We report a new application of the single-entity electrochemistry (SEE) to in situ measure a partition coefficient at intact nanoemulsions (NEs). The partition coefficient at intact NEs is the most crucial physicochemical property to determine the uptake of delivery molecules inside NEs. It, however, has not been unequivocally elucidated by currently existing techniques based on ex situ measurements. Herein, we apply the single-entity electrochemistry (SEE) to directly and quantitatively measure the partition coefficient at NEs in situ. In this work, we use NEs featured with amphiphilic triblock copolymer (Pluronic F-127) as a model system to extract/preconcentrate 2-aminobiphenyl (2-ABP) dissolved in the water and demonstrate a new application of SEE to in situ quantitatively estimate the amounts of 2-ABP distributed into each intact NE. Our SEE measurements reveal that the partitioning is governed by extraction of 2-ABP inside NEs rather than its adsorption on the NE surface, and this extraction is remarkably efficient with up to ∼8 orders of magnitude of the preconcentration factor, thus leading to the unprecedentedly large partition coefficient of 1.9 (±1.4) × 10. This result implies that not only the thermodynamic distribution but also the intermolecular interaction of extracted compounds inside NEs could play a significant role in the apparent partition coefficient ( = 1.9 (±1.4) × 10). The experimentally determined partition coefficient was validated by molecular dynamics (MD) simulations with showing a stabilizing role of intermolecular interaction in the partitioned system. We further verified our methodology with other compounds exhibiting aromatic properties, e.g., ferrocenemethanol. Significantly, our new approach can be readily applicable to investigate practical NEs commercially marketed for drug, food, and cosmetics.
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http://dx.doi.org/10.1021/acs.analchem.0c04205 | DOI Listing |
J Inorg Biochem
December 2024
Department of Chemistry, National Institute of Technology, Rourkela, 769008, Odisha, India. Electronic address:
Three stable oxidovanadium(IV) [VOL] complexes (1-3) were synthesized through the incorporation of unsymmetrical salen ligands (HL). All the ligands are synthesized, and their vanadium compounds were thoroughly characterized by CHNS analysis, various spectroscopy methods (IR, UV-Vis, NMR spectroscopy), and HR-ESI-MS. The structures of 1-3 were validated through the single-crystal X-ray analysis.
View Article and Find Full Text PDFJ Pharm Sci
December 2024
Certara UK Ltd., Certara Predictive Technologies Division, 1 Concourse Way, Level 2-Acero, Sheffield, S1 2BJ, United Kingdom. Electronic address:
Predicting steady-state volume of distribution (V) is a key component of pharmacokinetic predictions and often guided using preclinical data. However, when bottom-up prediction from physiologically-based pharmacokinetic (PBPK) models and observed V misalign in preclinical species, or predicted V from different models varies significantly, no consensus exists for selecting models or preclinical species to improve the prediction. Through systematic analysis of V prediction across rat, dog, monkey, and human, using common methods, a practical strategy for predicting human V, with or without integration of preclinical PK information is warranted.
View Article and Find Full Text PDFBiochem Biophys Res Commun
December 2024
Cleveland Diagnostics, 3615 Superior Ave., Cleveland, OH, 44114, USA. Electronic address:
The partition coefficient of human serum albumin (HSA) was analyzed in the PEG600-Dex70, 0.15 M NaCl/KCl in 0.01 M Na/K phosphate buffer, pH 7.
View Article and Find Full Text PDFJ Contam Hydrol
December 2024
Department of Zoology, Central University of Jammu, Jammu & Kashmir 181143, India. Electronic address:
Microplastics (MPs) are ubiquitous and are increasing globally, but there is limited information available on their presence in freshwater ecosystems. This research work aims to investigate the abundance, sinking behavior, and risk assessment of MPs in the freshwater River Basantar, Jammu & Kashmir, India. Microplastic abundance in sediments was recorded in the range of 1-6 items g, with a mean abundance of 3 ± 1.
View Article and Find Full Text PDFJ Hazard Mater
December 2024
State Key Laboratory of Organic Geochemistry and Guangdong Provincial Key Laboratory of Environmental Protection and Resources Utilization, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640, China; Guangdong-Hong Kong-Macao Joint Laboratory for Environmental Pollution and Control, Guangzhou 510640, China; CAS Center for Excellence in Deep Earth Science, Guangzhou 510640, China.
This study investigated the bioaccumulation of halogenated organic pollutants (HOPs) in three types of feathers from laying hens through exposure experiments. The HOPs included lipophilic polychlorinated biphenyls (PCBs) and polybrominated diphenyl ethers (PBDEs), as well as proteinophilic perfluoroalkyl carboxylic acids (PFCAs). Concentrations of PCBs, PBDEs, and short-chain PFCAs (≤8) were significantly higher in the body feathers than in the primary feathers, while long-chain PFCAs (>8) showed no significant differences among primary, tail, and body feathers.
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