Cargando…

Using water–solvent systems to estimate in vivo blood–tissue partition coefficients

BACKGROUND: Blood–tissue partition coefficients indicate how a chemical will distribute throughout the body and are an important part of any pharmacokinetic study. They can be used to assess potential toxicological effects from exposure to chemicals and the efficacy of potential novel drugs designed...

Descripción completa

Detalles Bibliográficos
Autores principales:	Derricott, Caitlin E., Knight, Emily A., Acree, William E., Lang, Andrew SID
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Springer International Publishing 2015
Materias:	Research Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4608262/ https://www.ncbi.nlm.nih.gov/pubmed/26478743 http://dx.doi.org/10.1186/s13065-015-0134-z

Ejemplares similares

Descriptors for Cyclooctasulfur: Estimation of Water–Solvent Partition Coefficients, Solubilities in Solvents, and Physicochemical Properties
por: Abraham, Michael H., et al.
Publicado: (2018)

Predicting Abraham model solvent coefficients
por: Bradley, Jean-Claude, et al.
Publicado: (2015)

Solvation Descriptors for Zwitterionic α-Aminoacids; Estimation of Water–Solvent Partition Coefficients, Solubilities, and Hydrogen-Bond Acidity and Hydrogen-Bond Basicity
por: Abraham, Michael H., et al.
Publicado: (2019)

Descriptors for the Prediction of Partition Coefficients and Solubilities of Organophosphorus Compounds
por: Abraham, Michael H., et al.
Publicado: (2013)

Solvation Thermodynamics in Different Solvents: Water–Chloroform Partition Coefficients from Grid Inhomogeneous Solvation Theory
por: Kraml, Johannes, et al.
Publicado: (2020)

Exploring the role of octanol-water partition coefficient and Henry’s law constant in predicting the lipid-water partition coefficients of organic chemicals
por: Khawar, Muhammad Irfan, et al.
Publicado: (2022)

Machine Learning Quantitative Structure–Property Relationships as a Function of Ionic Liquid Cations for the Gas-Ionic Liquid Partition Coefficient of Hydrocarbons
por: Toots, Karl Marti, et al.
Publicado: (2022)

Empirical prediction of peptide octanol-water partition coefficients
por: Hattotuwagama, Channa K, et al.
Publicado: (2006)

A New Approach on Estimation of Solubility and n-octanol/water Partition Coefficient for Organohalogen Compounds
por: Gao, Shuo, et al.
Publicado: (2008)

In Vivo Red Blood Cells/Plasma Partition Coefficient of Treosulfan and Its Active Monoepoxide in Rats
por: Romański, Michał, et al.
Publicado: (2018)

Estimating the Octanol/Water Partition Coefficient for Aliphatic Organic Compounds Using Semi-Empirical Electrotopological Index
por: Souza, Erica Silva, et al.
Publicado: (2011)

The Membrane-Water Partition Coefficients of Antifungal, but Not Antibacterial, Membrane-Active Compounds Are Similar
por: Volynsky, Pavel E., et al.
Publicado: (2021)

Determination of air-loop volume and radon partition coefficient for measuring radon in water sample
por: Lee, Kil Yong, et al.
Publicado: (2013)

Quantitative relationship between the octanol/water partition coefficient and the diffusion limitation of the exchange between adipose and blood
por: Levitt, David G
Publicado: (2010)

Sensitization of normal and malignant tissue to cyclophosphamide by nitroimidazoles with different partition coefficients.
por: Hirst, D. G., et al.
Publicado: (1984)

Application of a General Computer Algorithm Based on the Group-Additivity Method for the Calculation of Two Molecular Descriptors at Both Ends of Dilution: Liquid Viscosity and Activity Coefficient in Water at Infinite Dilution
por: Naef, Rudolf, et al.
Publicado: (2017)

Partition of Neutral Molecules and Ions from Water to o-Nitrophenyl Octyl Ether and of Neutral Molecules from the Gas Phase to o-Nitrophenyl Octyl Ether
por: Abraham, Michael H., et al.
Publicado: (2018)

Association of the blood/air partition coefficient of 1,3-butadiene with blood lipids and albumin.
por: Lin, Yu-Sheng, et al.
Publicado: (2002)

Octanol–Water Partition Coefficient Measurement by a Simple (1)H NMR Method
por: Cumming, Hemi, et al.
Publicado: (2017)

Partition Coefficients (logP) of Hydrolysable Tannins
por: Virtanen, Valtteri, et al.
Publicado: (2020)

Comparisons of the effects of solute interactions on partition coefficient, k (D), in selected binary immiscible solvents: a case of oxalic acid and succinic acid
por: V. O., Onyeocha, et al.
Publicado: (2022)

Multiple linear regression models for predicting the n‑octanol/water partition coefficients in the SAMPL7 blind challenge
por: Lopez, Kenneth, et al.
Publicado: (2021)

Inter-subject variation in partition coefficient is largely due to variation in LGE blood T1
por: Hong, Kyung P, et al.
Publicado: (2013)

Molecular Dynamics Simulations of Water/Mucus Partition Coefficients for Feeding Stimulants in Fish and the Implications for Olfaction
por: Rygg, Alex D., et al.
Publicado: (2013)

Effect of Atomic Charges on Octanol–Water Partition Coefficient Using Alchemical Free Energy Calculation
por: Ogata, Koji, et al.
Publicado: (2018)

The SAMPL6 challenge on predicting octanol–water partition coefficients from EC-RISM theory
por: Tielker, Nicolas, et al.
Publicado: (2020)

Oil–water partition coefficient preparation and detection in the dihydroartemisinin self-emulsifying drug delivery system
por: Wang, Yunhong, et al.
Publicado: (2022)

Exploring the octanol–water partition coefficient dataset using deep learning techniques and data augmentation
por: Ulrich, Nadin, et al.
Publicado: (2021)

Dimensionally reduced machine learning model for predicting single component octanol–water partition coefficients
por: Kenney, David H., et al.
Publicado: (2023)

Boron Partitioning Coefficient above Unity in Laser Crystallized Silicon
por: Lill, Patrick C., et al.
Publicado: (2017)

Comparison of protocols measuring diffusion and partition coefficients in the stratum corneum
por: Rothe, H., et al.
Publicado: (2017)

A Simple, Robust and Efficient Computational Method for n-Octanol/Water Partition Coefficients of Substituted Aromatic Drugs
por: Bahmani, Asrin, et al.
Publicado: (2017)

Determination of Single-Ion Partition Coefficients between Water and Plasticized PVC Membrane Using Equilibrium-Based Techniques
por: Siamionau, Andrei V., et al.
Publicado: (2022)

Alkane/Water Partition Coefficient Calculation Based on the Modified AM1 Method and Internal Hydrogen Bonding Sampling Using COSMO-RS
por: Petris, Panagiotis C., et al.
Publicado: (2021)

Prediction of Partition Coefficients of Environmental Toxins Using Computational Chemistry Methods
por: van der Spoel, David, et al.
Publicado: (2019)

A method to measure the partitioning coefficient of volatile organic compounds in nanoparticles
por: Rao, Guiying, et al.
Publicado: (2020)

Predicting volume of distribution with decision tree-based regression methods using predicted tissue:plasma partition coefficients
por: Freitas, Alex A, et al.
Publicado: (2015)

Parametrization of the molecular free energy surface density (MolFESD) for different solvents and brain-blood barrier partitioning
por: Zerara, Mohamed, et al.
Publicado: (2008)

The Coefficient of Thermal Conductivity of Blood and of Various Tissues
por: Ponder, Eric
Publicado: (1962)

Two-Step Delivery: Exploiting the Partition Coefficient Concept to Increase Intratumoral Paclitaxel Concentrations In vivo Using Responsive Nanoparticles
por: Colby, Aaron H., et al.
Publicado: (2016)

Cannot write session to /tmp/vufind_sessions/sess_i9jo79h4it7dnnj4o518mbjace