7-Bromo-4b-methyl-7,8-dihydro-4bH-9-thia-8a-aza­fluorene 9,9-dioxide

The title compound, C12H12BrNO2S, was isolated after direct irradiation (hν 350 nm, hexa­ne) of a mixture of stereoisomeric sulfonamides containing a vicinal dibromide and a conjugated diene. This product is one of a group of substrates that has contributed to our understanding of the photoreactivity patterns of non-bridged sulfonamides. The crystal structure was determined from a non-merohedrally twinned data set, where the twin law corresponded to a 180° rotation about the a* axis. The minor twin component refined to a value of 0.176 (3). The conformation of the mol­ecule is planar at one end, as the benzene ring and the adjacent fused five-membered ring are coplanar, and U-shaped at the other end, where the five-membered ring is fused to the heterocyclic six-membered ring containing an allyl bromide group

A low-temperature phase of bis(tetrabutylammonium) octa-l3-chloridohexachlorido- octahedro-hexatungstate

The article discusses the low-temperature phase of bis(tetrabutylammonium) octa-µ3-chlorido-hexachlorido-octahedro-hexa-tungstate, which undergoes a reversible phase transition at 268 K. The unit cells of the room- and low-temperature polymorphs of this compound are found to be closely related. The hydrocarbon chain of one of the tetrabutylammonium cations is found to be disordered at both 150 and 200 K

Sistema de información solar (SISol) : Aportes a la implementación de políticas públicas de energías renovables en Salta

Presentamos el desarrollo de una herramienta web que permite consultar información y realizar cálculos básicos para la implementación de sistemas de energía solar en la provincia de Salta. Surge de la interacción entre el sector académico-científico (grupo Planificación Energética y Gestión Territorial del Instituto de Investigación en Energías No Convencionales) y el sector gubernamental a nivel provincial (Secretaría de Energía de Salta). Fue realizado en un entorno SIG (Sistemas de Información Geográfica) mediante la utilización de metodologías ágiles de desarrollo de software. El Sistema de Información Solar (SISol) generado cuenta con cinco módulos. Dos de ellos de consulta geoespacial de radiación solar y temperatura, otros dos de análisis técnico y financiero para la instalación de sistemas fotovoltaicos y de colectores solares para agua caliente. El último con la documentación de respaldo. Será un facilitador al acceso a la información y la toma de decisiones en el ámbito público y privado.The work presents the development of a web tool that allows consulting information and performing basic calculations for the implementation of solar energy systems in the province of Salta. The application arises from the interaction between the academic-scientific sector (Energy Planning and Territorial Management group of the Research Institute in Unconventional Energies) and the governmental sector at provincial level (Secretariat of Energy of Salta). The program was carried out in a GIS (Geographic Information Systems) environment with agile software development methodologies. The Solar Information System (SISol) generated has five interfaces or modules. The first two allow the geospatial query of solar radiation and temperature. Modules 3 and 4 allow a technical and financial analysis for the installation of photovoltaic systems and solar collectors for hot water. The last interface presents the supporting documentation for the calculations and provides technical and operational details of the program. It is expected that this application will have a positive impact on the implementation of renewable energy policies in the province, facilitating access to information and decision-making in the public and private sectors.Asociación Argentina de Energías Renovables y Medio Ambiente (ASADES

Supplementary data for article: Chen, S.; Ruan, Y.; Brown, J. D.; Gallucci, J.; Maslak, V.; Hadad, C. M.; Bađić, J. D. Assembly of Amphiphilic Baskets into Stimuli-Responsive Vesicles. Developing a Strategy for the Detection of Organophosphorus Chemical Nerve Agents. Journal of the American Chemical Society 2013, 135 (40), 14964–14967. https://doi.org/10.1021/ja408585j

Supporting information for: [https://doi.org/10.1021/ja408585j]Related to published version: [http://cherry.chem.bg.ac.rs/handle/123456789/1427

(+)-(1S,5R,10S)-11,11-Dimeth­yl-4-oxa­tricyclo­[8.4.0.01,5]tetra­deca­ne-3,12-dione

The title compound, C15H22O3, was prepared via amino-acid-promoted Robinson annulation followed by tandem Pd/C-mediated hydrogenation and oxidative cyclization. This product was instrumental in determining the feasibility of a stereocontrolled hydrogenation in which the directing hydroxyl group is adjacent to the 6–7-ring network and its olefinic component. The asymmetric unit consists of a single mol­ecule with normal geometric parameters. The absolute configuration was assigned based on the known enanti­omeric prescursor. Inter­molecular C—H⋯O inter­actions link each mol­ecule with four neighboring mol­ecules

Supplementary data for article: Chen, S.; Ruan, Y.; Brown, J. D.; Gallucci, J.; Maslak, V.; Hadad, C. M.; Bađić, J. D. Assembly of Amphiphilic Baskets into Stimuli-Responsive Vesicles. Developing a Strategy for the Detection of Organophosphorus Chemical Nerve Agents. Journal of the American Chemical Society 2013, 135 (40), 14964–14967. https://doi.org/10.1021/ja408585j

Supporting information for: [https://doi.org/10.1021/ja408585j]Related to published version: [http://cherry.chem.bg.ac.rs/handle/123456789/1427

Final report of the short-term contract for ICCAT SMYTP for the biological samples collection for growth, maturity and genetics studies – Year #3

This document is the final report of the third year of the short-term contract of the Small Tuna Year Program by ICCAT, with the objectives of: a) conduct additional sampling aiming to fill the specific gaps of the biological samples for estimating the growth and maturity parameters for BON and LTA; b) estimate the referred parameters for both species, and preliminary provide preliminary results for WAH; and, c) refine the sampling and stock structure analysis for BON, LTA and WAH. A total of 374 individuals were collected: 145 of BON, 139 of LTA and 90 WAH. Initial target size class was accomplished only for BON in the Mediterranean. Small individuals are need in the Northeast and no samples were obtained in Southeast Atlantic. For LTA, total target sizes were not completely achieved in any case. However, preliminary results were obtained for growth and reproductive parameters. For BON, with samples arrived from Morocco, no genetic differentiation was detected, and the hypothesis provided in the previous contract is maintained. The population genetic analysis of WAH presents a scenario of homogeneous distribution.En prensa

Desolvation and Dehydrogenation of Solvated Magnesium Salts of Dodecahydrododecaborate: Relationship between Structure and Thermal Decomposition

Attempts to synthesize solvent-free MgB_(12)H_(12) by heating various solvated forms (H_2O, NH_3, and CH_3OH) of the salt failed because of the competition between desolvation and dehydrogenation. This competition has been studied by thermogravimetric analysis (TGA) and temperature-programmed desorption (TPD). Products were characterized by IR, solution- and solid-state NMR spectroscopy, elemental analysis, and single-crystal or powder X-ray diffraction analysis. For hydrated salts, thermal decomposition proceeded in three stages, loss of water to form first hexahydrated then trihydrated, and finally loss of water and hydrogen to form polyhydroxylated complexes. For partially ammoniated salts, two stages of thermal decomposition were observed as ammonia and hydrogen were released with weight loss first of 14 % and then 5.5 %. Thermal decomposition of methanolated salts proceeded through a single step with a total weight loss of 32 % with the release of methanol, methane, and hydrogen. All the gaseous products of thermal decomposition were characterized by using mass spectrometry. Residual solid materials were characterized by solid-state 11B magic-angle spinning (MAS) NMR spectroscopy and X-ray powder diffraction analysis by which the molecular structures of hexahydrated and trihydrated complexes were solved. Both hydrogen and dihydrogen bonds were observed in structures of [Mg(H_2O_6B_(12)H_(12)]⋅6 H_2O and [Mg(CH_3OH)_(6)B_(12)H_(12)]⋅6 CH_3OH, which were determined by single-crystal X-ray diffraction analysis. The structural factors influencing thermal decomposition behavior are identified and discussed. The dependence of dehydrogenation on the formation of dihydrogen bonds may be an important consideration in the design of solid-state hydrogen storage materials

The FDA-Approved Drug Cobicistat Synergizes with Remdesivir To Inhibit SARS-CoV-2 Replication In Vitro and Decreases Viral Titers and Disease Progression in Syrian Hamsters

Combinations of direct-acting antivirals are needed to minimize drug resistance mutations and stably suppress replication of RNA viruses. Currently, there are limited therapeutic options against the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), and testing of a number of drug regimens has led to conflicting results. Here, we show that cobicistat, which is an FDA-approved drug booster that blocks the activity of the drug-metabolizing proteins cytochrome P450-3As (CYP3As) and P-glycoprotein (P-gp), inhibits SARS-CoV-2 replication. Two independent cell-to-cell membrane fusion assays showed that the antiviral effect of cobicistat is exerted through inhibition of spike protein-mediated membrane fusion. In line with this, incubation with low-micromolar concentrations of cobicistat decreased viral replication in three different cell lines including cells of lung and gut origin. When cobicistat was used in combination with remdesivir, a synergistic effect on the inhibition of viral replication was observed in cell lines and in a primary human colon organoid. This was consistent with the effects of cobicistat on two of its known targets, CYP3A4 and P-gp, the silencing of which boosted the in vitro antiviral activity of remdesivir in a cobicistat-like manner. When administered in vivo to Syrian hamsters at a high dose, cobicistat decreased viral load and mitigated clinical progression. These data highlight cobicistat as a therapeutic candidate for treating SARS-CoV-2 infection and as a potential building block of combination therapies for COVID-19