A Computer Vision Approach toward Verifying CFD Models of Stirred Tank Reactors.

Mixing is one of the most important nonchemical considerations in the design of scalable processes. While noninvasive imaging approaches to deliver a quantifiable understanding of mixing dynamics are well-known, the use of imaging to verify computational fluid dynamics (CFD) models remains in its infancy. Herein, we use colorimetric reactions and our kinetic imaging software, , to explore (i) the correlation of imaging kinetics with pH probe measurements, (ii) feed point sensitivity for Villermaux-Dushman-type competing parallel reactions, and (iii) the use of experimental imaging kinetic data to qualitatively assess CFD models.

The Repurposing of Cellular Proteins during Enterovirus A71 Infection.

Viruses pose a great threat to people's lives. Enterovirus A71 (EV-A71) infects children and infants all over the world with no FDA-approved treatment to date. Understanding the basic mechanisms of viral processes aids in selecting more efficient drug targets and designing more effective antivirals to thwart this virus.

Computer vision as a new paradigm for monitoring of solution and solid phase peptide synthesis.

We report a strategy for the camera-enabled non-contact colourimetric reaction monitoring and optimisation of amide bond formation, mediated by coupling reagents. For amide bond formation in solution phase, investigation of reactions mediated by HATU, PyAOP, and DIC/Oxyma evidenced correlations between colour parameters extracted from video data and conversion to amide product measured by off-line HPLC analysis of concentration. These correlations, supported by mutual information analysis, were further investigated using video recordings of solid phase peptide synthesis (SPPS), co-analysed by off-line HPLC to track remaining unreacted substrate in solution.

Characterization of tautomeric forms of anti-cancer drug gemcitabine and their interconversion upon mechano-chemical treatment, using ATR-FTIR spectroscopy and complementary methods.

Gemcitabine is a widely used anti-cancer drug of pyrimidine structure, which can exist as a free base molecular form in crystals. Tautomers are structural isomers of molecules, which interconvert via proton transfer. Mechano-chemistry studies reactions of solids under mechanical impact.

Computer Vision for Kinetic Analysis of Lab- and Process-Scale Mixing Phenomena.

A software platform for the computer vision-enabled analysis of mixing phenomena of relevance to process scale-up is described. By bringing new and known time-resolved mixing metrics under one platform, hitherto unavailable comparisons of pixel-derived mixing metrics are exemplified across non-chemical and chemical processes. The analytical methods described are applicable using any camera and across an appreciable range of reactor scales, from development through to process scale-up.

Hygroscopic metal-organic framework MIL-160(Al): In-situ time-dependent ATR-FTIR and gravimetric study of mechanism and kinetics of water vapor sorption.

Metal-organic frameworks (MOFs) are advanced highly porous coordination polymers of high interest to separations, environmental remediation, catalysis, and biomedicine. While many MOFs are unstable in water and aqueous solutions, aluminum MOFs (Al-MOFs) offer an unprecedented stability. First, we synthesize unusual highly hygroscopic Al-MOF MIL-160(Al), purify it and assign FTIR peaks to specific groups as potential water binding sites.