Multicomponent methods are a conceptually simple way to include nuclear quantum effects into quantum chemistry calculations. In multicomponent methods, the electronic molecular orbitals are described using the linear combination of atomic orbitals approximation. This requires the selection of a one-particle electronic basis set which, in practice, is commonly a correlation-consistent basis set.
View Article and Find Full Text PDFThe long-term stability of culturally transmitted traits like bird song has attracted much attention from researchers; however, it remains insufficiently studied up to the present time. This study investigates, by using spectrographic analysis, whether the repertoire of song types recorded at the same locality is persistent at short terms (of four years) and at long terms (of 38 years) in a migratory European continental population of chaffinches. The population song type repertoires recorded in 1978 and 1982 were only slightly different, thus indicating the high repertoire persistence within a few years.
View Article and Find Full Text PDFAim: To determine the criteria for the optimal use of IL-6 receptor blockers in patients with COVID-19 community-acquired pneumonia based on predictors of adverse outcomes.
Materials And Methods: The single-center, non-randomized prospective study included 190 patients with community-acquired pneumonia caused by coronavirus 2 between the beginning of March and the end of May 2020. Of these, 89 patients received tocilizumab and 101 patients received sarilumab.
We describe a retrospective cohort, 156 patients with chronic lymphocytic leukemia (CLL) diagnosed with COVID-19, analyze factors associated with a severe disease course and the effects of various treatment regimens. Anti-SARS-CoV-2 IgG and IgM levels are significantly lower. Patients with CLL are more likely to have a severe course of COVID-19, with IL-6 levels acting as a consistent biomarker of disease severity.
View Article and Find Full Text PDFBackground: Pandemic COVID-19 pneumonia due to SARS-2 is an important cause of morbidity and mortality. Emerging evidence links poor outcomes to an inflammatory cytokine storm.
Methods: We treated 89 hospitalized patients with COVID-19 pneumonia and heightened systemic inflammation (elevated serum C reactive protein and interleukin-6 levels) with an infusion of tocilizumab (TCZ), a human monoclonal IgG1 antibody to the interleukin-6 receptor.