Raman spectra of 1,1,3,3-tetramethylurea in 20 solvents were obtained to investigate the solute-solvent interactions and to correlate solvent properties such as the Kirkwood-Bauer-Magat (KBM)equation, the solvent acceptor number (AN)and the linear solvation energy relationships (LSER), respectively, with the Raman shifts of carbonyl group. There is little linear relation between dielectric constants and the Raman shift. These solvents were divided into two sections by the acceptor number. The two sections exhibit a good correlation with AN, respectively. These frequencies show a better correlation with LSER than the solvent AN. How the solvents interacts with the C==O can be obtained from the regression coefficients.
Download full-text PDF |
Source |
|---|
Publication Analysis
Top Keywords
Similar Publications
A theoretical comparison of different third component content in ternary organic solar cells.
Phys Chem Chem Phys
January 2025
School of Chemistry and Environmental Engineering, Changchun University of Science and Technology, Jilin Provincial Science and Technology Innovation Center of Optical Materials and Chemistry, Jilin Provincial International Joint Research Center of Photo-functional Materials and Chemistry, Changchun, 130022, China.
Ternary solar cells have been rapidly developed in the realm of organic solar cells (OSCs). The incorporation of a third component into a cell results in a complicated active layer morphology, and the relation of this morphology to power conversion efficiency remains elusive. In this work, two ternary active layers, B1:Y7 (10 wt%):BO-4Cl and B1:Y7 (50 wt%):BO-4Cl are constructed, and the reasons for the differences in PCE caused by varying the Y7 content are investigated using theoretical calculations.
View Article and Find Full Text PDFZeolite-like algal biochar nanoparticles for enhanced antibiotics removal: Sorption mechanisms and theoretical calculations.
Colloids Surf B Biointerfaces
December 2024
National Engineering Research Center for Marine Aquaculture, Zhejiang Ocean University, Zhoushan, Zhejiang 316022, China.
In the study, Sargassum horneri (S. horneri) was used to create a novel zeolite-like algal biochar (KSBC). KSBC with doping of N, O, S, Al, and Si, displayed zeolite-like properties, including well-developed porosity, a high specific surface area (1137.
View Article and Find Full Text PDFAdvanced analysis via statistical physics model to study the efficiency of catechol removal from wastewater using Brazil nut shell activated carbon.
Sci Rep
December 2024
Research Group On Adsorptive and Catalytic Process Engineering (ENGEPAC), Federal University of Santa Maria, Av. Roraima, 1000-8, Santa Maria, RS, 97105-900, Brazil.
This paper presented the preparation, characterization, and adsorption properties of Brazil nut shell activated carbon for catechol removal from aqueous solutions. The equilibrium adsorption of catechol molecules on this activated was experimentally quantified at pH 6 and temperatures ranging from 25 to 55 °C, and at 25 °C and pH ranging from 6 to 10. These results were utilized to elucidate the role of surface functionalities through statistical physics calculations.
View Article and Find Full Text PDFSphk1/S1P pathway promotes blood-brain barrier breakdown after intracerebral hemorrhage through inducing Nlrp3-mediated endothelial cell pyroptosis.
Cell Death Dis
December 2024
Department of Neurosurgery, The First Affiliated Hospital of Zhengzhou University, Zhengzhou, Henan Province, 450000, China.
Intracerebral hemorrhage (ICH) is a severe stroke subtype with high mortality and limited therapeutic options. The blood-brain barrier (BBB) breakdown post-ICH exacerbates secondary brain injury, highlighting the need for targeted therapies to preserve the BBB integrity. We aim to investigate the role of the Sphk1/S1P pathway in BBB breakdown following ICH and to evaluate the therapeutic potential of Sphk1 inhibition in mitigating this breakdown.
View Article and Find Full Text PDFHigh-Throughput Microarray Approaches for Predicting the Stability of Drug-Polymer Solid Dispersions.
Mol Pharm
December 2024
School of Pharmacy, University of Nottingham, University Park, Nottingham NG7 2RD, United Kingdom.
Amorphous solid dispersions (ASDs) offer a well-recognized strategy to improve the effective solubility and, hence, bioavailability of poorly soluble drugs. In this study, we developed an extensive library of a significant number of solid dispersion formulations using a library of chemically diverse drugs combined with a water-soluble polymer (polyvinylpyrrolidone vinyl acetate, PVPVA) at different loadings. These formulations were printed as microarrays of solid dispersion formulations, utilizing minimal material amounts (nanograms).
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!