Article
Automation & Control Systems
Matteo Stocchero, Martino De Nardi, Bruno Scarpa
Summary: In this study, an alternative formulation of PLS2 based on gradient descent method is proposed and a new algorithm called gradient descent PLS2 is introduced to solve the least squares problem. The algorithm uses well-defined elements of linear algebra and is developed within the field of non-linear programming, showing equivalent performance to the standard eigenvalue PLS2 algorithm.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
(2022)
Article
Automation & Control Systems
Huiwen Yu, Dillen Augustijn, Rasmus Bro
Summary: This paper proposes novel extrapolation-based PARAFAC2 algorithms which achieve faster convergence speeds and outperform existing methods. A comprehensive investigation and comparison of various extrapolation algorithms is conducted using simulated and real data.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
(2021)
Article
Chemistry, Analytical
An-Qi He, Zhen-Qiang Yu, Jun Song, Li-Min Yang, Yi-Zhuang Xu, Isao Noda, Yukihiro Ozaki
Summary: A novel spectral analysis approach is proposed to retrieve the spectrum of a supramolecular complex. The approach involves constructing a two-dimensional asynchronous spectrum and using a genetic algorithm to obtain a heuristic spectrum of the complex. The results suggest that this approach provides a new insight into studying various intermolecular interactions.
ANALYTICAL CHEMISTRY
(2022)
Article
Cell Biology
David Perez-Guaita, Guillermo Quintas, Zeineb Farhane, Roma Tauler, Hugh J. Byrne
Summary: Raman microspectroscopy is a label-free technique that is well-suited for studying drug uptake and cellular responses. This paper proposes the integration of kinetic equations into the modeling process to provide a more comprehensive understanding of the system. The results show that the choice of equations and the temporal resolution of the data are crucial factors, and the use of tailored kinetic constraints can improve the accuracy of the results.
Article
Chemistry, Physical
Paul L. L. Houston, Chen Qu, Qi Yu, Riccardo Conte, Apurba Nandi, Jeffrey K. K. Li, Joel M. M. Bowman
Summary: This article describes a method for describing a potential energy surface using a basis of permutationally invariant polynomials. The coefficients of these polynomials are determined through numerical regression to fit a dataset of electronic energies and gradients smoothly. The article addresses questions on how to create an efficient basis, including selecting the appropriate polynomials, determining the number of polynomials needed, ensuring correct reproduction of zero interaction at large distances, maintaining special symmetries, and efficiently calculating gradients. The article also introduces programs to manipulate the polynomials and write efficient Fortran programs for energy and gradient calculations, along with a user-friendly interface for accessing symmetrization approach results. The software for these programs is publicly available.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Biochemistry & Molecular Biology
Zeying Li, Na Feng, Xinkang Li, Yuan Lin, Xiangzhi Zhang, Baoqiong Li
Summary: This study proposes a simple method to obtain new constructed three-dimensional (3D) EEM spectra based on the original EEM spectra, and applies the N-PLS method to quantify target compounds in these new constructed 3D EEM spectra. Comparison with other methods has shown that the new constructed 3D EEM spectra give better analysis results and can be used for the simultaneous determination of multiple target compounds.
Article
Food Science & Technology
Guomin Han, Lingmin Dai, Yuhang Sun, Chao Li, ShiLi Ruan, Jiming Li, Yan Xu
Summary: This study successfully predicted the age of dry red wines using color parameters and pigments through partial least squares (PLS) and multiple linear regression (MLR). Both models accurately predicted the age, with high coefficients of determination and low root mean square error of cross-validation. The ratio of the first polymeric pigments (TFPP) and malvidin-3-glycoside was identified as a promising chemical parameter for rapid and simple age assessment of dry red wines.
Article
Materials Science, Multidisciplinary
Luiz G. A. de Carvalho, Luiz G. L. Guimaraes, Ellen Raphael, Marco A. Schiavon, Bruno H. S. Torquato da Silva, Daniela P. dos Santos, Jordy A. Carneiro, Jose Henrique Faleiro, Helliomar P. Barbosa, Jefferson L. Ferrari
Summary: Researchers aim to develop materials with higher efficient photoluminescent properties, especially those containing Rare Earths, which can be applied in various technological sectors. The study found that polymeric membranes based on chitosan and gelatin with Eu3+ on the surface exhibited high intensity of photoluminescence emission and longer lifetime values, with a homogeneous surface morphology free of cracks.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2021)
Article
Mathematics, Interdisciplinary Applications
T. Bode, C. Weissenfels, P. Wriggers
Summary: This work presents a meshfree particle scheme for arbitrary deformations that possesses the accuracy and properties of the Finite-Element-Method. The scheme can handle arbitrary particle distributions and offers advantages in terms of increased loading range and simplified pre-processing compared to the FEM. The key to this new meshfree method lies in the fulfillment of essential requirements for spatial discretization schemes.
COMPUTATIONAL MECHANICS
(2022)
Article
Engineering, Mechanical
Da Teng, Yun-Wen Feng, Jun-Yu Chen
Summary: In this study, an intelligent weighted Kriging-based moving extremum framework is developed by incorporating moving least squares thought, Gaussian weight, particle swarm optimization method and Kriging model into extremum response surface method. The effectiveness of the method is demonstrated through the verification of radial deformation of turbine blisk, showing high performance compared to direct simulation, ERSM and traditional Kriging model.
ENGINEERING FAILURE ANALYSIS
(2022)
Article
Energy & Fuels
Abdullah Sultan Al Shammre, Benaissa Chidmi
Summary: This paper examines the forecasting accuracy of time series models augmented with partial least-squares (PLS) components extracted from economic data. The results show that PLS components extracted from FRED-MD data can reduce forecasting errors of linear models like ARIMA and SARIMA, but perform poorly during high-volatility periods. In contrast, conditional variance models like ARCH and GARCH generate more accurate forecasts regardless of the usage of PLS components from FRED-MD data.
Article
Automation & Control Systems
Liang Zhang, Juan Lu, Chengyi Ou, Junyan Ma, Xiaoping Liao
Summary: This article proposes an adaptive tool path generation method for CNC machining, which discretizes the original part contour into smooth trajectories consisting of straight lines and circular arcs, and implements it through a double-headed snake algorithm. Experiments show that the toolpath data of this method are reduced by 75.56% compared to commercial CAM software, and the contour error is reduced by more than one order of magnitude when the number of toolpath segments is equal. Additionally, this method can achieve a smoother machining surface and a more stable cutting force.
INTERNATIONAL JOURNAL OF ADVANCED MANUFACTURING TECHNOLOGY
(2023)
Article
Chemistry, Multidisciplinary
Bingqing Liu, Jian Jiao, Wan Xu, Miya Zhang, Peng Cui, Zhengqing Guo, Yibin Deng, Huabing Chen, Wenfang Sun
Summary: This study presents a neutral Ir(III) complex containing BODIPY-Ir that efficiently generates reactive oxygen species (ROS) and hyperthermia upon far-red light activation, enhancing in vivo tumor suppression through micellization. The complex completely destroys breast tumors and suppresses metastatic nodules under light irradiation, without significant dark cytotoxicity. This approach shows promise in developing potent cancer therapy using far-red/NIR photosensitizers.
ADVANCED MATERIALS
(2021)
Article
Chemistry, Analytical
Lei Yao, Qingguang Gao, Dailin Zhang, Wanpeng Zhang, Youping Chen
Summary: This study proposes an integrated compensation method using a deep learning network and the least squares method to compensate for a six-axis force sensor in complex manufacturing scenarios, eliminating the impact of zero drift, system error, and gravity on contact force data. The experimental results show that the proposed method provides effective and robust compensation for force disturbance, achieving high measurement accuracy.
Article
Food Science & Technology
Julieta Cavaglia, Silvia Mas Garcia, Jean-Michel Roger, Montserrat Mestres, Ricard Boque
Summary: A new methodology for describing the evolution of chemical compounds during wine fermentation is proposed using ATR-MIR spectra and MCR-ALS analysis. The method allows for accurate analysis and resolution of relevant compounds, and the construction of MSPC charts based on concentration profiles. The use of T-2 and Q statistics enables the detection of deviations in the fermentation process.
Article
Chemistry, Analytical
Mengmeng Guo, Na Luo, Yueling Bai, Zhenggang Xue, Qingmin Hu, Jiaqiang Xu
Summary: A porous heterostructure WO3-C/In2O3 was designed and prepared for a miniature H2 sensor, which showed higher response value, lower operating temperature, fast response-recovery speed, and low limit of detection.
SENSORS AND ACTUATORS B-CHEMICAL
(2024)
Article
Chemistry, Analytical
Feng Hu, Hui Hu, Yuting Li, Xiaohui Wang, Xiaowen Shi
Summary: Arsenic contamination in water bodies is a significant health risk. This study developed a chitosan-catechol modified electrode for rapid and accurate detection of trace amounts of arsenic. The modified electrode demonstrated good detection capability and resistance to ionic interference, making it suitable for in situ detection.
SENSORS AND ACTUATORS B-CHEMICAL
(2024)
Article
Chemistry, Analytical
Yantao Zhang, Qian Liu, Tao Tian, Chunhua Xu, Pengli Yang, Lianju Ma, Yi Hou, Hui Zhou, Yongjun Gan
Summary: In this study, a lysosome-targeting buffering fluorogenic probe (Lyso-BFP) was designed and synthesized, demonstrating excellent photostability, pH specificity, and responsiveness to lysosomal acidification in living cells. The performance of Lyso-BFP in pH sensing was attributed to the inhibition of the photo-induced electron transfer process. Lyso-BFP allowed for wash-free imaging and long-term real-time monitoring of lysosome pH changes based on its off-on fluorescence behavior and buffer strategy.
SENSORS AND ACTUATORS B-CHEMICAL
(2024)
Article
Chemistry, Analytical
Wei Cai, Wenbo Sun, Jiayue Wang, Xiaokui Huo, Xudong Cao, Xiangge Tian, Xiaochi Ma, Lei Feng
Summary: In this study, a near-infrared fluorescent probe HCBG was developed for imaging of alpha-GLC. HCBG exhibited excellent selectivity and sensitivity towards alpha-GLC in complex bio-samples, and showed good cell permeability for in situ real-time imaging. Through the high-throughput screening system established by HCBG, a natural alpha-GLC inhibitor was successfully isolated and identified. This study provides a novel fluorescence visualization tool for discovering and exploring the biological functions of diabetes-related gut microbiota, and a high-throughput screening approach for alpha-GLC inhibitor.
SENSORS AND ACTUATORS B-CHEMICAL
(2024)
Article
Chemistry, Analytical
Trey W. Pittman, Xi Zhang, Chamindie Punyadeera, Charles S. Henry
Summary: Heart failure is a growing epidemic and a significant clinical and public health problem. Researchers have developed a portable and affordable diagnostic device for heart failure that can be used at the point-of-care, providing a valid alternative to current diagnostics approaches.
SENSORS AND ACTUATORS B-CHEMICAL
(2024)
Article
Chemistry, Analytical
Anders O. Tjell, Barbara Jud, Roland Schaller-Ammann, Torsten Mayr
Summary: An optical hydrogen peroxide sensor based on catalytic degradation and the detection of produced oxygen is presented. The sensor offers higher resolution and better sensitivity at lower H2O2 concentrations. By removing O2 from the sample solution, a more sensitive O2 sensor can be used for measurement. The sensor has been successfully applied in a flow-through cell to measure H2O2 concentration in different flow rates.
SENSORS AND ACTUATORS B-CHEMICAL
(2024)
Article
Chemistry, Analytical
Seong Jae Kim, Ji-hun Jeong, Gaabhin Ryu, Yoon Sick Eom, Sanha Kim
Summary: Surface-enhanced Raman spectroscopy (SERS) is a high-sensitivity, label-free detection method with various analytical applications. Researchers have developed a hydrophobic SERS substrate based on engineered carbon nanotube arrays (CNT-SERS) and studied the role of structural design at both micro and nanoscales. The substrate demonstrated controlled self-enrichment capability and enhanced sensitivity, with a significant increase in the SERS signal. The study also proposed a theoretical model and a concentration strategy inspired by plants for analyte deposition on microarrays.
SENSORS AND ACTUATORS B-CHEMICAL
(2024)
Article
Chemistry, Analytical
Dan Zhao, Renjun Jiang, Xiaoqiang Liu, Subbiah Alwarappan
Summary: In this study, a novel ternary composite material was constructed by assembling cerium vanadate nanorods on reduced graphene oxide-microcrystalline cellulose nanosheets, and it was used for real-time monitoring of the concentration of superoxide anions in vivo. The ternary composite showed excellent conductivity, large surface area, and abundant active sites, leading to a wider linear range, high sensitivity, low detection limit, and fast response time for superoxide anion detection.
SENSORS AND ACTUATORS B-CHEMICAL
(2024)
Article
Chemistry, Analytical
Tengfei Wang, Liwen Wang, Guang Wu, Dating Tian
Summary: In this study, a covalent organic framework material TaTp-COF with porous and uniform spheres was successfully prepared via hydrothermal reaction, and it was found to significantly enhance the aggregation-induced emission (AIE) of berberine. The unique emission properties of berberine on TaTp-COF were studied and utilized for the sensitive detection of berberine.
SENSORS AND ACTUATORS B-CHEMICAL
(2024)
Article
Chemistry, Analytical
Lin Li, Yilei Ding, Lei Xu, Shuoran Chen, Guoliang Dai, Pengju Han, Lixin Lu, Changqing Ye, Yanlin Song
Summary: In this study, a novel TTI based on a ratiometric fluorescent nanosensor is designed, which has the advantages of high accuracy and low cost. Experimental and theoretical investigations confirm its pH responsiveness and demonstrate its good sensitivity and reliability. By monitoring the total volatile basic nitrogen, this TTI can accurately predict food spoilage and can be adaptively modified for different types of food. The TTI based on this nanosensor enables visual monitoring of food quality.
SENSORS AND ACTUATORS B-CHEMICAL
(2024)
Article
Chemistry, Analytical
Fangju Chen, Xueting Wang, Wei Chen, Chenwen Shao, Yong Qian
Summary: Lung cancer is the second most common malignant tumor worldwide. Drug resistance in lung cancer leads to treatment failure and recurrence in majority of patients. This study developed a fluorescent prodrug that can be activated in cancer cells to release drugs, and its signal can be tracked by imaging. It shows a unique autophagy-driven ferroptosis effect, indicating its potential for targeting drug-resistant cancer cells.
SENSORS AND ACTUATORS B-CHEMICAL
(2024)
Article
Chemistry, Analytical
Weichao Li, Qiming Yuan, Zhangcheng Xia, Xiaoxue Ma, Lifang He, Ling Jin, Xiangfeng Chu, Kui Zhang
Summary: This study developed a high-performance gas sensor for formaldehyde detection by modifying ZnSnO3 with ZnO QDs and SnO2 QDs. The modified sensor showed improved sensing response and lower working temperature. The presence of ZnO QDs formed rich heterojunctions, increased surface area, and provided oxygen deficiency for formaldehyde sensing reaction, thus enhancing the sensor performance. This research provides an alternative method to enhance the sensing properties of MOS by QDs modification.
SENSORS AND ACTUATORS B-CHEMICAL
(2024)
Article
Chemistry, Analytical
Joung-Il Moon, Eun Jung Choi, Younju Joung, Jin-Woo Oh, Sang-Woo Joo, Jaebum Choo
Summary: A novel nanoplasmonic substrate was developed for biomedical applications, which showed strong hot spots for detecting biomarkers at low concentrations. The substrate, called AuNPs@M13, was made by immobilizing 60 nm gold nanoparticles onto the surface of an M13 bacteriophage scaffold. It demonstrated higher sensitivity and lower limit of detection compared to commercially available assays.
SENSORS AND ACTUATORS B-CHEMICAL
(2024)
Article
Chemistry, Analytical
Ning Li, Ya Zhang, Ying Xu, Xiaofang Liu, Jian Chen, Mei Yang, Changjun Hou, Danqun Huo
Summary: The molecular subtype of breast cancer guides treatment and drug selection. Invasive tests can promote cancer cell metastasis, so the development of high-performance, low-cost diagnostic tools for cancer prognosis is crucial. Liquid biopsy techniques enable noninvasive, real-time, dynamic, multicomponent, quantitative, and long-term observations at the cellular, genetic, and molecular levels. A Cu-Zr metal-organic framework (MOF) nanoenzyme with monatomic Cu attachment has been synthesized and proven to have high catalytic performance. The sensor constructed using this nanoenzyme shows potential for accurate classification of breast cancer serum samples.
SENSORS AND ACTUATORS B-CHEMICAL
(2024)
Article
Chemistry, Analytical
Jeongmin Kim, Hyemin Kim, Seunghyun Park, Hyeonaug Hong, Yong Jae Kim, Jiyong Lee, Jaeho Kim, Seung-Woo Cho, Wonhyoung Ryu
Summary: This study presents a method to fabricate independently functioning microneedle (MN) electrodes with narrow intervals for high precision electrochemical sensing. The optimized mixture of photocurable polymer and single-wall carbon nanotubes was used to mold single composite MNs, which were then attached to pre-patterned electrodes. Plasma etching and electropolymerization were performed to enhance the electrochemical activity, and Prussian blue and glucose oxidase were electrodeposited on the MNs for glucose detection. The MN electrodes showed good sensitivity and linearity, and the feasibility of glucose detection was demonstrated in an in vivo mouse study.
SENSORS AND ACTUATORS B-CHEMICAL
(2024)