Results 91 to 100 of about 100,399 (331)
Due to both the requirements of repeated complex organic synthesis and tedious biochemical verification experiments for the screening of new photosensitizers, the development of a satisfactory photosensitizer with excellent photosensitivity and highly ...
Yingcai Hu+5 more
doaj +1 more source
Impact of bioreactor process parameters and yeast biomass on Raman spectra
Abstract In‐line Raman spectroscopy combined with chemometric modeling is a valuable process analytical technology (PAT) providing real‐time quantitative information on cell culture compounds. Considering that compound quantification through chemometric models depends on pre‐processing to maintain consistent changes in intensity at certain wavenumbers,
Maarten Klaverdijk+3 more
wiley +1 more source
Application of chemometrics techniques to solve environmental issues in Malaysia
There has been a growing concern on the rising of environmental issues in Malaysia over the last decade. Many environmental studies conducted in this country began to utilise the chemometrics techniques to overcome the limitation in the environmental ...
Nur Zahidah Shafii+6 more
doaj
t-SMILES: a fragment-based molecular representation framework for de novo ligand design
Effective representation of molecules is a crucial factor affecting the performance of artificial intelligence models. This study introduces a flexible, fragment-based, multiscale molecular representation framework called t-SMILES (tree-based SMILES ...
Juan-Ni Wu+5 more
doaj +1 more source
Abrocitinib stands as a targeted therapy, functioning as an inhibitor of Janus kinase (JAK) 1. This pharmaceutical advancement has been meticulously crafted to address the challenges of moderate to severe atopic dermatitis (AD), a prevalent skin ailment ...
Daniela Bermeo Grajales+3 more
doaj
Essential oils from Eugenia uniflora collected in different coastal phytophysiognomies of Rio de Janeiro showed notable chemodiversity. GC‐MS and GC‐FID analyses revealed nine chemotypes, mainly rich in curzerene and selina‐1,3,7(11)‐trien‐8‐one. ABSTRACT This study aimed to evaluate the yield, color, and chemical composition of Eugenia uniflora ...
Eduardo Barros Duarte Junior+13 more
wiley +1 more source
An Introduction to the 'Special Volume Spectroscopy and Chemometrics in R' [PDF]
This special volume collates ten issues under the rubric "Spectroscopy and Chemometrics in R". In so doing, it provides an overview of the breadth, depth and state of the art of R-based software projects for spectroscopy and chemometrics applications ...
Ivo H. M. van Stokkum+1 more
core +1 more source
Multivariate NIR studies of seed-water interaction in Scots Pine Seeds (Pinus sylvestris L.) [PDF]
This thesis describes seed-water interaction using near infrared (NIR) spectroscopy, multivariate regression models and Scots pine seeds. The presented research covers classification of seed viability, prediction of seed moisture content, selection of ...
Lestander, Torbjörn
core
A Tale of Two Designs: Comparing Design of Experiment Strategies for Reaction Optimization
The application of Design of Experiments (DoE) significantly accelerates the optimization of reaction conditions for previously unreported transformations. DoE achieves this by focusing experimental efforts, enabling efficient exploration of the so‐called experimental space.
Linda Romano+4 more
wiley +1 more source
Joint selection of wavenumber regions for midir and raman spectra and variables in pls regression using genetic algorithms [PDF]
This work fits into the context of cassava processing. Production and consumption of this product is steadily increasing worldwide and especially in tropical regions where, after harvest, cassava starch is extracted according to an empirical process ...
Delarbre, Jean-Louis+6 more
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