This paper revisits the role of crystallinity in predicting the aqueous solubility of a wide variety of organic compounds. Box and Comer (Current Drug Metabolism, 2008, 9, 869-878) fitted solubility data for 86 drugs to an equation based solely on log P. The General Solubility Equation of Jain and Yalkowsky, which accounts for the crystal lattice energy, was applied to the same data set and gives more accurate solubility predictions. In this simple comparison between two solubility prediction methods, we show that log P alone is only half of the solution, and that there is a need to include the melting point when dealing with crystalline solutes.
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http://dx.doi.org/10.2174/138920009790820110 | DOI Listing |
Metabolites
January 2025
Laboratory of Bioresources, Biotechnologies, Ethnopharmacology and Health, Faculty of Sciences, University Mohammed First, Oujda 60000, Morocco.
Background/objectives: Hyperlipidemia is a serious risk factor for cardiovascular diseases and liver steatosis. In this work, we explored the effect of an herbal formula (CBF) containing immature pods and extracts on lipid metabolism disorders and lipoprotein-rich plasma (LRP) oxidation in mice.
Methods: The phenolic composition was determined using HPLC-DAD analysis.
Biochem Res Int
January 2025
Department of Animal Nutrition, Veterinary College and Research Institute, Tamil Nadu Veterinary and Animal Sciences University, Chennai, Tamil Nadu, India.
Members of the genus are the conventional medicinal plants used in the therapeutic management of numerous ailments, especially for their antioxidant and pharmacological activities. The crude extract of was profiled using high-resolution GC-MS and LC-MS/MS techniques to determine possible bioactive compounds that are vital to the antioxidant activity. A total of 52 and 63 bioactive compounds have been detected in GC-MS chromatograms using different solvents (methanol and ethanol) in leaf extracts, representing the presence of certain bioactive compounds.
View Article and Find Full Text PDFEnviron Pollut
January 2025
Department of Civil and Environmental Engineering, Indian Institute of Technology Patna, Bihar - 801 106, India. Electronic address:
Perfluorooctanoic acid (PFOA) removal has gained significant attention due to its environmental stability and potential toxicity. This study aims to synthesize a chitosan-modified magnetic biochar (CS_MBC) for efficient PFOA removal from aqueous solutions. Various CS loading ratios (0.
View Article and Find Full Text PDFLipophilicity and blood partitioning are important determinants for predicting toxicokinetics using physiologically-based toxicokinetic (PBTK) modeling. In this study, the logarithm of the -octanol:water partition coefficient (log) and the blood-to-plasma concentration ratio ( ) were for the first time experimentally determined for the pyrrolizidine alkaloids (PAs) intermedine, lasiocarpine, monocrotaline, retrorsine and their -oxides (PANOs). Validated assays for log (miniaturized shake-flask method) and (LC-MS/MS-based depletion assay) determination were compared to an ensemble of models.
View Article and Find Full Text PDFSci Total Environ
January 2025
Department of Geosciences & Natural Resource Management, Geology, University of Copenhagen, Denmark.
Due to increasing plastic production, the continuous release of primary and secondary nanoplastic particles (NPs, <1 μm) has become an emerging contaminant in terrestrial environments. The fate and transport of NPs in subsurface environments remain poorly understood, largely due to the complex interplay of mineralogical, chemical, biological, and morphological heterogeneity. This study examines interactions between abundant subsurface minerals and NPs under controlled water chemistry (1 mM KCl, pH 5.
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