Article
Engineering, Environmental
Zhining Shi, Christopher W. K. Chow, Rolando Fabris, Jixue Liu, Emma Sawade, Bo Jin
Summary: This study developed coagulant dose determination models for a drinking water treatment plant using only online raw water quality data combined with chemometrics. Multiple linear regression and partial least squares models showed excellent performances in predicting alum dose, meeting the requirements of treated water quality.
JOURNAL OF WATER PROCESS ENGINEERING
(2022)
Article
Pharmacology & Pharmacy
Rusha Sardhara, Kaushalendra Chaturvedi, Harsh S. Shah, Bhavani Prasad Vinjamuri, Antoine Al-Achi, Kenneth R. Morris, Rahul Haware
Summary: The study used multivariate modeling to address inaccuracy in dissolution testing caused by high absorbance in in-situ UV fiber optics dissolution systems. Linear PLS and PCR models showed accurate predictions, while quadratic models did not. Overall, the linear models demonstrated flexibility and accuracy in predicting dissolution profiles.
EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES
(2021)
Article
Engineering, Chemical
Feng Li, Xiaodong Wang, Manzi Yang, Ming Zhu, Wei Chen, Qiran Li, Delin Sun, Xuejun Bi, Zakhar Maletskyi, Harsha Ratnaweera
Summary: Real-time monitoring of antibiotics in hospital and pharmaceutical wastewater using UV-Vis spectroscopy combined with chemometric methods is considered a promising method. This study explored the relationship between absorption spectra and antibiotics and investigated the influence of optical path length on the limit of detection (LOD). The study also investigated multiple antibiotics in wastewater and selected wavelengths with better predictability for each antibiotic using chemometric methods.
Article
Biochemical Research Methods
Salinthip Jarusintanakorn, Chutima Phechkrajang, Putthiporn Khongkaew, Enrico Mastrobattista, Montarop Yamabhai
Summary: The study demonstrated that UV-Vis combined with PLS models can accurately predict antibody titer, VCD, and cell viability, providing a more efficient monitoring method for small scale cultivation.
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
(2021)
Article
Spectroscopy
Yong Hao, Yuanhang Lu, Xiyan Li
Summary: In this study, a stability monitor model was established using the multivariate statistical process control (MSPC) method, and a mixed modeling approach combining robust regression (Rob-Reg) and partial least squares regression (PLSR) was employed to eliminate the variability influence of sample and instrument states. The results showed that MSPC effectively monitored the consistency of the same batch samples measured at different times or different batches, and the Rob-Reg method outperformed the PLSR method in predicting the different batches of samples.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Geosciences, Multidisciplinary
Masoud Davari, Salah Aldin Karimi, Hossein Ali Bahrami, Sayed Mohammad Taher Hossaini, Soheyla Fahmideh
Summary: The study demonstrated that using spectroscopy for rapid estimation of soil engineering properties showed promising results in different soil samples, with good accuracy for some properties but room for improvement for others.
Article
Agriculture, Dairy & Animal Science
G. Rovere, G. de los Campos, A. L. Lock, L. Worden, A. Vazquez, K. Lee, R. J. Tempelman
Summary: Through analyzing a large number of milk samples, the study found that Bayesian regression methods outperformed partial least squares in predicting milk fatty acids, and identified spectral regions associated with fatty acids as well as the impact of carbon number and unsaturation level on the strength of associations.
JOURNAL OF DAIRY SCIENCE
(2021)
Article
Biochemical Research Methods
Ruoyu Tang, Xinyu He, Ruiqi Wang
Summary: The study presents a general computational method for constructing maps between different cell fates and parametric conditions by systematic perturbations. The method does not require accurate parameter measurements or bifurcations. The maps obtained can help in understanding how systematic perturbations drive cell fate decisions and transitions, providing valuable information for predicting and controlling cell states.
Article
Optics
Zhenyu Li, Hui Zhang, Binh Thi Thanh Nguyen, Shaobo Luo, Patricia Yang Liu, Jun Zou, Yuzhi Shi, Hong Cai, Zhenchuan Yang, Yufeng Jin, Yilong Hao, Yi Zhang, Ai-Qun Liu
Summary: The smart sensor achieves label-free multicomponent chemical analysis with a high prediction accuracy and simple detection strategy using a label-free ring resonator and neural network model, promising great potential for applications in various fields.
PHOTONICS RESEARCH
(2021)
Article
Biochemical Research Methods
Donatella Aiello, Federica Luca, Carlo Siciliano, Paola Frati, Vittorio Fineschi, Rocco Rongo, Anna Napoli
Summary: An analytical strategy was developed for an untargeted metabolomic study on vitreous humor using matrix-assisted laser desorption mass spectrometry, aiming to identify statistically significant parameters related to death time estimation. PCR and PLSR were used to assess PMI, with validation R-2 of about 0.95 and a prediction error of 6 hours.
JOURNAL OF PROTEOME RESEARCH
(2021)
Article
Spectroscopy
Bo Yu, Changxiang Yan, Jing Yuan, Ning Ding, Zhiwei Chen
Summary: Visible and near-infrared (Vis-NIR) spectroscopy technique has been recognized as a cost-effective, rapid, non-destructive alternative to traditional soil physicochemical analysis to estimate soil properties. This study proposes a method to select characteristic wavelengths with optimal spectral resolution to improve the prediction performance. By using a 'two-step' wavelength selection method and the artificial bee colony (ABC) algorithm, a better prediction accuracy for soil properties was obtained compared to using full-spectra models.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Soil Science
Najmeh Rasooli, Mohammad Hady Farpoor, Majid Mahmoodabadi, Isa Esfandiarpour-Boroujeni
Summary: This research aimed to ascertain the performance of visible and near-infrared spectroscopy (VisNIR) in detecting soil variations related to pedogenetic processes and pedoenvironmental conditions and to show the perspective of the most important variables changing spectral behavior in Lut Watershed.
SOIL & TILLAGE RESEARCH
(2023)
Article
Engineering, Chemical
S. Joe Qin, Yiren Liu, Shiqin Tang
Summary: In this article, the relationship between partial least squares (PLS) and other regularized regression algorithms such as Lasso and ridge regression is explored. A steepest descent alternative to the PLS algorithm is also considered. The emphasis is placed on PLS latent variable analysis and its connections to conjugate gradient, Krylov space, and matrix pseudo-inverse using existing literature. Comparison of PLS with Lasso and ridge regression is conducted in terms of different resolutions along the regularization paths, providing insights into why PLS may not always outperform the other algorithms. A steepest descent PLS is proposed as a regularized regression alternative and evaluated against other algorithms through simulations and an industrial case study.
Article
Automation & Control Systems
Kristian Hovde Liland, Ulf Geir Indahl, Joakim Skogholt, Puneet Mishra
Summary: The article discusses using multilinear partial least squares for analyzing multiway datasets, which allows for building parsimonious models handling various continuous and categorical responses. An advantage in computational speed is achieved by deflating responses and orthogonalising scores.
JOURNAL OF CHEMOMETRICS
(2022)
Article
Chemistry, Applied
Suying Li, Tsz-Tsun Ng, Zhong-Ping Yao
Summary: This study developed a new method using MALDI-MS and PLS-R to quantitate triacylglycerols in blended oils, allowing simultaneous quantitation of multiple compositions with good limits of detection. The new method enables direct analysis of blended oils, rapid analysis of samples, and accurate quantitation of low-abundance oil compositions and blended oils with similar fatty acid contents, compared to conventional methods.
Article
Engineering, Civil
Nicolas Caradot, Mathias Riechel, Pascale Rouault, Antoine Caradot, Nic Lengemann, Elke Eckert, Alexander Ringe, Francois Clemens, Frederic Cherqui
STRUCTURE AND INFRASTRUCTURE ENGINEERING
(2020)
Article
Engineering, Civil
Nathalie Hernandez, Nicolas Caradot, Hauke Sonnenberg, Pascale Rouault, Andres Torres
Summary: By optimizing hyper-parameters, SVM models in sewer asset management have higher predictive accuracy, and the differential evolution method can be used to enhance model performance.
STRUCTURE AND INFRASTRUCTURE ENGINEERING
(2021)
Review
Environmental Sciences
Alice Botturi, E. Gozde Ozbayram, Katharina Tondera, Nathalie Gilbert, Pascale Rouault, Nicolas Caradot, Oriol Gutierrez, Saba Daneshgar, Nicola Frison, Cagri Akyol, Alessia Foglia, Anna Laura Eusebi, Francesco Fatone
Summary: CSOs are a major environmental concern impacting surface waterbodies, with an increasing focus on control and treatment measures. Recent studies have proposed innovative guidelines for managing CSOs through treatment and control practices.
CRITICAL REVIEWS IN ENVIRONMENTAL SCIENCE AND TECHNOLOGY
(2021)
Article
Engineering, Environmental
Julian Guzman-Fierro, Sharel Charry, Ivan Gonzalez, Felipe Pena-Heredia, Nathalie Hernandez, Andrea Luna-Acosta, Andres Torres
WATER SCIENCE AND TECHNOLOGY
(2020)
Article
Environmental Sciences
F. Pena-Heredia, S. Sandoval, J. A. Escobar-Vargas, A. Torres
Summary: This paper presents a methodology to assess the influence of the correlation-covariance structure of measurement errors in online monitoring over the propagation of uncertainties. The study analyzed the effect of auto-correlated and heteroskedastic errors on the estimated probability density function of different environmental indicators. Results showed that the temporal delimitation of hydrographs/pollutographs and the intensity of the autocorrelation have the strongest influence in the propagation of measurement errors.
ENVIRONMENTAL MONITORING AND ASSESSMENT
(2021)
Article
Management
Nathalie Hernandez, Nicolas Caradot, Hauke Sonnenberg, Pascale Rouault, Andres Torres
Summary: This paper explores and compares different deterioration models based on statistical and machine learning approaches, considering two scenarios involving only age or age with other sewer characteristics. The results show that logistic regression models perform better for network management objectives under Scenario 1, while random forest models are more successful in predicting critical conditions at the sewer level under Scenario 2.
JOURNAL OF MODELLING IN MANAGEMENT
(2021)
Article
Water Resources
Carlos Pena-Guzman, Jeimmy Cardenas, Amelia Perez, Andres Torres, Karen Mora-Cabrera
Summary: The study investigated the physical and chemical characteristics of sediment in pluvial sanitation systems, finding that it can be utilized to manufacture cement and pozzolans, with the need to add calcium carbonate to increase lime content.
JOURNAL OF APPLIED WATER ENGINEERING AND RESEARCH
(2021)
Review
Water Resources
Franz Tscheikner-Gratl, Nicolas Caradot, Frederic Cherqui, Joao P. Leitao, Mehdi Ahmadi, Jeroen G. Langeveld, Yves Le Gat, Lisa Scholten, Bardia Roghani, Juan Pablo Rodriguez, Mathieu Lepot, Bram Stegeman, Anna Heinrichsen, Ingo Kropp, Karsten Kerres, Maria do Ceu Almeida, Peter M. Bach, Matthew Moy de Vitry, Alfeu Sa Marques, Nuno Eduardo Simoes, Pascale Rouault, Nathalie Hernandez, Andres Torres, Caty Werey, Benedicte Rulleau, Francois Clemens
URBAN WATER JOURNAL
(2019)
Article
Urban Studies
Andres Torres, Sandra Galarza-Molina, Luis Fernando Molina-Prieto
CUADERNOS DE VIVIENDA Y URBANISMO
(2019)
Proceedings Paper
Engineering, Environmental
Nathalie Hernandez, Nicolas Caradot, Hauke Sonnenberg, Pascale Rouault, Andres Torres
NEW TRENDS IN URBAN DRAINAGE MODELLING, UDM 2018
(2019)
Article
Water Resources
Nathalie Hernandez, Nicolas Caradot, Hauke Sonnenberg, Pascale Rouault, Andres Torres
WATER PRACTICE AND TECHNOLOGY
(2018)
Article
Engineering, Multidisciplinary
Maria A. Pimiento, David S. Rivera, Jaime A. Lara-Borrero, Andres Torres
INGENIERIA Y COMPETITIVIDAD
(2018)
