Hi, I'm Edwin.I am passionate about bioinformatics, microbiology, and mass spectrometry!

Currently in my final semester of my PhD in chemistry in the Aston laboratory for mass spectrometry. My interests include machine learning, bacteriological profiling by mass spectrometry, and clinical diagnostics. Much of my work involves biotyping bacteria using machine learning methods such as principal component analysis and linear discriminant analysis to reduce the dimensionality of my data and using the principal components and linear discriminant dimensions as variables to train multi-layer perceptrons, k-nearest neighbors models, and random forest classifiers. I also have expertise training convolutional neural networks and working with major data science python libraries such as sci-kit learn and pytorch. Samples of my programming work will be provided upon request.

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Publications and Projects

I have worked on a variety of projects involving bioanalytical mass spectrometry and accelerated droplet reactions There are a few machine learning projects pending which I hope to showcase here soon! If you are interested in the work shown below, feel free to click on the artwork and you will be redirected to the URL of the publication.

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Clinical Microbiology and Bioinformatics

Multiple Reaction Monitoring Profiling (MRM-Profiling) of Lipids To Distinguish Strain-Level Differences in Microbial Resistance in E. coli

MRM profiles are constructed using precursor ion/ neutral loss scans of resistant and non-resistant E. coli. Profiles allows for separation in PCA space.

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Reaction Acceleration and Microdroplet Chemistry

Accelerated microdroplet synthesis of benzimidazoles by nucleophilic addition to protonated carboxylic acids

Charged microdroplet chemistry is used to accelerate and scale up the synthesis of substituted benzimidazoles by nano-electrospray ionization and electrosonic spray ionization, respectively.

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Bioanalysis of Biological Agents of Warfare - Anthrax

Immediate and sensitive detection of sporulated B. subtilis by microwave release and tandem mass spectrometry of dipicolinic acid

DPA and lipids are rapidly extracted from Bacillus subtilis spores using microwave irradation and nESI-MS. Molecules are characterized using MS/MS

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2D MS/MS Monitoring of Lipids

Bacterial Growth Monitored by Two-Dimensional Tandem Mass Spectrometry

Bacterial lipids are analyzed and monitored rapidly using 2D MS/MS. Proof of concept of high-throughput DESI-2D MS/MS is also demonstrated

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Bacillus Spore Profiling

Metabolomic and Lipidomic Profiling of Bacillus using Two-Dimensional Tandem Mass Spectrometry

Metabolites and lipids are used to profile annd differentiate B. subtilis and B. thuringiensis from their vegetative and sporulated states

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Instrumentation & Software Development for HTS

Automated Desorption Electrospray Ionization Two-Dimensional Tandem Mass Spectrometry: Instrumentation & Software for High Throughput Analysis

The reporting of the integration of a fully automated DESI 2D MS/MS platform for HTS data indpendent acquisition of complex mixtures

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2D MS/MS & Machine Learning

Machine Learning Classification of Bacteria using Two-Dimensional Tandem Mass Spectrometry

First report of using multi-dimensional mass spectrometry data captured in a single experiment to classify bacteria from crude bacterial lysates

Skills & Technologies

In addition to my skill set below, I am well trained on mass spectra interpretation and experimentation. I am an expert in clinical microbiology and laboratory diagnostics. Currently working on a ML classifier for classifying pathogenic bacteria using 2D MS/MS and a Mini mass spectrometer.

SQL
R
Node/React
Python
MATLAB
Origin
Data Visualization
API
Machine Learning - Supervised & Unsupervised
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