The general solubility equation (GSE) is the state-of-the-art method for estimating the aqueous solubilities of organic compounds. It is an extremely simple equation that expresses aqueous solubility as a function of only two inputs: the octanol-water partition coefficient calculated by readily available softwares like clogP and ACD/logP, and the commonly known melting point of the solute. Recently, Bahadori et al. proposed that their genetic algorithm support vector machine is a "better" predictor. This paper compares the use of the of Bahadori et al. model for the prediction of aqueous solubility to the existing GSE model.
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http://dx.doi.org/10.1080/10837450.2017.1321663 | DOI Listing |
PLoS One
January 2025
Glycologix, Inc., 100 Cummings Center, Beverly, Massachusetts, United States of America.
Chemical modification of naturally derived glycosaminoglycans (GAGs) expands their potential utility for applications in soft tissue repair and regenerative medicine. Here we report the preparation of a novel crosslinked chondroitin sulfate (~200 to 2000 kilodaltons) that is both soluble in aqueous solution and microfilterable. We refer to these materials as "SuperGAGs.
View Article and Find Full Text PDFInt J Biol Macromol
January 2025
College of Pharmacy, Institute of Pharmaceutical Sciences and Technology, Hanyang University ERICA, Ansan 15588, Republic of Korea. Electronic address:
Limited aqueous solubility is a major hurdle resulting in poor and variable oral bioavailability, high doses, side effects, and the suboptimal therapeutic efficacy of sorafenib (SRF). In this study, we developed SRF-loaded solid lipid nanoparticles (SRF-SLNs) and lipid core-chitosan shell hybrid nanoparticles (CS-SRF-SLNs) to improve the oral absorption of SRF. SRF-SLNs were prepared using a stearyl alcohol core stabilized with a surfactant mixture, followed by surface decoration with chitosan to form CS-SRF-SLNs.
View Article and Find Full Text PDFChemistry
January 2025
University of Toronto, Chemistry, 80 St George Street, M5S 3H6, Toronto, CANADA.
The synthesis of polyferrocenyldimethylsilane-b-poly(L-glutamic acid) block copolymers was systematically explored. Rod-like and plate-like micelles were prepared from self-assembly of the block copolymers in aqueous solution with two different approaches. In a dissolution-dialysis approach, micelles were prepared by dissolving a block copolymer sample in excess aqueous base followed by the dialysis of the solution against water.
View Article and Find Full Text PDFNanoscale Adv
January 2025
Materials Science and Engineering Graduate Program, Faculty of Science, Mahidol University Bangkok 10400 Thailand
Triclosan (TCS) is used as an antibacterial agent in various products. One of the major issues associated with TCS is its limited solubility in aqueous media, which can reduce its effectiveness against bacteria. In this study, we enhanced the aqueous solubility and antibacterial activity of TCS by using a re-dispersible emulsion powder stabilized with gold nanoparticles (GNPs).
View Article and Find Full Text PDFCarbohydr Polym
March 2025
Department of Chemistry, Virginia Tech Center for Drug Discovery, Virginia Tech, Blacksburg, VA 24061, USA; Macromolecules Innovation Institute, Virginia Tech, Blacksburg, VA 24061, USA. Electronic address:
Combining polysaccharides with polypeptides enables growth of diverse nanostructures with minimal toxicity, low immune response, and potential biodegradability. However, examples of nanostructures combining polysaccharides with polypeptides are limited due to synthetic difficulties and related issues of solubility, purification, and characterization, with previous reports of polysaccharide-block-polypeptide block copolymers requiring methods such as polymer-polymer coupling and post-polymerization modifications paired with difficult purification steps. Here, we synthesized dextran-block-poly(benzyl glutamate) block copolymers in water via polymerization-induced self-assembly (PISA) to form nanostructures in situ, studying their morphologies using experimental methods and molecular modeling.
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