A Robust Algorithm for Roots Selection and Saturation Pressure Calculation for Cubic Equations of State

Journal of Solution Chemistry - In this work, a robust and rigorous procedure for roots calculation and selection for a Cubic Equation of State is presented. Roundoff errors are detected and...     

Synthesis and Antifungal Activity of New Valine-Azole Hybrids

Russian Journal of General Chemistry - Herein, the synthesis of six new derivatives via molecular hybridization of imidazole or triazole and valine methyl ester as a rational design for accessing...     

Current Status of COVID-19 (Pre)Clinical Vaccine Development

The current COVID-19 pandemic has a tremendous impact on daily life world-wide. Despite the ability to dampen the spread of SARS-CoV-2, the causative agent of the diseases, through restrictive interventions, it is believed that only effective vaccines will provide sufficient control over the disease and revert societal live back to normal. At present, a double-digit number of efforts are devoted to the development of a vaccine against COVID-19. Here, we provide an overview of these (pre)clinical efforts and provide background information on the technologies behind these vaccines. In addition, we discuss potential hurdles that need to be addressed prior to mass scale clinical translation of successful vaccine candidates.     

Un théorème de point fixe pour les endomorphismes de l’espace projectif avec des applications aux feuilletages algébriques

Résumé. On construit des relations algébriques qui lient les multiplicateurs des points fixes des endomorphismes de lespace projectif sur un corps algébriquement clos. Ces relations généralisent celles qui sont obtenues via le Théorème holomorphe de point fixe de Lefchetz dans le cas complexe. En exploitant lisomorphie de certains espaces de représentation on obtient, comme corollaire de ce résultat, un théorème ressemblant à celui de Baum-Bott pour les feuilletages algébriques et les champs de vecteurs homogènes.     

On the 𝔉‐hypercentre of a finite group

The main objective of this paper is to study and describe the hypercentre of a finite group associated with saturated formations, in terms of some subgroup embedding properties related to permutability. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Crystal structure and theoretical calculations of Julocrotine,a natural product with antileishmanial activity

Julocrotine, N‐(2,6‐dioxo‐1‐phenethyl‐piperidin‐3‐yl)‐2‐methyl‐butyramide, is a potent antiproliferative agent against the promastigote and amastigote forms of Leishmania amazonensis (L.). In this work, the crystal structure of Julocrotine was solved by X‐ray diffraction, and its geometrical parameters were compared with theoretical calculations at the B3LYP and HF level of theory. IR and NMR spectra also have been obtained and compared with theoretical calculations. IR absorptions calculated with the B3LYP level of theory employed together with the 6‐311G+(d,p) basis set, are close to those observed experimentally. Theoretical NMR calculations show little deviation from experimental results. The results show that the theory is in accordance with the experimental data. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2008