Essentials of aquaphotomics and its chemometrics approaches

R Tsenkova, J Munćan, B Pollner, Z Kovacs - Frontiers in chemistry, 2018 - frontiersin.org
Aquaphotomics is a novel scientific discipline involving the study of water and aqueous
systems. Using light-water interaction, it aims to extract information about the structure of …

[HTML][HTML] Crystallization and phase selection of zeolitic imidazolate frameworks in aqueous cosolvent systems: The role and impacts of organic solvents

A Lewis, FS Butt, X Wei, NA Mazlan, Z Chen… - Results in …, 2023 - Elsevier
Abstract Zeolite Imidazolate Frameworks (ZIFs) can be used in a wide range of applications,
such as water treatment, molecular sieving, gas adsorption, drug delivery, and catalysis …

Chemometric algorithms for analyzing high dimensional temperature dependent near infrared spectra

X Cui, J Zhang, W Cai, X Shao - Chemometrics and Intelligent Laboratory …, 2017 - Elsevier
High dimensional data analysis has gained widespread acceptance with the rapid
development of analytical instruments and experimental techniques. Benefiting from the …

Mutual factor analysis for quantitative analysis by temperature dependent near infrared spectra

X Shao, X Cui, X Yu, W Cai - Talanta, 2018 - Elsevier
Temperature dependent near infrared (NIR) spectroscopy has been developed for analyzing
multi–component mixtures and understanding the molecular interactions in solutions. In this …

Microstructures of negative and positive azeotropes

JJ Shephard, SK Callear, S Imberti… - Physical Chemistry …, 2016 - pubs.rsc.org
Azeotropes famously impose fundamental restrictions on distillation processes, yet their
special thermodynamic properties make them highly desirable for a diverse range of …

Understanding the molecular interaction in solutions by chemometric resolution of near− infrared spectra

X Shao, X Cui, Y Liu, Z Xia, W Cai - ChemistrySelect, 2017 - Wiley Online Library
Interactions in aqueous solutions have been extensively studied using spectroscopic
techniques. Due to the complexity of the spectra, however, it is difficult to obtain the spectral …

Predicting miscibility of binary liquids from small cluster QCE calculations

J Ingenmey, M von Domaros, B Kirchner - The Journal of Chemical …, 2017 - pubs.aip.org
The quantum cluster equilibrium method is applied to model binary systems of molecular
solvents. We minimize the computational effort as well as the experimental input and present …

Rapid 1 H NMR determination of hydrogen peroxide in cosmetic products and chemical reagents

YB Monakhova, BWK Diehl - Analytical Methods, 2016 - pubs.rsc.org
A methodology utilizing 1H NMR spectroscopy has been developed to measure the
concentration of hydrogen peroxide in hair sprays, nail treatments, hydrogen peroxide …

Self-diffusion and heteroassociation in an acetone–chloroform mixture at 298 K

VA Golubev, DL Gurina, RS Kumeev - Russian Journal of Physical …, 2018 - Springer
The self-diffusion coefficients of acetone and chloroform in a binary acetone–chloroform
mixture at 298 K are determined via pulsed field gradient NMR spectroscopy. It is estimated …

A Bilayer SnO2/MoS2-Coated Evanescent Wave Fiber Optic Sensor for Acetone Detection—An Experimental Study

A Prasanth, S Getachew, T Shewa, M Velumani… - Biosensors, 2022 - mdpi.com
The need for sensors that measure the acetone content of exhaled breath for diabetes
severity has recently increased. Clinical researchers have reported less than 0.8 ppm …