1-Hydr­oxy-3-(3-methyl­but-2-en­yloxy)xanthone

In the title compound, C18H16O4, a monoprenylated xanthone, the xanthone skeleton exhibits an essentially planar conformation (r.m.s. deviation 0.0072 Å) and the isoprenyl side chain remains approximately in the mean plane of the xanthone unit, making a dihedral angle of 4.5 (2)°. The hydroxyl group forms an intra­molecular O—H⋯O hydrogen bond. Moreover, there is a weak inter­molecular C—H⋯O inter­action between a ring C atom and the xanthene O atom. In the crystal structure, there are no inter­molecular hydrogen bonds and the crystallographic packing is governed by van der Waals forces, leading to an arrangement in which the mol­ecules assemble with their planes parallel to each other, having a separation of 3.6 (3) Å

Carbapenem-resistant Pseudomonas aeruginosa - clonal spread in Southern Brazil and in the State of Goias

This study evaluated the clonal spread of carbapenem-resistant P. aeruginosa producing SPM-1 type metallo-beta-lactamase (MBL), at the university hospital of Florianopolis, Santa Catarina, Brazil, compared to an epidemic clone previously reported, as well as strains collected in other three Brazilian states. Among the isolates, 17 (62%) were clonal and highly related to strains from other regions of Brazil. Six clonal strains harbored the bla(SPM-1) gene. the finding of a unique SPM-1 producer clone suggests that its dissemination has contributed to the high resistance to carbapenems in Brazilian hospitals.Univ Fed Parana, Hosp Clin, Serv Anal Clin, BR-80060000 Curitiba, Parana, BrazilUniv Fed Santa Catarina, Univ Hosp, Serv Patol Clin, BR-88040900 Florianopolis, SC, BrazilUniversidade Federal de São Paulo, Dept Doencas Infecciosas, São Paulo, BrazilHosp Clin Porto Alegre, Serv Patol Clin, Porto Alegre, RS, BrazilUniv Catolica Goias, Dept Enfermagem, Goiania, Go, BrazilUniv Catolica Goias, Dept Med, Goiania, Go, BrazilFac Pequeno Principe, Inst Pesquisa Pele Pequeno Principe, Curitiba, Parana, BrazilUniversidade Federal de São Paulo, Dept Doencas Infecciosas, São Paulo, BrazilWeb of Scienc

Energetic and structural characterization of 2-R-3-methylquinoxaline-1,4-dioxides (R = benzoyl or tert-butoxycarbonyl): experimental and computational studies

The gaseous standard molar enthalpies of formation of two 2-R-3-methylquinoxaline-1,4-dioxides (R = benzoyl or tert-butoxycarbonyl), at T = 298.15 K, were derived using the values for the enthalpies of formation of the compounds in the condensed phase, measured by static bomb combustion calorimetry, and for the enthalpies of sublimation, measured by Knudsen effusion, using a quartz crystal oscillator. The three dimensional structure of 2-tert-butoxycarbonyl-3-methylquinoxaline-1,4-dioxide has been obtained by X-ray crystallography showing that the two N-O bond lengths in this compound are identical. The experimentally determined geometry in the crystal is similar to that obtained in the gas-phase after computations performed at the B3LYP/6-311 + G(2d,2p) level of theory. The experimental and computational results reported allow to extend the discussion about the influence of the molecular structure on the dissociation enthalpy of the N-O bonds for quinoxaline 1,4-dioxide derivatives. As found previously, similar N-O bond lengths in quinoxaline-1,4-dioxide compounds are not linked with N-O bonds having the same strength. Copyright (c) 2007 John Wiley & Sons, Ltd

Iodine Atoms: A New Molecular Feature for the Design of Potent Transthyretin Fibrillogenesis Inhibitors

The thyroid hormone and retinol transporter protein known as transthyretin (TTR) is in the origin of one of the 20 or so known amyloid diseases. TTR self assembles as a homotetramer leaving a central hydrophobic channel with two symmetrical binding sites. The aggregation pathway of TTR into amiloid fibrils is not yet well characterized but in vitro binding of thyroid hormones and other small organic molecules to TTR binding channel results in tetramer stabilization which prevents amyloid formation in an extent which is proportional to the binding constant. Up to now, TTR aggregation inhibitors have been designed looking at various structural features of this binding channel others than its ability to host iodine atoms. In the present work, greatly improved inhibitors have been designed and tested by taking into account that thyroid hormones are unique in human biochemistry owing to the presence of multiple iodine atoms in their molecules which are probed to interact with specific halogen binding domains sitting at the TTR binding channel. The new TTR fibrillogenesis inhibitors are based on the diflunisal core structure because diflunisal is a registered salicylate drug with NSAID activity now undergoing clinical trials for TTR amyloid diseases. Biochemical and biophysical evidence confirms that iodine atoms can be an important design feature in the search for candidate drugs for TTR related amyloidosis

The retrospective analysis of Antarctic tracking data project

The Retrospective Analysis of Antarctic Tracking Data (RAATD) is a Scientific Committee for Antarctic Research project led jointly by the Expert Groups on Birds and Marine Mammals and Antarctic Biodiversity Informatics, and endorsed by the Commission for the Conservation of Antarctic Marine Living Resources. RAATD consolidated tracking data for multiple species of Antarctic meso- and top-predators to identify Areas of Ecological Significance. These datasets and accompanying syntheses provide a greater understanding of fundamental ecosystem processes in the Southern Ocean, support modelling of predator distributions under future climate scenarios and create inputs that can be incorporated into decision making processes by management authorities. In this data paper, we present the compiled tracking data from research groups that have worked in the Antarctic since the 1990s. The data are publicly available through biodiversity.aq and the Ocean Biogeographic Information System. The archive includes tracking data from over 70 contributors across 12 national Antarctic programs, and includes data from 17 predator species, 4060 individual animals, and over 2.9 million observed locations

Geographical Variability in the Likelihood of Bloodstream Infections Due to Gram-Negative Bacteria: Correlation with Proximity to the Equator and Health Care Expenditure (vol 9, e114548, 2014)

Hosp Univ Austral, Div Infect Dis Prevent & Infect Control Serv, Buenos Aires, DF, ArgentinaHosp Univ Austral, Microbiol Lab, Buenos Aires, DF, ArgentinaMonash Hlth, Monash Infect Dis, Clayton, Vic, AustraliaWollongong Hosp, Wollongong, NSW, AustraliaUniversidade Federal de São Paulo, Div Infect Dis, Lab Especial Microbiol Clin, São Paulo, BrazilHosp Israelita Albert Einstein, São Paulo, BrazilVirginia Commonwealth Univ, Med Ctr, Richmond, VA USAHosp Rim & Hipertensao, São Paulo, BrazilHosp Santa Casa Porto Alegre, Porto Alegre, RS, BrazilHosp Conceicao, Porto Alegre, RS, BrazilHosp Walter Cantidio, Fortaleza, Ceara, BrazilHosp Diadema, São Paulo, BrazilHosp Espanhol, Salvador, BA, BrazilHosp Clin Goiania, Goiania, Go, BrazilMt Sinai Hosp, Toronto, ON M5G 1X5, CanadaUniv Alberta, Div Infect Dis, Edmonton, AB, CanadaCairo Univ Kasr Ainy, Dar Al Fouad Hosp, Fac Med, Dept Clin Pathol, Cairo, EgyptHygeia Gen Hosp, Athens, GreeceUniv Tubingen Hosp, Internal Med, Div Infect Dis, Tubingen, GermanyTokyo Metropolitan Tama Med Ctr, Dept Infect Prevent, Tokyo, JapanAmphia Hosp Breda, Lab Microbiol & Infect Control, Breda, NetherlandsThammasat Univ Hosp, Div Infect Dis, Pathum Thani, ThailandSt John Hosp & Med Ctr, Infect Prevent & Control Dept, Grosse Pointe Woods, MI USAUniv Hosp Bern, Dept Infect Dis, CH-3010 Bern, SwitzerlandUniv Bern, Bern, SwitzerlandBarnes Jewish Hosp, St Louis, MO 63110 USAUniversidade Federal de São Paulo, Div Infect Dis, Lab Especial Microbiol Clin, São Paulo, BrazilWeb of Scienc

The retrospective analysis of Antarctic tracking data project

The Retrospective Analysis of Antarctic Tracking Data (RAATD) is a Scientific Committee for Antarctic Research project led jointly by the Expert Groups on Birds and Marine Mammals and Antarctic Biodiversity Informatics, and endorsed by the Commission for the Conservation of Antarctic Marine Living Resources. RAATD consolidated tracking data for multiple species of Antarctic meso- and top-predators to identify Areas of Ecological Significance. These datasets and accompanying syntheses provide a greater understanding of fundamental ecosystem processes in the Southern Ocean, support modelling of predator distributions under future climate scenarios and create inputs that can be incorporated into decision making processes by management authorities. In this data paper, we present the compiled tracking data from research groups that have worked in the Antarctic since the 1990s. The data are publicly available through biodiversity.aq and the Ocean Biogeographic Information System. The archive includes tracking data from over 70 contributors across 12 national Antarctic programs, and includes data from 17 predator species, 4060 individual animals, and over 2.9 million observed locations.Supplementary Figure S1: Filtered location data (black) and tag deployment locations (red) for each species. Maps are Lambert Azimuthal projections extending from 90° S to 20° S.Supplementary Table S1: Names and coordinates of the major study sites in the Southern Ocean and on the Antarctic Continent where tracking devices were deployed on the selected species (indicated by their 4-letter codes in the last column).Online Table 1: Description of fields (column names) in the metadata and data files.Supranational committees and organisations including the Scientific Committee on Antarctic Research Life Science Group and BirdLife International. National institutions and foundations, including but not limited to Argentina (Dirección Nacional del Antártico), Australia (Australian Antarctic program; Australian Research Council; Sea World Research and Rescue Foundation Inc., IMOS is a national collaborative research infrastructure, supported by the Australian Government and operated by a consortium of institutions as an unincorporated joint venture, with the University of Tasmania as Lead Agent), Belgium (Belgian Science Policy Office, EU Lifewatch ERIC), Brazil (Brazilian Antarctic Programme; Brazilian National Research Council (CNPq/MCTI) and CAPES), France (Agence Nationale de la Recherche; Centre National d’Etudes Spatiales; Centre National de la Recherche Scientifique; the French Foundation for Research on Biodiversity (FRB; www.fondationbiodiversite.fr) in the context of the CESAB project “RAATD”; Fondation Total; Institut Paul-Emile Victor; Programme Zone Atelier de Recherches sur l’Environnement Antarctique et Subantarctique; Terres Australes et Antarctiques Françaises), Germany (Deutsche Forschungsgemeinschaft, Hanse-Wissenschaftskolleg - Institute for Advanced Study), Italy (Italian National Antarctic Research Program; Ministry for Education University and Research), Japan (Japanese Antarctic Research Expedition; JSPS Kakenhi grant), Monaco (Fondation Prince Albert II de Monaco), New Zealand (Ministry for Primary Industries - BRAG; Pew Charitable Trusts), Norway (Norwegian Antarctic Research Expeditions; Norwegian Research Council), Portugal (Foundation for Science and Technology), South Africa (Department of Environmental Affairs; National Research Foundation; South African National Antarctic Programme), UK (Darwin Plus; Ecosystems Programme at the British Antarctic Survey; Natural Environment Research Council; WWF), and USA (U.S. AMLR Program of NOAA Fisheries; US Office of Polar Programs).http://www.nature.com/sdataam2021Mammal Research Institut