Keywords: رابطه انرژی آزاد خطی; Activity coefficient; Temperature variation of activity coefficients; Abraham descriptors; Multiple linear regression equation; Linear free energy relationship;
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Keywords: رابطه انرژی آزاد خطی; Plasma proteins; Binding; HPLC; Retention factors (k); Linear free energy relationship; Abraham (Absolv) descriptors;
Lithium salts based on a series of new anilinyl-perfluorosulfonamide salts and their polymer electrolytes
Keywords: رابطه انرژی آزاد خطی; Lithium salts; Polymer electrolytes; POE/PEO; Linear Free Energy Relationship; Anodic stability;
Keywords: رابطه انرژی آزاد خطی; QSARs; Adipose/blood partition coefficient; Multiple Linear Regression; Artificial Neural Networks; Linear Free Energy Relationship; PaDEL descriptors;
Keywords: رابطه انرژی آزاد خطی; Inverse liquid chromatography; Biomaterials; Surface characterization; Linear free energy relationship; Hydroxyapatite
Keywords: رابطه انرژی آزاد خطی; Triolein; Partition coefficients; Linear free energy relationship; Compound descriptors;
Keywords: رابطه انرژی آزاد خطی; Perfluoroalkanes; Hydrophobic effects; Solubility; Partition coefficients; Abraham descriptors; Linear free energy relationship; Principal component analysis; Scaled particle theory
Keywords: رابطه انرژی آزاد خطی; Inverse liquid chromatography; Linear free energy relationship; Ceramic material; Solid/liquid interface; Structure â property relationship;
Keywords: رابطه انرژی آزاد خطی; Ions; Ionic species; Ion-pairs; Linear free energy relationship; Physicochemical processes; Biochemical processes;
Keywords: رابطه انرژی آزاد خطی; Graphene oxide; Metal adsorption; Surface complexation modeling; Linear free energy relationship;
A linear free energy analysis of PAMPA models for biological systems
Keywords: رابطه انرژی آزاد خطی; PAMPA; Linear free energy relationship; Abraham equation; Water-solvent partitions; Principal component analysis;
Interactions of volatile organic compounds with the ionic liquids 1-butyl-1-methylpyrrolidinium tetracyanoborate and 1-butyl-1-methylpyrrolidinium bis(oxalato)borate
Keywords: رابطه انرژی آزاد خطی; Limiting activity coefficient; Gas–liquid partition coefficient; Thermodynamic properties of dissolution; [BMPYR][B(CN)4]; [BMPYR][BOB]; Linear Free Energy Relationship; Separation selectivity
Infinite dilution activity coefficients of volatile organic compounds in two ionic liquids composed of the tris(pentafluoroethyl)trifluorophosphate ([FAP]) anion and a functionalized cation
Keywords: رابطه انرژی آزاد خطی; Gas–liquid partition coefficient; Thermodynamic properties of dissolution; [FAP]; Functionalized cation; Linear Free Energy Relationship; Separation selectivity
The effect of ionized species on microsomal binding
Keywords: رابطه انرژی آزاد خطی; Microsomal binding; Linear free energy relationship; Protonated base cations; Carboxylate anions; Microsomal binding of ions
Interactions of volatile organic compounds with the ionic liquid 1-ethyl-3-methylimidazolium tetracyanoborate
Keywords: رابطه انرژی آزاد خطی; Limiting activity coefficient; Gas–liquid partition coefficient; Thermodynamic properties of dissolution; [EMIM][B(CN)4]; Linear Free Energy Relationship; Separation selectivity
Human Skin Permeation of Neutral Species and Ionic Species: Extended Linear Free Energy Relationship Analyses
Keywords: رابطه انرژی آزاد خطی; transdermal drug delivery; permeability; skin; permeation; partition; diffusion; ionic species; physicochemical properties; linear free energy relationship; LFER; QSPR;
FbpA - A bacterial transferrin with more to offer
Keywords: رابطه انرژی آزاد خطی; ABC; ATP-binding cassette; FbpA; Ferric binding protein A from N. gonorrhoeae unless otherwise noted; Fbp; Ferric binding protein: designates the generic class of Fbp proteins as opposed to a specific FbpA; FbpB/C; ABC transporter that recognizes FbpA and
The transfer of neutral molecules, ions and ionic species from water to benzonitrile; comparison with nitrobenzene
Keywords: رابطه انرژی آزاد خطی; Benzonitrile; Nitrobenzene; Linear free energy relationship; Partition coefficient; Hydrogen bonding; Water–solvent partition
Linear free energy relationships predict coordination and π-stacking interactions of small molecules with ferriprotoporphyrin IX
Keywords: رابطه انرژی آزاد خطی; Heme; Protoporphyrin IX; Linear free energy relationship; Antimalarials; Malaria
Linear Free Energy Relationship Analysis of Retention Factors in Cerasome Electrokinetic Chromatography Intended for Predicting Drug Skin Permeation
Keywords: رابطه انرژی آزاد خطی; liposome electrokinetic chromatography (LEKC); cerasome; retention factors; log P; skin; liposomes; physicochemical properties; linear free energy relationship; QSPR; ionic species;
Linear free energy relationships of half-wave reduction potentials of (E)-4-aryl-4-oxo-2-butenoic acids
Keywords: رابطه انرژی آزاد خطی; Aroylacrylic acids; Half-wave potentials; Linear free energy relationship; Hammett sigma; Frontier orbitals;
The biological and toxicological activity of gases and vapors
Keywords: رابطه انرژی آزاد خطی; Volatile compound; Quantitative structure-activity relationship; Linear free energy relationship; Nasal pungency threshold; Eye irritation thresholds; Odor detection threshold; Upper respiratory tract irritation in miceVC, volatile compound; QSAR, quantit
Assessment of chemical screening outcomes based on different partitioning property estimation methods
Keywords: رابطه انرژی آزاد خطی; Partitioning property estimation; Chemical screening; Long range transport potential; Bioaccumulation potential; Quantitative structure–property relationship; Linear free energy relationship
Activity coefficients at infinite dilution of organic solutes in the ionic liquid 1-ethyl-3-methylimidazolium methanesulfonate
Keywords: رابطه انرژی آزاد خطی; Limiting activity coefficients; Gas–liquid partition coefficients; Thermodynamic properties of dissolution; [EMIM][MeSO3]; Linear free energy relationship; Separation selectivity
Opportunities for faster carbon dioxide removal: A kinetic study on the blending of methyl monoethanolamine and morpholine with 2-amino-2-methyl-1-propanol
Keywords: رابطه انرژی آزاد خطی; Carbon dioxide reaction kinetics; AMP–MMEA blend; AMP–MORPH blend; Linear free energy relationship; Stopped flow technique
Water-Solvent Partition Coefficients and ÎâLogâP Values as Predictors for Blood-Brain Distribution; Application of the Akaike Information Criterion
Keywords: رابطه انرژی آزاد خطی; blood-brain distribution; water-solvent partition coefficients; ÎâlogâP; linear free energy relationship; Akaike information criterion;
Regioselectivity in 2-X-pyrazine aminations by O-mesitylenesulfonylhydroxylamine
Keywords: رابطه انرژی آزاد خطی; Amination; Selectivity; N-Amine salts; Azines; Mechanism; Linear free energy relationship; DFT calculations;
Prediction of convulsant activity of gases and vapors
Keywords: رابطه انرژی آزاد خطی; Convulsant activity; Inhalation anesthesia; Linear free energy relationship; Hydrogen bonding; Abraham equation
Prediction of milk/plasma concentration ratios of drugs and environmental pollutants
Keywords: رابطه انرژی آزاد خطی; Milk; Milk/plasma ratios; Drugs; Pollutants; Linear free energy relationship; Artificial neural networks
Partition coefficients of organic compounds in new imidazolium based ionic liquids using inverse gas chromatography
Keywords: رابطه انرژی آزاد خطی; Room temperature ionic liquids; Inverse gas chromatography; Partition coefficient; Linear free energy relationship
Air to lung partition coefficients for volatile organic compounds and blood to lung partition coefficients for volatile organic compounds and drugs
Keywords: رابطه انرژی آزاد خطی; Volatile organic compounds; Drugs; Lung; Blood–lung; Plasma–lung; Partition coefficients; Linear free energy relationship; Abraham equation; Hydrogen-bond
LFER correlations for room temperature ionic liquids: Separation of equation coefficients into individual cation-specific and anion-specific contributions
Keywords: رابطه انرژی آزاد خطی; Room-temperature ionic liquids; Partition coefficient; Solubility; Activity coefficient; Linear free energy relationship; Predictive method
PAHs in Stockholm window films: Evaluation of the utility of window film content as indicator of PAHs in urban air
Keywords: رابطه انرژی آزاد خطی; Organic window film; Polycyclic aromatic hydrocarbon; Linear free energy relationship; Lipid–air partitioning; Black carbon
Correlation and prediction of partition coefficients for solute transfer to 1,2-dichloroethane from both water and from the gas phase
Keywords: رابطه انرژی آزاد خطی; Partition coefficient; 1,2-Dichloroethane; Linear free energy relationship; Solute descriptors
Combination of artificial neural network technique and linear free energy relationship parameters in the prediction of gradient retention times in liquid chromatography
Keywords: رابطه انرژی آزاد خطی; Artificial neural network; LFER parameters; Linear free energy relationship; Quantitative structure–retention relationship; Gradient retention; Multiple linear regression
Correlation and prediction of partition coefficient between the gas phase and water, and the solvents dry methyl acetate, dry and wet ethyl acetate, and dry and wet butyl acetate
Keywords: رابطه انرژی آزاد خطی; Partition coefficient; Butyl acetate; Methyl acetate; Ethyl acetate; Linear free energy relationship
Air to liver partition coefficients for volatile organic compounds and blood to liver partition coefficients for volatile organic compounds and drugs
Keywords: رابطه انرژی آزاد خطی; Volatile organic compounds; Drugs; Liver; Blood-liver; Plasma-liver; Partition coefficients; Linear free energy relationship; Abraham equation
Iron-mediated reduction rates and pathways of halogenated methanes with nanoscale Pd/Fe: Analysis of linear free energy relationship
Keywords: رابطه انرژی آزاد خطی; Chlorinated methanes; Brominated methanes; Reduction; Nanoscale particles; Pd/Fe; Linear free energy relationship
Surface diffusion in reversed-phase liquid chromatography using silica gels bonded with C1 and C18 ligands of different densities
Keywords: رابطه انرژی آزاد خطی; Reversed-phase liquid chromatography; Alkyl ligand bonded silica gel; Surface diffusion; Extrathermodynamics; Enthalpy-entropy compensation; Linear free energy relationship
Characterization of the retention behavior of organic and pharmaceutical drug molecules on an immobilized artificial membrane column with the Abraham model
Keywords: رابطه انرژی آزاد خطی; Immobilized artificial membrane; Retention factor; Correlation; Linear free energy relationship
Characterization of the sorption of gaseous and organic solutes onto polydimethyl siloxane solid-phase microextraction surfaces using the Abraham model
Keywords: رابطه انرژی آزاد خطی; Sorption coefficients; Polydimethylsiloxane; Linear free energy relationship; Solid-phase microextraction
Divalent metal adsorption by the thermophile Anoxybacillus flavithermus in single and multi-metal systems
Keywords: رابطه انرژی آزاد خطی; Metal adsorption; Surface complexation modeling; Bacteria; Thermophile; Linear free energy relationship
Partition of compounds from gas to water and from gas to physiological saline at 310 K: Linear free energy relationships
Keywords: رابطه انرژی آزاد خطی; Gas–water partition coefficients; Gas–saline partition coefficients; Henry's law; Linear free energy relationship; Multiple linear regression; Abraham descriptors
Chemesthesis from volatile organic compounds: Psychophysical and neural responses
Keywords: رابطه انرژی آزاد خطی; Irritation; Chemical senses; Chemesthesis; Psychophysics; Neurophysiology; Negative mucosal potential; Linear free energy relationship
Air to fat and blood to fat distribution of volatile organic compounds and drugs: Linear free energy analyses
Keywords: رابطه انرژی آزاد خطی; Air–blood; Air–fat; Blood/plasma–fat; Volatile organic compounds; Drugs; PCBs; Linear free energy relationship
Air to brain, blood to brain and plasma to brain distribution of volatile organic compounds: linear free energy analyses
Keywords: رابطه انرژی آزاد خطی; Air–blood; Air–brain; Blood–brain; Plasma–brain; Volatile organic compounds; Linear free energy relationship
A data base for partition of volatile organic compounds and drugs from blood/plasma/serum to brain, and an LFER analysis of the data
Keywords: رابطه انرژی آزاد خطی; blood brain barrier; structure activity relationship (SAR); multivariate analysis; QSAR; linear free energy relationship; hydrogen bonding;
Voltammetry as a virtual potentiometric sensor in modelling of a metal-ligand system and refinement of stability constants. Part 4. An electrochemical study of NiII complexes with methylene diphosphonic acid
Keywords: رابطه انرژی آزاد خطی; DC polarography; Potentiometry; Virtual potential; Linear free energy relationship; Bisphosphonates;