewable biomass as a source for producing organic chemical compounds has garnered significant attention due to the growing...
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Review on thermochemistry of parabens: evaluation of experimental data with complementary measurements, structure–property correlations and quantum chemical calculations
Parabens (or esters of 4-hydroxybenzoic acid) are widely used as effective preservatives in cosmetic and pharmaceutical products. They are...
