Isomeric Speciation of Bisbenzoxazine Intermediates by Ion Spectroscopy and Ion Mobility Mass Spectrometry.

Bisbenzoxazines () are a relevant model for the diverse bifunctional benzoxazines that are used to increase the polybenzoxazines cross-linking extensions and modulate the final resin properties for various usages. The presence of side products and intermediates during monomer formation can influence the resin characteristics by inducing chain termination and ramifications, affecting the polymerization and cure processes. This work investigated the diverse isomeric intermediates and side products that are present during the formation from bisphenol A, aniline, and formaldehyde by ion mobility coupled to mass spectrometry (MS/MS) and ion spectroscopy techniques.

1-Iodoglycal: A Versatile Intermediate for the Synthesis of d-Glyco Amides and Esters Employing Carbonylative Cross-Coupling Reaction.

In this study, we present the development of two catalytic processes: a Pd-PEPPSI-catalyzed aminocarbonylation and a Pd(OAc)-Xantphos-catalyzed alkoxycarbonylation of d-glycals, utilizing carbonylative cross-coupling reactions. We explored successfully various types of aromatic amines, as well as alkyl amines and amino acids, to synthesize new d-glycal amides. However, we observed limitations in the reactivity of alkyl and heteroaromatic amines.

A novel diselenide attenuates the carrageenan-induced inflammation by reducing neutrophil infiltration and the resulting tissue damage in mice.

Selenium-containing compounds have emerged as promising treatment for redox-based and inflammatory diseases. This study aimed to investigate the and anti-inflammatory activity of a novel diselenide named as dibenzyl[diselanediyIbis(propane-3-1diyl)] dicarbamate (DD). DD reacted with HOCl ( = 9.

The MetaGens algorithm for metagenomic database lossy compression and subject alignment.

The advancement of genetic sequencing techniques led to the production of a large volume of data. The extraction of genetic material from a sample is one of the early steps of the metagenomic study. With the evolution of the processes, the analysis of the sequenced data allowed the discovery of etiological agents and, by corollary, the diagnosis of infections.

Development of a photoinduced fragmentation ion trap for infrared multiple photon dissociation spectroscopy.

Rationale: Methods for isomer discrimination by mass spectroscopy are of increasing interest. Here we describe the development of a three-dimensional ion trap for infrared multiple photon dissociation (IRMPD) spectroscopy that enables the acquisition of the infrared spectrum of selected ions in the gas phase. This system is suitable for the study of a myriad of chemical systems, including isomer mixtures.

Evaluation of Common Theoretical Methods for Predicting Infrared Multiphotonic Dissociation Vibrational Spectra of Intramolecular Hydrogen-Bonded Ions.

Infrared photodissociation analyses are supported by theoretical calculations that allow a trustworthy interpretation of experimental spectra of gaseous ions. B3LYP calculations are the most prominent method used to model IR spectra, as detailed in our bibliographic survey. However, this and other commonly used methods are known to provide inaccurate energy values and geometries, especially when it comes to long-range interactions, such as intramolecular H-bonds, which show increased anharmonicity.

Project and Preliminary Evaluation of SimHosp, a Tool for Decision Making in Nursing.

Computerized simulators are important tools that support teaching in many areas. The use of these instruments is often described as significant for students and teachers. In this paper, a software piece was developed to aid decision-making in nursing, allowing the simulation of real situations, addressed in the classroom.

Workload: a comparison between the online and observational methods.

Objective: To measure nursing Workload (WL) of nurses who work in the Inpatient Unit, as recommended by the Nursing Interventions Classification (NIC), comparing observational and online methods to propose supervision strategies for academic professionals.

Method: Quantitative, descriptive, observational study performed in a Clinical/Surgical Hospital Unit. 30 direct and indirect activities.

Design of a Hospital Simulation Software for Nursing Education.

This work aims to describe the inception and design for a hospital simulator based on data and cases provided by teachers and other randomized data. The main goal is to develop a computer software tool that simulates a hospital as a tool for nursing student. The system is based on a multi-agent model and multi threaded parallel processing.