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The Dependence of Absorption Spectrum of Congo Red on the Properties of Media: Solvatochromism, Switch Solvatochromism, Selective Solvation and Polarity Scales
In this study, the effect of polarity and hydrogen bonding ability of solvents on the absorption spectrum of Congo red was investigated. UV–Visible...
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Ultrafast transient absorption and solvation of a super-photoacid in acetoneous environments
The phenomenon of photoacidity, i.e., an increase in acidity by several orders of magnitude upon electronic excitation, is frequently encountered in...
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Applications of the solvation parameter model in thin-layer chromatography
The limited capability of the solvation parameter model to describe retention for silica gel layers and columns is possibly due to problems in...
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The solvation environment of molecularly dispersed cobalt phthalocyanine determines methanol selectivity during electrocatalytic CO2 reduction
Heterogenized molecular electrocatalysts are a promising group of materials that can electrocatalytically convert waste molecules into higher-value...
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Effect of solvation and protonation on the luminescence of boron difluoride curcuminoids
The interaction of a number of boron difluoride curcuminoids containing a dimethylamino group with hydrochloric acid in organic solvent—water systems...
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Preferential Solvation of Pomalidomide, an Immunomodulatory Drug, in Some Biocompatible Binary Mixed Solvents at 298.15 K
AbstractPreferential solvation of pomalidomide (PD) was explored in the binary mixtures of water, ethanol, ethylene glycol (EG), and propylene...
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Comparative structural study of selective and non-selective NSAIDs against the enzyme cyclooxygenase-2 through real-time molecular dynamics linked to post-dynamics MM-GBSA and e-pharmacophores map**
BackgroundInflammation-provoked disorders including cancer are arbitrated by cyclooxygenase-2 (COX-2). Celecoxib and niflumic acid are among the...
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Ion solvation as a predictor of lanthanide adsorption structures and energetics in alumina nanopores
Adsorption reactions at solid-water interfaces define elemental fate and transport and enable contaminant clean-up, water purification, and chemical...
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Intermetallic synergy in platinum–cobalt electrocatalysts for selective C–O bond cleavage
Catalysts with tailored structures are crucial to determine the selectivity of chemical reactions. However, the design of catalyst structures for the...
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Multiscale Solvation Theory for Nano- and Biomolecules
Biomolecules play their role under the influence of water, ions, and cosolvents in a living system. Some nanomaterials self-assemble in solution to...
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Selective Recovery of L-pipecolic Acid from L-lysine Bioconversion Mixture by Liquid-liquid Extraction
L-pipecolic acid (L-PA) is a key chiral intermediate in the synthesis of many important drugs. However, there is a lack of research on the efficient...
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Binding mechanism of selective cathepsin K/S inhibition revealed from molecular simulations
Cathepsin K and S are two isoforms of cysteine protease with diverse biological functions in the aspect of osteoporosis and autoimmune diseases....
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Chemi-mechanical pul** with selective fiber separation using 2D correlation near-infrared spectroscopy
In chemi-mechanical pul** process, selective fiber separation strategies directly affect pulp property. The secondary wall (SW) separation strategy...
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Revealing the Mechanisms of Photocatalytic Toluene Selective Oxidation on Titanium Dioxide Cluster with Density Functional Theory Calculations
The photocatalytic toluene selective oxidation reactions have drawn much attention owing to their mild conditions, low costs and green products....
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CDFT-based chemical reactivity properties analysis of the fluorine substitution in the selective estrogen receptor modulator (SERM) Tamoxifen
In Mexico, breast cancer is the leading cause of cancer death among women. The growing increase in the disease is closely related to the aging of the...
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Development of morpholine ring-bearing halogenated α,β-unsaturated ketones as selective monoamine oxidase-B inhibitors
Nine morpholine-derived halogenated chalcone derivatives ( MHC1 - MHC9 ) were synthesized, and their inhibitory activity against monoamine oxidase (MAO)...
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Preferential solvation and solvation shell composition of sunitinib malate, an anti-tumor compound, in some binary mixed solvents at 298.15 K
Preferential solvation of sunitinib malate (STM) was investigated in the binary mixtures of water, ethanol, ethylene glycol (EG), and propylene...
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Selective deoxygenation of biomass-derived carbonyl compounds on Zn via electrochemical Clemmensen reduction
For reductive upgrading of lignocellulosic biomass intermediates containing carbonyl groups, deoxygenation is critical to increase the energy density...
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Ion-Selective Membrane Electrode for Determination of the Octahydrotriborate Anion
AbstractAn ion-selective electrode (ISE) based on a plasticized polyvinyl chloride membrane chemically doped with tetradecylammonium...
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Uncovering the mechanism of selective stabilization of high-energy diastereoisomers via inclusion
Supramolecular systems may be used to stabilize otherwise unstable isomers to find alternative synthetic pathways. It has been reported that...
