Results 1 to 10 of about 1,312 (193)
Liquids, 2023 There is a remarkable wealth of thermodynamic information in freely accessible databases, the LSER database being a classical example. The LSER, or Abraham solvation parameter model, is a very successful predictive tool in a variety of applications in ...
Vassily Hatzimanikatis +2 more
exaly +6 more sources
LiquidsA new method, based on quantum chemical calculations, is proposed for the thermodynamically consistent reformulation of QSPR-type Linear Free-Energy Relationship (LFER) models.
Costas Panayiotou
doaj +3 more sources
Solvatochromism of isatin based Schiff bases: An LSER and LFER study [PDF]
Journal of the Serbian Chemical Society, 2016 The derivatives of isatin have already been reported to show a variety of biological activities. However, there has been no report on solvatochromic effect of isatin derivatives so far, and that could be of interest to study and relate to their ...
Brkić Dominik R. +6 more
doaj +4 more sources
Linear Solvation Energy Relationships (LSER) for Adsorption of Organic Compounds by Carbon Nanotubes [PDF]
Water Research, 2016 The objective of this paper was to create a comprehensive database for the adsorption of organic compounds by carbon nanotubes (CNTs) and to use the Linear Solvation Energy Relationship (LSER) technique for developing predictive adsorption models of organic compounds (OCs) by multi-walled carbon nanotubes (MWCNTs) and single-walled carbon nanotubes ...
Onur Apul, Tanju Karanfil, Gamze Ersan
exaly +3 more sources
Reaction Optimization for Greener Chemistry with a Comprehensive Spreadsheet Tool [PDF]
Molecules, 2022 Green chemistry places an emphasis on safer chemicals, waste reduction, and efficiency. Processes should be optimized with green chemistry at the forefront of decision making, embedded into research at the earliest stage.
Daniel M. Day +8 more
doaj +2 more sources
Chromotropism of Iron(II) Complexes with Non-Symmetric Heterocyclic Ligands: Polarity Sensing in Aqueous Urea Solutions [PDF]
NanomaterialsThis study reports the synthesis and characterization of two solvatochromic pentacyanoferrate(II) complexes. Their structural design incorporates ligands with flexible xylylene bridges and distinct heterocycles—one combining 4-dimethylaminopyridine (DMAP)
Raffaello Papadakis
doaj +2 more sources
Sampling efficiency of a polyurethane foam air sampler: Effect of temperature [PDF]
Environmental Science and EcotechnologyEffective monitoring of atmospheric concentrations is vital for assessing the Stockholm Convention's effectiveness on persistent organic pollutants (POPs). This task, particularly challenging in polar regions due to low air concentrations and temperature
Qiu-Liang Cai +8 more
doaj +2 more sources
Evaluation of solvent effect on the effective interactions of Isotretinoin and Tretinoin: Isomeric forms of vitamin A [PDF]
HeliyonVitamin A and its derivatives are effective in many medical dermatology treatments. Isotretinoin and Tretinoin, as medication and therapeutic agents, are widely applied in dermatology to treat a variety of skin cancers and disorders.
H. Sahrai +4 more
doaj +2 more sources
Synthesis, structure and solvatochromism of 5-methyl-5-(3-or 4-substituted phenyl)hydantoins [PDF]
Journal of the Serbian Chemical Society, 2009 Several 5-methyl-5-(3- or 4-substituted phenyl)hydantoins were prepared and their ultraviolet absorption spectra were recorded in the region 200-400 nm in twelve solvents of different polarity. The effect of solvent dipolarity/ polarizability and solvent/
Divjak Natalija D. +3 more
doaj +3 more sources
Ecological Indicators, 2021 Ecological restoration is important to mitigate global ecological degradation. However, previous restoration, mainly targeting a single ecosystem or ecological problem at a single scale, couldn’t effectively solve systemic ecological problems, especially
Bo Han +6 more
doaj +1 more source