This study demonstrates that it is possible to get valuable information on the individual populations of a binary mixture from the signal obtained by Taylor dispersion analysis (TDA). In the case of mixtures composed of two populations of different sizes (such as a monomer/polymer mixture), the information available from TDA is not restricted to an average diffusion coefficient or an average hydrodynamic radius calculated on the entire binary mixture. In this work, TDA was used to monitor a polymerization reaction. In this scope, it has been possible to determine the degree of conversion and the weight average hydrodynamic radius of the polymer at different reaction times. Three different methods are proposed for the data processing of taylorgrams derived from polymerization mixtures or, more generally, for taylorgrams of binary mixtures. These three methods, either based on deconvolution or on integration of the signal, were found to give similar results. TDA results obtained for a model binary mixture of acrylamide and standard polyacrylamide were consistent with DLS experiments provided that the differences in the type of average hydrodynamic radius values between the two methods are taken into account. An example of application to the monitoring of acrylamide radical polymerization is shown.
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http://dx.doi.org/10.1021/ac902397x | DOI Listing |
Environ Toxicol Chem
January 2025
School of Environmental Science and Engineering, Nanjing University of Information Science and Technology, Nanjing, PR China.
In silico methods are increasingly important in predicting the ecotoxicity of engineered nanomaterials (ENMs), encompassing both individual and mixture toxicity predictions. It is widely recognized that ENMs trigger oxidative stress effects by generating intracellular reactive oxygen species (ROS), serving as a key mechanism in their cytotoxicity studies. However, existing in silico methods still face significant challenges in predicting the oxidative stress effects induced by ENMs.
View Article and Find Full Text PDFJ Phys Chem B
January 2025
Centre for Lasers & Photonics, Indian Institute of Technology Kanpur, Kanpur, Uttar Pradesh 208016, India.
Nonideality in a binary solvent mixture is manifested through anomalies in various physical properties like viscosity, dielectric constant, polarity, freezing point, boiling point, and so forth. Sometimes, such anomalies become much more prominent, leading to a synergistic behavior, where the physical property of the mixture is way different from its bulk counterparts. Various alcohols/chlorinated methane binary solvent mixtures show such a synergistic behavior.
View Article and Find Full Text PDFJ Chem Phys
January 2025
Department of Chemical Engineering, University of Massachusetts Amherst, 686 North Pleasant Street, Amherst, Massachusetts 01003-9303, USA.
A comprehensive set of single-component and binary isotherms were collected for ethanol/water adsorption into the siliceous forms of 185 known zeolites using grand-canonical Monte Carlo simulations. Using these data, a systematic analysis of ideal/real adsorbed-solution theory (IAST/RAST) was conducted and activity coefficients were derived for ethanol/water mixtures adsorbed in different zeolites based on RAST. It was found that activity coefficients of ethanol are close to unity while activity coefficients of water are larger in most zeolites, indicating a positive excess free energy of the mixture.
View Article and Find Full Text PDFJ Phys Chem B
January 2025
Laboratory of Engineering Thermodynamics, RPTU Kaiserslautern, Erwin-Schrödinger-Str. 44, Kaiserslautern 67663, Germany.
Methods for predicting Henry's law constants describing the solubility of solutes in solvents as a function of temperature are essential in chemical engineering. While isothermal properties of binary mixtures can conveniently be predicted with matrix completion methods (MCMs) from machine learning, we advance their application to the temperature-dependent prediction of in the present work by combining them with physical equations describing the temperature dependence. For training the methods, experimental data for 122 solutes and 399 solvents ranging from 173.
View Article and Find Full Text PDFBiosystems
January 2025
Lomonosov Moscow State University, Moscow, Russian Federation. Electronic address:
As an important part of lipid metabolism the liver produces large particles called very low density lipoproteins, filled mostly with triglyceride and cholesterol esters mixture. A large percentage of the mixture composition components has a melting point above physiological temperature. Thus solid cluster formation or phase transition could be expected.
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