An ab initio study of the effect of hydration on the vibrational spectrum of hydrogen sulfate
Publication date: Available online 17 February 2020Source: Computational and Theoretical ChemistryAuthor(s): Cory C. PyeAbstractThe geometries, energies, and vibrational frequencies of various isomers of HSO4-(H2O)n, n = 0 – 6 are calculated at various levels up to MP2/6-31+G*. These properties are studied as a function of increasing cluster size. The experimental and theoretical vibrational spectra are compared. The calculations help to explain the observed full-widths at half-height, the rather large temperature dependence of the S-OH stretching frequency, and the apparent discrepancy of the S-OH stretching and SOH deformation frequencies between ionic liquid and aqueous media.Graphical abstract
Authors: Zhylkaidarova A, Kaidarova D, Batyrbekov K, Shatkovskaya O, Begimbetova D Abstract We carried out an analysis of the total incidence of colon cancer throughout Kazakhstan. Retrospectively, according to the regional reports on endoscopic screening, the study showed an increase in the age-related incidence of colorectal cancer (CRC) cases from 2004-2008 to 2009-2014. The peak of morbidity in both periods was noted in the age category of>70 years. The indicators of the territorial distribution of CRC incidence make it possible to divide the regions into areas with low or high rates of CRC. Specific indicat...
Conclusions: The transduodenal approach for obtaining samples from solid lesions using a 19-G flexible needle seems feasible and accurate. PMID: 32447874 [PubMed - as supplied by publisher]