Keywords: رابطه خطی انرژی آزاد; SPME; Toxicity prediction; Petroleum substances; Petrotox; Linear free energy relationships;
مقالات ISI رابطه خطی انرژی آزاد (ترجمه نشده)
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Revisiting blood-brain barrier: A chromatographic approach
Keywords: رابطه خطی انرژی آزاد; BB; plasma-to-brain distribution ratio; BBB; blood-brain barrier; CNS; central nervous system; LFER; linear free energy relationships; ME; microemulsion; MELC; microemulsion liquid chromatography; PS; permeability-surface area product; SP; solute property
Keywords: رابطه خطی انرژی آزاد; Acetophenone solvent; Aniline solvent; Gas-solvent partition coefficients; Water-solvent partition coefficients; Linear free energy relationships; Hydrogen-bonding;
Keywords: رابطه خطی انرژی آزاد; Nicotinic acid; Isonicotinic acid; Solubility; Partition coefficients; Compound descriptors; Linear free energy relationships;
Learning how to use IAM chromatography for predicting permeability
Keywords: رابطه خطی انرژی آزاد; BR Analysis; Block Relevance Analysis; IAM; Immobilized Artificial Membranes; LFER; Linear Free Energy Relationships; MDCK-LE; Low-Efflux Madin-Darby canine kidney cell line; PAMPA; Parallel Artificial Membrane Permeability Assay; PPL; phospholipids; PSA;
Descriptors for the α,Ï-dicarboxylic acids from oxalic acid to sebacic acid
Keywords: رابطه خطی انرژی آزاد; α,Ï-dicarboxylic acids; Gas-solvent partition coefficients; Water-solvent partition coefficients; Solubility; Linear free energy relationships; Hydrogen bonding;
Gas-solvent and water-solvent partition of trans-stilbene at 298Â K
Keywords: رابطه خطی انرژی آزاد; trans-Stilbene; Gas-solvent partition coefficients; Water-solvent partition coefficients; Quantitative structure-property relationships; Solubility; Linear free energy relationships; Hydrogen-bonding;
Descriptors for ferrocene and some substituted ferrocenes
Keywords: رابطه خطی انرژی آزاد; Ferrocene; Acetylferrocene; Acetoacetylferrocene; Gas-solvent partition coefficients; Water-solvent partition coefficients; Solubility; Linear free energy relationships;
Octanol/water partition coefficients Kow: A critical examination of the value of the methylene group contribution to log Kow for homologous series of organic compounds
Keywords: رابطه خطی انرژی آزاد; Collander equation; Graphical methods; Linear free energy relationships; Methylene group contribution; Octanol–water partition coefficient, KOW
Experimental and theoretical study of substituent effect on 13C NMR chemical shifts of 5-arylidene-2,4-thiazolidinediones
Keywords: رابطه خطی انرژی آزاد; 13C NMR; Substituent effect; Linear free energy relationships; Yukawa-Tsuno model; Quantum chemical calculation;
Determination of solvation descriptors for terpene hydrocarbons from chromatographic measurements
Keywords: رابطه خطی انرژی آزاد; Terpenes; Gas liquid chromatography; Partition coefficient; Descriptors; Linear free energy relationships
Application of linear free energy relationships to characterizing the sorptive characteristics of organic contaminants on organoclays from water
Keywords: رابطه خطی انرژی آزاد; Organoclay; Sorption; Linear free energy relationships; Montmorillonite;
Stable carbon and hydrogen isotope fractionation of dissolved organic groundwater pollutants by equilibrium sorption
Keywords: رابطه خطی انرژی آزاد; Natural attenuation; Partitioning; Linear free energy relationships; Deuterocarbons
Assessment of inventive step for organic chemical reactions: Structure–reactivity-relationships in the frame of the problem-solution approach (PSA)
Keywords: رابطه خطی انرژی آزاد; Inventive step; Organic chemical reactions; Problem-solution-approach (PSA); Common general knowledge; Linear free energy relationships; Structure–reactivity-relationships; Functional groups; Reaction mechanism; EPO
Sorption of carbamazepine, 17α-ethinylestradiol, iopromide and trimethoprim to biomass involves interactions with exocellular polymeric substances
Keywords: رابطه خطی انرژی آزاد; Activated sludge; Microconstituents; Trace organic contaminants; Exocellular polymers; Linear free energy relationships
Partitioning of polar and non-polar neutral organic chemicals into human and cow milk
Keywords: رابطه خطی انرژی آزاد; Milk/water partitioning; Physiologically based pharmacokinetic modelling (PBPK); Linear free energy relationships; Bioaccumulation
Biorelevant pKa (37 °C) predicted from the 2D structure of the molecule and its pKa at 25 °C
Keywords: رابطه خطی انرژی آزاد; Ionization constant; pKa; Abraham's descriptors; Biorelevant media; Linear free energy relationships
Correlations for describing gas-to-ionic liquid partitioning at 323 K based on ion-specific equation coefficient and group contribution versions of the Abraham model
Keywords: رابطه خطی انرژی آزاد; Room temperature ionic liquids; Linear free energy relationships; Activity coefficients; Group contribution methods; Gas chromatographic retention factors; Partition coefficients
Mathematical correlations for describing solute transfer into functionalized alkane solvents containing hydroxyl, ether, ester or ketone solvents
Keywords: رابطه خطی انرژی آزاد; Partition coefficients; Predictive methods; Infinite dilution activity coefficients; Solubilities; Linear free energy relationships
Retention of structurally diverse drugs in human serum albumin chromatography and its potential to simulate plasma protein binding
Keywords: رابطه خطی انرژی آزاد; Biomimetic chromatography; Human serum albumin stationary phase; Plasma protein binding; Lipophilicity; Charged species; Linear free energy relationships
Enthalpy of solvation correlations for organic solutes and gases dissolved in acetonitrile and acetone
Keywords: رابطه خطی انرژی آزاد; Enthalpy of solvation; Linear free energy relationships; Molecular solute descriptors; Predictive methods
An imidazolidin-1-ol, nitrone and oxadiazinane ring-chain-ring tautomeric dynamic combinatorial library
Keywords: رابطه خطی انرژی آزاد; Ring-chain-ring tautomers; Dynamic combinatorial libraries; Linear free energy relationships; Benzylidene exchange reaction;
X-ray photoelectron spectra of organoelement compounds and polarizability effect
Keywords: رابطه خطی انرژی آزاد; Radical ions; Photoelectron spectroscopy; Linear free energy relationships; Substituent effects;
Enthalpy of solvation correlations for organic solutes and gases dissolved in N,N-dimethylformamide and tert-butanol
Keywords: رابطه خطی انرژی آزاد; Enthalpy of solvation; Linear free energy relationships; Molecular solute descriptors; Predictive methods;
Analysis of dechlorination kinetics of chlorinated aliphatic hydrocarbons by Fe(II) in cement slurries
Keywords: رابطه خطی انرژی آزاد; Correlation analysis; Linear free energy relationships; Reductive dechlorination; Degradative solidification/stabilization; Fe(II);
Enthalpy of solvation correlations for gaseous solutes dissolved in dibutyl ether and ethyl acetate
Keywords: رابطه خطی انرژی آزاد; Enthalpy of solvation; Linear free energy relationships; Molecular solute descriptors; Predictive methods
Carbon-13 substituent chemical shifts in N-1-p-substituted phenyl-5-methyl-4-carboxy uracils
Keywords: رابطه خطی انرژی آزاد; 13C Substituent chemical shifts; Linear free energy relationships; N-1-p-substituted phenyl-5-methyl-4-carboxy uracils;
Acidity of osmium tetroxide (OsO4) towards coordination with pyridine and its derivatives
Keywords: رابطه خطی انرژی آزاد; Acidity; Donor–acceptor systems; Linear free energy relationships; N-Ligands; Osmium; Thermodynamics
Modelling the adsorption of Cd(II), Cu(II), Ni(II), Pb(II), and Zn(II) onto Fithian illite
Keywords: رابطه خطی انرژی آزاد; Adsorption; Cadmium; Copper; Nickel; Lead; Zinc; Illite; Surface complexation; Constant Capacitance Model; Linear free energy relationships