A5102862960- Spectroscopy and Quantum Chemical Studies
- Gene expression and cancer classification
- Electrochemical Analysis and Applications
- Molecular Junctions and Nanostructures
- Gene Regulatory Network Analysis
- Radiomics and Machine Learning in Medical Imaging
- COVID-19 diagnosis using AI
- Bioinformatics and Genomic Networks
- Computational Drug Discovery Methods
- Advanced biosensing and bioanalysis techniques
- Machine Learning in Healthcare
- Synthetic Organic Chemistry Methods
- Advanced Bandit Algorithms Research
- Machine Learning in Materials Science
- Advanced Polymer Synthesis and Characterization
- AI in cancer detection
- Machine Learning and Algorithms
- Chemical Synthesis and Analysis
- thermodynamics and calorimetric analyses
- Metal-Organic Frameworks: Synthesis and Applications
- biodegradable polymer synthesis and properties
- Analytical Chemistry and Sensors
- Clay minerals and soil interactions
- Iron oxide chemistry and applications
- Receptor Mechanisms and Signaling
Mila - Quebec Artificial Intelligence Institute
2023
Elevance Renewable Sciences (United States)
2019
Northwestern University
2003-2010
International Institute for Nanotechnology
2006
University of Delaware
2003
The design and synthesis of a novel, supramolecular allosteric catalyst system, assembled via the weak-link approach, is presented. contains two structural Rh(I) centers in thioether- phosphine-rich hemilabile pockets, functional Cr(III) bound within salen-based moieties. catalytic properties are compared to those Cr(III)-salen monomeric analogue context asymmetric ring opening cyclohexene oxide by TMSN3. Allosteric control afforded reactions that occur at distal sites which open macrocyclic...
Successful and selective inhibition of the cytosolic protein-protein interaction (PPI) between nuclear factor erythroid 2-related 2 (Nrf2) Kelch-like ECH-associating protein 1 (Keap1) can enhance antioxidant response, with potential for a therapeutic effect in range settings including neurodegenerative disease (ND). Small molecule inhibitors have been developed, yet many off-target effects, or are otherwise limited by poor cellular permeability. Peptide-based strategies also attempted to...
We describe the design, synthesis, and antitumor activity of an 18 carbon α,ω-dicarboxylic acid monoconjugated via ester linkage to paclitaxel (PTX). This 1,18-octadecanedioic acid-PTX (ODDA-PTX) prodrug readily forms a noncovalent complex with human serum albumin (HSA). Preservation terminal carboxylic moiety on ODDA-PTX enables binding HSA in same manner as native long-chain fatty acids (LCFAs), within hydrophobic pockets, maintaining favorable electrostatic contacts between ω-carboxylate...
Second-harmonic studies were carried out to determine the interfacial acidity, potential, and energy density of an acid-functionalized silica/water interface between pH 2 12. The potential changes over 3 orders magnitude, from 10-2 mV several tens millivolts, by 7 less than 10-7 mJ/m2 millijoules per square meter. methodology presented in this study provides quantitative thermodynamic information necessary for understanding predicting how solvated species interact with functionalized organic...
We present a rational approach for assembling diverse bioactive agents, such as DNA, proteins, and drug molecules, into core−shell multifunctional polymeric nanoparticles (PNPs) that can be internalized in human breast cancer cells. Using ring-opening metathesis polymerization (ROMP), block copolymers containing small-molecule segments (>50% w/w) tosylated hexaethylene glycol were prepared assembled PNPs allowed the surface conjugation of single-stranded DNA sequences and/or tumor-targeting...
The burgeoning field of targeted protein degradation (TPD) has opened new avenues for modulating the activity previously undruggable proteins interest. To date, TPD been dominated by small molecules containing separate linked domains engagement and recruitment cellular machinery. process identifying active compounds required tedious optimization successful largely against a limited set targets with well-defined, suitable docking pockets. Here we present polymer chemistry approach termed...
Broadband sum frequency generation has been used to characterize glass surfaces functionalized with siloxanes containing terminal carboxylic acid and ester functional groups. ω-Ester silanes can be in the preparations of ester-functionalized surfaces, which yield acid-functionalized via hydrolysis. This general methodology environmental, biochemical, or materials science surface chemistry generate tunable physical chemical properties. Definitive characterization these...
A series of monodisperse amphiphilic diblock copolymers containing a high-density covalently linked indomethacin as the hydrophobic block and pendant hexaethylene glycol monomethyl ether hydrophilic have been synthesized from ring-opening metathesis polymerization (ROMP) using Cl2(PCy3)2RuCHPh. Dynamic light scattering (DLS), transmission electron microscopy (TEM), 1H NMR spectroscopy used to investigate directed-assembly these polynorbornene-based into polymeric nanoparticles in aqueous...
High-density doxorubicin-conjugated polymeric nanoparticles are prepared via ring-opening metathesis polymerization and sustained release of nearly 50% the anticancer agent is observed after 24 h in mildly acidic aqueous solution.
In order to bridge the gap between Deep Learning researchers and medical professionals we develop a very accessible free prototype system which can be used by understand reality of tools for chest X-ray diagnostics. The is designed second opinion where user process an image confirm or aid in their diagnosis. Code network weights are delivered via URL web browser (including cell phones) but patient data remains on users machine all processing occurs locally. This paper discusses three main...
The synthesis, characterization, and oxidation reaction of a tropospherically relevant terpene bound to glass surface are reported. Vibrational broadband sum frequency generation (SFG) is used characterize the various terpene-modified surfaces track their interaction with ozone. SFG spectra indicate that, although orientations surface-bound terpenes depend on linker strategies employed, CC double bond accessible gas-phase ozone regardless strategy applied. Exposure terpene-functionalized ppm...
TorchXRayVision is an open source software library for working with chest X-ray datasets and deep learning models. It provides a common interface pre-processing chain wide set of publicly available datasets. In addition, number classification representation models different architectures, trained on data combinations, are through the to serve as baselines or feature extractors.
Epistemic Uncertainty is a measure of the lack knowledge learner which diminishes with more evidence. While existing work focuses on using variance Bayesian posterior due to parameter uncertainty as epistemic uncertainty, we argue that this does not capture part induced by model misspecification. We discuss how excess risk, gap between generalization error predictor and Bayes predictor, sound captures effect thus propose principled framework for directly estimating risk learning secondary...
For large libraries of small molecules, exhaustive combinatorial chemical screens become infeasible to perform when considering a range disease models, assay conditions, and dose ranges. Deep learning models have achieved state-of-the-art results in silico for the prediction synergy scores. However, databases drug combinations are biased toward synergistic agents do not generalize out distribution. During 5 rounds experimentation, we employ sequential model optimization with deep select...
The structure of self-assembled monolayers (SAMs) undecylenic acid methyl ester (SAM-1) and undec-10-enoic 2-bromo-ethyl (SAM-2) grown on hydrogen-passivated Si(111) were studied by X-ray reflectivity (XRR), standing waves (XSW), fluorescence (XRF), atomic force microscopy, photoelectron spectroscopy (XPS). two different SAMs immersion H−Si(111) substrates into the concentrated esters. UV irradiation during was used to create Si dangling bond sites that act as initiators surface free-radical...
Resonantly enhanced surface second harmonic generation (SHG) measurements carried out at pH 7 and room temperature were performed to study how surface-bound carboxylic acid methyl ester functional groups control the interaction of chromate ions with fused silica/water interfaces. These chosen because their high abundance in humic fulvic acids related biopolymers commonly found soils. They anchored silica using organosilane chemistry avoid competing complexation processes aqueous solution as...
A new type of polymer nanoparticle (PNP) containing a high density covalently linked doxorubicin, attached via non-cleavable amine linkage (amine-linked Dox-PNP) was prepared. Together with previously reported cleavable carbamate-linked Dox-PNP, this amine-linked Dox-PNP subsequently evaluated against free doxorubicin for its cytotoxicity and inhibitory effects on SKNSH wild-type SKrDOX6 doxorubicin-resistant human neuroblastoma cell lines. Analogous cholesterol-containing PNPs (Chol-PNPs)...
Organic adlayers can significantly alter the interactions of environmentally relevant surfaces with their surroundings. We present first second harmonic and broadband sum frequency generation (SHG BBSFG) study that illustrates how organic surface functional groups control mobility priority pollutant chromium(VI) in soil: Cr(VI) binds to ester- acid-functionalized but not alkane-functionalized surfaces. The implications respect toxic metal transport across at liquid-solid interfaces are...
Novel dithiazepane-functionalized ferrocenyl-phenylethynyl oligomers 1 and 2 have been synthesized. Self-assembled monolayers (SAMs) of these ferrocene derivatives studied by X-ray photoelectron spectroscopy, ellipsometry, cyclic voltammetry. It has shown XPS that the dithiazepane-anchored molecules on gold electrodes contain gold-thiolate species. Cyclic voltammetry SAMs were characteristic stable electroactive even for single-component 2, with more ideal responses recorded two-component...
A series of ferrocene-based electroactive molecules (EAMs) containing maleimide and disulfide groups in different asymmetric branched architectures were designed synthesized. Stable monolayers each EAM on gold electrodes confirmed by cyclic voltammetry. Importantly, these EAMs expand the repertoire monolayer building blocks amenable to modular biofunctionalization for applications electrochemical biosensor fabrication.