Soft sensors work as predictive frameworks encapsulating a set of easy-to-collect input data and a machine learning method (ML) to predict highly related variables that are difficult to measure. The machine learning method could provide a prediction of complex unknown relations between the input data and desired output parameters. Recently, soft sensors have been applicable in predicting the prices and vintages of New Zealand Pinot noir wines based on chemical parameters. However, the previous sample size did not adequately represent the diversity of provenances, vintages, and price points across commercially available New Zealand Pinot noir wines. Consequently, a representative sample of 39 commercially available New Zealand Pinot noir wines from diverse provenances, vintages, and price points were selected. Literature has shown that wine phenolic compounds strongly correlated with wine provenances, vintages and price points, which could be used as input data for developing soft sensors. Due to the significance of these phenolic compounds, chemical parameters, including phenolic compounds and pH, were collected using UV-Vis visible spectrophotometry and a pH meter. The soft sensor utilising Naive Bayes (belongs to ML) was designed to predict Pinot noir wines' provenances (regions of origin) based on six chemical parameters with the prediction accuracy of over 75%. Soft sensors based on decision trees (within ML) could predict Pinot noir wines' vintages and price points with prediction accuracies of over 75% based on six chemical parameters. These predictions were based on the same collected six chemical parameters as aforementioned.
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http://dx.doi.org/10.3390/foods12020323 | DOI Listing |
J Comput Chem
January 2025
RIKEN Center for Advanced Intelligence Project, Tokyo, Japan.
QCforever is a wrapper designed to automatically and simultaneously calculate various physical quantities using quantum chemical (QC) calculation software for blackbox optimization in chemical space. We have updated it to QCforever2 to search the conformation and optimize density functional parameters for a more accurate and reliable evaluation of an input molecule. In blackbox optimization, QCforever2 can work as compactly arranged surrogate models for costly chemical experiments.
View Article and Find Full Text PDFSci Rep
January 2025
Institute for Plasma Research, HBNI, Bhat, Gandhinagar, 382428, India.
The stability of kinetic-level convection cells (wherein the magnitude of macroscopic and microscopic velocities are of same order) is studied in a two-dimensional Yukawa liquid under the effect of microscopic velocity perturbations. Our numerical experiments demonstrate that for a given system aspect ratio β viz., the ratio of system length [Formula: see text] to its height [Formula: see text] and number of convective rolls initiated [Formula: see text], the fate of the convective cells is decided by [Formula: see text].
View Article and Find Full Text PDFSci Rep
January 2025
Key Laboratory of High-efficiency and Clean Mechanical Manufacture (Ministry of Education), National Demonstration Center for Experimental Mechanical Engineering Education (Shandong University), School of Mechanical Engineering, Shandong University, Jinan, 250061, People's Republic of China.
The supercritical antisolvent (SAS) method can effectively improve the bioavailability of poorly water-soluble drugs. However, the current supercritical equipment and processes were not fully developed, making industrialization difficult to achieve. Therefore, an externally adjustable annular gap nozzle and its supporting equipment were designed.
View Article and Find Full Text PDFEnviron Res
January 2025
Université de Caen Normandie, Alliance Sorbonne Université, MNHN, UA, CNRS, IRD, Biologie des Organismes et Ecosystèmes Aquatiques (BOREA), Esplanade de la Paix, 14032 Caen, France; MERSEA UR 7482, Université de Caen Normandie, Esplanade de la Paix, 14032 Caen, France.
Three French harbours connected to different water masses of the English Channel were chosen to investigate the hydrological parameters, chemical contaminants, and biofouling characteristics for 15 months. The biofouling development on two kinds of coatings, an anticorrosion coating (Epoxy) and a foul-release coating (FRC), was studied to compare micro- and macro- biofouling in harbour environments. Biofouling was investigated by considering wet biofouling biomass and composition, microalgae concentration, and bacterial abundance.
View Article and Find Full Text PDFInt J Biol Macromol
January 2025
Department of Food Science, University of Arkansas, Fayetteville, AR 72704, USA; Department of Biological and Agricultural Engineering, University of Arkansas, Fayetteville, AR 72701, USA. Electronic address:
The objective of this study was to form sorghum protein gels and explore their application in 3D food printing. Sorghum proteins were used to prepare gels with concentrations of 15 %, 20 %, 25 %, 30 %, and 35 % (w/w) in 70 % ethanol. The gels were evaluated for their rheological and textural properties and utilized as bioinks for 3D printing.
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