Decompose Thermo Gravimetrical Analysis (TGA) curves into simpler logistic curves representing mass-change events with a chemical interpretation. All of the analysis is performed with the TensorFlow library for the creation of a NN-analogous model and optimization.

A Shiny R project to ease the statistical validation of analytical methods

Evaluation of potentiometric acid-base titrations by non-linear curve fitting

Topino: A graphical tool for assessment of molecular-stream separations

Error Estimation of Four main Approximation Equations with Mathematica

A capillary electrophoresis data extraction utility for Karat32 data files

This case serves as an illustration how data science can help analytical chemistry, in-field analysis and ecology. An additional point to be stressed is the reality of the subject case. The best practice for data scientists always consists in facing difficulties present in real cases – data cleaning, preparation, analysis of the data logic, stra…

Supplementary material for the manuscript: Potential source areas for atmospheric lead reaching Ny-Ålesund from 2010 to 2018. Authors: Andrea Bazzano, Stefano Bertinetti, Francisco Ardini, David Cappelletti and Marco Grotti.

Isotscope is a IUPAC name aware isotopic pattern calculator.

A shiny app for testing equality of mean and variance in one or groups of normal data.

https://bcdd.shinyapps.io/CCWeights/

Personal Website

Perform titration curves of any acid-base pair.

Quantitative analysis of chemicals

Python code to identify and calculate decomposition of materials using Raman spectroscopy

Targeted pipeline to quantify metabolomics datasets produced by QExactive and Triple Quadrupole Mass Specs.

Program to read output of a Beckman DU 520 through serial connection

Software for the optimization of stability constants from potentiometric titration data.

Direct Analysis in Real Time (DART) Mass Spectrometry Data Analysis