The thermodynamics of self-assembled monolayer formation: a computational and experimental study of thiols on a flat gold surface.

A methodology based on molecular dynamics simulations is presented to determine the chemical potential of thiol self-assembled monolayers on a gold surface. The thiol de-solvation and then the monolayer formation are described by thermodynamic integration with a gradual decoupling of one molecule from the environment, with the necessary corrections to account for standard state changes. The procedure is applied both to physisorbed undissociated thiol molecules and to chemisorbed dissociated thiyl radicals, considering in the latter case the possible chemical potential of the produced hydrogen.

Multi-locus sequence typing, antimicrobials resistance and virulence profiles of Salmonella enterica isolated from bovine carcasses in Minas Gerais state, Brazil.

The aim of this study was to identify virulence and antimicrobial resistance profiles and determine the sequence type (ST) by multilocus sequence typing (MLST) of Salmonella enterica isolates from bovine carcasses from slaughterhouse located in Minas Gerais state, Brazil, and its relationship with bovine isolates obtained on the American continent based on sequence type profile. The MLST results were compared with all Salmonella STs associated with cattle on American continent, and a multi-locus sequence tree (MS tree) was built. Among the 17 S.

Prevalence of cysticercosis in cattle slaughterhouses in the western region of Minas Gerais, Brazil (2013-2020): Influence of sanitary regulations in reducing risks to human health.

Bovine cysticercosis is a foodborne zoonosis that has a worldwide distribution, and its highest prevalence is found in developing countries with a large volume of cattle production, such as Brazil. The objective was to evaluate the prevalence of cysticercosis during seven years in three slaughterhouses located in the western region of Minas Gerais state, Brazil, and the impacts of the legislation on the identification and destination of infected carcasses. Three slaughterhouses (Sl) were selected for this study with averages of 200 (SlA), 721 (SlB) and 1138 (SlC) bovines slaughtered per day.

Time series evaluation of condemnation at poultry slaughterhouses enable to export in Southeastern Brazil (2009-2019): a tool for optimizing resources in the poultry production chain.

Background: Even with the technological advances in management, health and genetics applied to poultry farming worldwide, there is still a high rate of carcasses condemnation at slaughterhouses, which result in losses for the poultry production chain. Thus, this work aimed to evaluate the condemnation occurrence index (COI) and adjusted seasonal index (ASI) of poultry (turkey, griller, and heavy chicken) between 2009 and 2019, in a slaughterhouse enable to export in southeastern Brazil. Data were obtained from official spreadsheets from the Brazilian Federal Inspection Service (FIS) and used to calculate the COI, correlation analysis between the main causes of condemnation, and ASI assessments throughout the year.

Influence of Pore Size in Benzoin Condensation of Furfural Using Heterogenized Benzimidazole Organocatalysts.

A designed N-heterocyclic carbene (NHC) catalyst was covalently anchored on a range of mesoporous and hierarchical supports, to study the influence of pore size in the benzoin condensation of furfural. The structural and spectroscopic characteristics of the anchored catalysts were investigated, also with the help of molecular dynamics simulations, in order to rationalize the degree of stability and recyclability of the heterogenized organocatalysts. Quantitative yields (99 %) and complete recyclability were maintained after several cycles, vindicating the design rationale.