AIMC Topic: Spectrophotometry, Ultraviolet

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Ppb-Level Ammonia Sensor for Exhaled Breath Diagnosis Based on UV-DOAS Combined with Spectral Reconstruction Fitting Neural Network.

ACS sensors
Ammonia (NH) in exhaled breath (EB) has been a biomarker for kidney function, and accurate measurement of NH is essential for early screening of kidney disease. In this work, we report an optical sensor that combines ultraviolet differential optical ...

Prediction of Vacuum Ultraviolet/Ultraviolet Gas-Phase Absorption Spectra Using Molecular Feature Representations and Machine Learning.

Journal of chemical information and modeling
Ultraviolet (UV) absorption spectroscopy is a widely used tool for quantitative and qualitative analyses of chemical compounds. In the gas phase, vacuum UV (VUV) and UV absorption spectra are specific and diagnostic for many small molecules. An accur...

Spectral fusion-based machine learning classifiers for discriminating membrane breakage in multiple scenarios.

Water research
Membrane breakage can lead to filtration failure, which allows harmful substances to enter the effluent, posing potential hazards to human health and the environment. This study is an innovative combination of fluorescence and ultraviolet-visible (UV...

UV imaging for the rapid at-line content determination of different colourless APIs in their tablets with artificial neural networks.

International journal of pharmaceutics
This paper presents a novel high-resolution and rapid (50 ms) UV imaging system, which was used for at-line, non-destructive API content determination of tablets. For the experiments, amlodipine and valsartan were selected as two colourless APIs with...

UV-Visible Absorption Spectra of Solvated Molecules by Quantum Chemical Machine Learning.

Journal of chemical theory and computation
Predicting UV-visible absorption spectra is essential to understand photochemical processes and design energy materials. Quantum chemical methods can deliver accurate calculations of UV-visible absorption spectra, but they are computationally expensi...

Comparison of UV- and Raman-based monitoring of the Protein A load phase and evaluation of data fusion by PLS models and CNNs.

Biotechnology and bioengineering
A promising application of Process Analytical Technology to the downstream process of monoclonal antibodies (mAbs) is the monitoring of the Protein A load phase as its control promises economic benefits. Different spectroscopic techniques have been e...

Polypyrrole-Based Nanorobots Powered by Light and Glucose for Pollutant Degradation in Water.

ACS applied materials & interfaces
Novel photoactive and enzymatically active nanomotors were developed for efficient organic pollutant degradation. The developed preparation route is simple and scalable. Light-absorbing polypyrrole nanoparticles were equipped with a bi-enzyme [glucos...

Classification of Greek Olive Oils from Different Regions by Machine Learning-Aided Laser-Induced Breakdown Spectroscopy and Absorption Spectroscopy.

Molecules (Basel, Switzerland)
In the present work, the emission and the absorption spectra of numerous Greek olive oil samples and mixtures of them, obtained by two spectroscopic techniques, namely Laser-Induced Breakdown Spectroscopy (LIBS) and Absorption Spectroscopy, and aided...

A high-throughput and machine learning resistance monitoring system to determine the point of resistance for Escherichia coli with tetracycline: Combining UV-visible spectrophotometry with principal component analysis.

Biotechnology and bioengineering
UV-visible spectroscopy (UV-Vis) is routinely used in microbiology as a tool to check the optical density (OD) pertaining to the growth stages of microbial cultures at the single wavelength of 600 nm, better known as the OD . Typically, modern UV-Vis...

Weighted multiscale support vector regression for fast quantification of vegetable oils in edible blend oil by ultraviolet-visible spectroscopy.

Food chemistry
Weighted multiscale support vector regression combined with ultraviolet-visible (UV-Vis) spectra for quantitative analysis of edible blend oil is proposed. In the approach, UV-Vis spectra of the training set are decomposed into a certain number of in...