WHIM-3D-QSPR APPROACH FOR PREDICTING AQUEOUS SOLUBILITY OF CHLORINATED HYDROCARBONS
Indonesian Journal of Chemistry, 2010 The weighted holistic invariant molecular-three dimensional-quantitative structure property relationship (WHIM-3D-QSPR) approach has been applied to the study of the aqueous solubility (- log Sw) of chlorinated hydrocarbon compounds (CHC's). The obtained
Oman Zuas
doaj +1 more source
MultiDK: A Multiple Descriptor Multiple Kernel Approach for Molecular Discovery and Its Application to The Discovery of Organic Flow Battery Electrolytes [PDF]
arXiv, 2016 We propose a multiple descriptor multiple kernel (MultiDK) method for efficient molecular discovery using machine learning. We show that the MultiDK method improves both the speed and the accuracy of molecular property prediction. We apply the method to the discovery of electrolyte molecules for aqueous redox flow batteries. Using \emph{multiple-type -
arxiv
Cloud droplet activation: solubility revisited
, 2007 International audienceSoluble compounds present in atmospheric aerosol facilitate their transformation into cloud droplets by depressing the equilibrium vapor pressure required for activation.
Nenes, A., Padró, L. T.
core +1 more source
Kaempferol-Phospholipid Complex: Formulation, and Evaluation of Improved Solubility, In Vivo Bioavailability, and Antioxidant Potential of Kaempferol [PDF]
, 2016 The current work describes the formulation and evaluation of a phospholipid complex of kaempferol toenhance the latter’s aqueous solubility, in vitro dissolution rate, in vivo antioxidant and hepatoprotectiveactivities, and oral bioavailability.
Anand, Sridhar +5 more
core +2 more sources
Performance Comparison of Surface Sensitizers for Diode Laser Powder Bed Fusion of Polyamide 12
Advanced Engineering Materials, EarlyView.Laser‐generated nanoparticles transform standard PA12 powders into high‐performance, dye‐free feedstocks for diode laser 3D printing. Despite identical absorbance at 808 nm, CuS, LaB6, and CB coatings reveal striking differences in fusion and strength—unlocking new design space for recyclable, industrial‐grade polymers.
Michael Willeke +9 more
wiley +1 more source
Phase behavior and mesoscale solubilization in aqueous solutions of hydrotropes [PDF]
arXiv, 2013 Hydrotropes are amphiphilic molecules that are too small to spontaneously form equilibrium structures in aqueous solutions, but form dynamic, noncovalent assemblies, referred to as clusters. In the presence of a hydrophobic compound, these clusters seem to get stabilized leading to the formation of long-lived, highly stable mesoscopic droplets, a ...
arxiv
Nucleation in aqueous NaCl solutions shifts from 1-step to 2-step mechanism on crossing the spinodal
, 2018 In this work, we use large-scale molecular dynamics simulations coupled to free energy calculations to identify for the first time a limit of stability (spinodal) and a change in the nucleation mechanism in aqueous NaCl solutions.
Debenedetti, Pablo G. +2 more
core +1 more source
Advanced Engineering Materials, EarlyView.Prestraining the substrate influences coating formation process. Higher prestraining force leads to higher coating thickness and lower hardness. Increase in prestraining force enhances preliminary damage in hard anodic coating. Fatigue damage mechanisms change for hard anodized prestrained samples.
Linto George Thomas +4 more
wiley +1 more source
Preparation of tacrolimus ophthalmic solution using cyclodextrins
مجله دانشگاه علوم پزشکی بیرجند, 2017 Background and Aim: Application of topical tacrolimus in Vernal Keratoconjunctivitis is considered as an alternative to steroids. Due to the low aqueous solubility of the drug, preparing a solution of the drug has got particular importance.
Farzaneh Hajiahmadi +3 more
doaj
Near-infrared studies of glucose and sucrose in aqueous solutions: water displacement effect and red shift in water absorption from water-solute interaction [PDF]
Applied Spectroscopy 67, 171-180(2012), 2013 We use near infrared spectroscopy to obtain concentration dependent glucose absorption spectra in their aqueous solutions in the near-infrared range (3800 - 7500 cm^{-1}). We introduce a new method to obtain reliable glucose absorption bands from aqueous glucose solutions without measuring the water displacement coefficients of glucose separately ...
arxiv