Published in Clinical Spectroscopy
Vibrational spectroscopic techniques, both infrared absorption and Raman scattering, are high precision, label free analytical techniques which have found applications in fields as diverse as analytical chemistry, pharmacology, forensics and archeometrics and, in recent times, have attracted increasing attention for biomedical applications. As anal...
Published in Emergent Materials
The deadly novel coronavirus SARS-CoV-2 is responsible for COVID-19, which was first recognized in Wuhan, China, in December 2019. Rapid identification at primary stage of the novel coronavirus, SARS-CoV-2, is important to restrict it and prevent the pandemic. Real-time RT-PCR assays are the best diagnostic tests presently available for SARS-CoV-2 ...
The distributional homogeneity of chemicals is a key parameter of solid pharmaceutical formulations. Indeed, it may affect the efficacy of the drug and consequently its safety. Chemical imaging offers a unique insight enabling the visualisation of the different constituents of a pharmaceutical tablet. It allows identifying ingredients poorly distri...
The main goal of the studies presented in this dissertation is to continue the endeavor in improving of energy-probing capability of STM for single molecule spectroscopy. Here, we extend energy spectrum into THz region for STM vibrational spectroscopy by combining an 8-Kelvin scanning tunneling STM with a continuous wave THz source. Development of ...
Published in Chemosphere
Microplastics are contaminants of emerging concern - not only environmental, but also to human health. Characterizing them is of fundamental importance to evaluate their potential impacts and target specific actions aiming to reduce potential harming effects. This study extends the exploration of machine learning classification algorithms applied t...
Published in Journal of Mass Spectrometry and Advances in the Clinical Lab
Infrared multiple photon dissociation (IRMPD) spectroscopy is a powerful tool used to probe the vibrational modes–and, by extension, the structure—of an ion within an ion trap mass spectrometer. Compared to traditional FTIR spectroscopy, IRMPD spectroscopy has advantages including its sensitivity and its relative ability to handle complex mixtures....
Published in Journal of Molecular Modeling
In this work, we investigated the formation of protonated hydrogen cyanide HCNH+ and methylene amine cation CH2NH2+\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$_{2}\t...
Published in Biological trace element research
Despite the important role of iron in cellular homeostasis, iron overload (IO) is associated with systemic and tissue deposits which damage several organs. In order to reduce the impact caused by IO, invasive diagnosis exams (e.g., biopsies) and minimally invasive methods were developed including computed tomography and magnetic resonance imaging. ...
Contains the data (spectra and Fermi splittings) required to produce the figures in https://doi.org/10.1063/5.0056829. Also includes a Python script that applies the intensity correction factors (Eq. (13) in the manuscript) to the appropriate spectra, and Python scripts to generate each of the figures.
Published in Fashion and Textiles
Textile waste presents a major burden on the environment, contributing to climate change and chemical pollution as toxic dyes and finishing chemicals enter the environment through landfill leachate. Moreover, the majority of textile waste reaching landfills is discarded clothing, which could be reused or recycled. Here we investigate environmentall...
