Results 81 to 90 of about 650 (110)
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A LFER analysis of the singlet-triplet gap in a series of sixty-six carbenes

Chemical Physics Letters, 2018
This work was carried out with financial support from the Ministerio de Economía, Industria y Competitividad of Spain (Project No. CTQ2015-63997-C2-2-P) and Comunidad Autónoma de Madrid (S2013/MIT2841, Fotocarbon).
Alkorta, Ibon, Elguero, José
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Peroxymonosulfate activated with waste battery-based Mn-Fe oxides for pollutant removal: Electron transfer mechanism, selective oxidation and LFER analysis

Chemical Engineering Journal, 2020
Abstract Mn2O3-Fe2O3 catalyst was fabricated from spent alkaline batteries and used for effective elimination of acetaminophen (APAP) by activating peroxymonosulfate (PMS). APAP removal at various initial pH, its degradation pathway and the stability of catalyst were investigated.
Weihua Tan   +6 more
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Hydrogen bonding. Part 45.† The solubility of gases and vapours in methanol at 298 K: an LFER analysis

Journal of the Chemical Society, Perkin Transactions 2, 1998
Values of the Ostwald solubility coefficient of gases and vapours in methanol solvent, LMeOH, at 298 K have been determined for 23 solutes by an indirect method in which experimental partition coefficients between methanol and hexadecane were combined with literature data on Ostwald solubility coefficients in hexadecane.
Michael H. Abraham   +3 more
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Partition of Volatile Organic Compounds from Air and from Water into Plant Cuticular Matrix:  An LFER Analysis

Environmental Science & Technology, 1999
The partitioning of organic compounds between air and foliage and between water and foliage is of considerable environmental interest. The purpose of this work is to show that partitioning into the cuticular matrix of one particular species can be satisfactorily modeled by general equations we have previously developed and, hence, that the same general
James A. Platts, Michael H. Abraham
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Synthesis, Optical Properties, and LFER Analysis of Solvent-Dependent Binding Constants of Hamilton-Receptor-Connected Merocyanine Chromophores

The Journal of Organic Chemistry, 2008
A merocyanine dye equipped with a Hamilton-receptor unit has been synthesized that enables strong noncovalent binding of other merocyanine dyes bearing barbituric acid acceptor groups by six hydrogen bonds. NMR and UV/vis titration experiments in toluene, chloroform, dichloromethane, dioxane, and THF provide evidence for the formation of 1:1 complexes ...
Johann, Schmidt   +2 more
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Solubility of carbon dioxide in binary mixtures of dimethyl sulfoxide and ethylene glycol: LFER analysis

The Journal of Chemical Thermodynamics, 2020
Abstract The solubility of carbon dioxide was determined in dimethyl sulfoxide, ethylene glycol, and their binary mixtures at the temperatures ranging from 298.15 Kto 328.15 K and the pressures ranging from (0 to 6) bar (0 to 0.6 MPa). It was shown that the solubility of CO2 increased with the increasing of pressure while decreased with the ...
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A data base for partition of volatile organic compounds and drugs from blood/plasma/serum to brain, and an LFER analysis of the data

Journal of Pharmaceutical Sciences, 2006
Literature values of the in vivo distribution (BB) of drugs from blood, plasma, or serum to rat brain have been assembled for 207 compounds (233 data points). We find that data on in vivo distribution from blood, plasma, and serum to rat brain can all be combined.
Michael H, Abraham   +3 more
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Linear Free Energy Relationship (LFER) Analysis of Dissociation Constants of 8-Hydroxyquinoline and Its Derivatives in Aqueous and Dioxane–Water Solutions

Journal of Chemical & Engineering Data, 2013
The linear free energy relationship (LFER) analysis based on the Hammett equation has been applied for dissociation processes of 8-hydroxyquinoline and its derivatives in aqueous and 1,4-dioxane-water solutions. The effects of temperature, composition, and ionic strength of the solutions have been discussed.
Waldemar Robak   +4 more
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Characterization of Some GLC Chiral Stationary Phases:  LFER Analysis

Analytical Chemistry, 1997
Linear free energy relationships (LFERs) have been used to characterize 19 chiral stationary phases (CSPs) using retention data of Berthold et al. (Anal. Chem. 1995, 67, 849−857); of the 19 chiral phases, 17 were cyclodextrin derivatives. Most of the CSPs had moderate-to-large dipolarity/polarizability and considerable hydrogen bond basicity. Of the 19
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QSAR by LFER model of cytotoxicity data of anti-HIV 5-phenyl-1-phenylamino-1H-imidazole derivatives using principal component factor analysis and genetic function approximation

Bioorganic & Medicinal Chemistry, 2005
Cytotoxicity data of anti-HIV 5-phenyl-1-phenylamino-1H-imidazole derivatives were subjected to quantitative structure-activity relationship (QSAR) study using linear free energy related (LFER) model of Hansch using electronic (Hammett sigma), hydrophobicity (pi) and steric (molar refractivity and STERIMOL L, B1, B2, B3 and B4) parameters of phenyl ...
Kunal, Roy, J Thomas, Leonard
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