Article
Automation & Control Systems
Lele Gao, Liang Zhong, Yongheng Wei, Lei Nie, Lian Li, Hailing Dong, Hui Zhang, Qin Dong, Hengchang Zang
Summary: This study proposes a method combining near-infrared spectroscopy and chemometrics to rapidly detect and determine the endpoint of the extraction process of Stevia rebaudiana Bertoni leaves. Quantitative analysis methods can quickly detect the changes in the content of steviol glycosides and have good prediction results. Qualitative analysis methods are consistent with high-performance liquid chromatography results and can rapidly determine the extraction endpoint. Finally, Aqua-photomic reveals the variation of the extraction process.This research provides important reference for the production processes of other food, medicinal plants, and agricultural products.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
(2022)
Article
Biochemistry & Molecular Biology
Samantha N. Rowland, Mariasole Da Boit, Rachel Tan, George P. Robinson, Emma O'Donnell, Lewis J. James, Stephen J. Bailey
Summary: Short-term dietary nitrate supplementation can enhance performance in submaximal endurance and short-duration, maximal-intensity exercise. A study found that participants who ingested NO3--rich beetroot powder had higher plasma [NO3-] and [NO2-] levels, and showed improved mean power output and faster muscle oxygenation kinetics during an end-sprint. These findings suggest that NO3- supplementation can improve end-sprint performance in endurance events when taken before and during exercise.
Article
Automation & Control Systems
Belmiro P. M. Duarte, Anthony C. Atkinson, Jose F. O. Granjo, Nuno M. C. Oliveira
Summary: This paper presents a method for D- and A-optimal design for general blending models, focusing on the process from estimating regression coefficients to finding locally optimal designs, and transforming the OED problem into an optimization problem. The approach has been applied to polynomial blending models and practical examples of interest.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
(2021)
Article
Pharmacology & Pharmacy
Natasha L. Velez-Silva, James K. Drennen III, Carl A. Anderson
Summary: This study focuses on assessing the impact of powder physical variation on near-infrared (NIR) spectroscopy and develops an in-line characterization method for powder stream density in a simulated continuous system. The results demonstrate that powder density is a significant source of spectral variability due to flow rate. This study is important for facilitating continuous process scale-up and ensuring the robustness of analytical models.
INTERNATIONAL JOURNAL OF PHARMACEUTICS
(2023)
Article
Engineering, Chemical
Sijun Wu, Xiaoyang Zhang, Guoming Zhou, Jiaheng Wu, Wen Song, Ying Zhang, Zheng Li, Wenlong Li
Summary: A method based on near-infrared spectroscopy was proposed to rapidly determine physical parameters of herbal medicine. The potential of direct standardization, partial least squares regression, and generalized regression neural network (GRNN) for physical fingerprint transformation was investigated. The results showed that the predictive capacity of GRNN models was the best.
ADVANCED POWDER TECHNOLOGY
(2023)
Article
Spectroscopy
Xuefen Sun, Huiling Li, Yuan Yi, Haimin Hua, Ying Guan, Chao Chen
Summary: This study successfully explored the feasibility of detecting and quantifying cheap adulterants in Chinese functional food using NIR spectroscopy and chemometrics methods. Discriminative and quantitative models were established to distinguish and determine the content of adulterants, with model quality evaluated through various validation methods. The results indicated the robustness and applicability of the method for rapid detection of adulteration in herbal plants or functional foods.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Chemistry, Analytical
Zhiwei Jiang, Lingjiao Zhong, Jiejie Xue, Jiao Lv, Fenfen Zhou, Yimin Zhou, Yiqing Xu, Qingsong Shao, Ailian Zhang
Summary: In this study, near-infrared spectroscopy (NIRS) and hyperspectral imaging techniques (HSI) were used with data fusion strategies to quickly detect the adulteration of Ganoderma lucidum spore powder (GLSP). The results showed that NIRS was more advantageous than HSI in identifying and predicting the adulteration level of GLSP. Mid-level fusion strategy was found to be more suitable for adulteration identification, achieving 100% accuracy, precision, recall, and F1 score at random frog (RF) level. Therefore, the data fusion of NIRS and HSI can be used for quality evaluation and detection of GLSP, providing a new approach for functional food assessment.
MICROCHEMICAL JOURNAL
(2023)
Review
Biochemistry & Molecular Biology
Charlotte Delrue, Sander De Bruyne, Marijn M. Speeckaert
Summary: Traditional renal biomarkers are insensitive for early detection of kidney disease. Infrared spectroscopy offers a label-free and non-destructive method for quick and inexpensive diagnosis of kidney disorders. This review provides an overview of the applications of near- and mid-infrared spectroscopy in patients with acute kidney injury and chronic kidney disease.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Applied
Jizhong Wu, Muhammad Zareef, Quansheng Chen, Qin Ouyang
Summary: Consumer preference for matcha is influenced by its physicochemical properties. The combination of visible-near infrared (Vis-NIR) spectroscopy and multivariate analysis allows for rapid and non-invasive evaluation of matcha particle size and the ratio of tea polyphenols to free amino acids (P/F ratio). The study compared different variable selection algorithms and proposed the hybridization of interval combination population analysis (ICPA) and competitive adaptive reweighted sampling (CARS) for selecting characteristic wavelengths to build partial least squares (PLS) models. The results showed that the ICPA-CARS-PLS models performed well in evaluating matcha particle size (Rp = 0.9376) and P/F ratio (Rp = 0.9283), demonstrating the significance of rapid, effective, and nondestructive online monitoring using Vis-NIR reflectance spectroscopy and chemometric models in matcha production.
Article
Agricultural Engineering
M. I. S. Verissimo, C. Soares, C. F. Moreirinha, M. T. S. R. Gomes
Summary: In this study, a method based on NIR spectroscopy was used to predict the pour point and ethanol content of biodiesel mixtures. The results showed that this method has good prediction capability and is faster and more convenient compared to the traditional ASTM D97-08 procedure.
BIOMASS & BIOENERGY
(2023)
Article
Food Science & Technology
Shijie Shi, Junheng Feng, Yingying Ma, Cougui Cao, Lina Li, Yang Jiang
Summary: This study used NIR spectroscopy and PLSR to rapidly and accurately predict the levels of illegal additives in wheat flour. The CARS-RF and RF algorithms showed great potential in accurately predicting the presence of illegal additives.
LWT-FOOD SCIENCE AND TECHNOLOGY
(2023)
Article
Chemistry, Analytical
Diletta Biagi, Paolo Nencioni, Maurizio Valleri, Niccolo Calamassi, Paola Mura
Summary: The study aimed to develop an NIR analytical method for bilastine assay in powder mixtures for direct compression, to achieve real-time monitoring and ensure blend uniformity. By combining NIRS technology with chemometrics, a Partial Least Square (PLS) model with good predictive ability was successfully established.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2021)
Article
Chemistry, Multidisciplinary
Giuseppe Bonapace, Francesco Gentile, Nicola Coppede, Maria Laura Coluccio, Virginia Garo, Marco Flavio Michele Vismara, Patrizio Candeloro, Giuseppe Donato, Natalia Malara
Summary: This study introduces a method to assess methylglyoxal adducts content in secretome using near-infrared spectroscopy and extreme learning machine. The method is simple, rapid, and can automatically segregate tumor patients from non-tumor patients, showing potential for cancer detection and differentiation.
Article
Materials Science, Paper & Wood
Chao Li, Lixin Zhang, Xinyu Ma, Xilong Wang
Summary: A fast and effective nondestructive testing method was designed to study the mechanical properties of Bamboo-wood composite cross-laminated timber (BCLT). By using near-infrared spectrometer and four-point bending experiment, mechanical property data of BCLT were obtained and NIR prediction model was established through partial least squares method. Finite element modeling analysis showed that the prediction error of the mechanical properties of BCLT plate was less than 10%.
Article
Chemistry, Applied
Arian Amirvaresi, Nastaran Nikounezhad, Maryam Amirahmadi, Bahram Daraei, Hadi Parastar
Summary: The study found that NIR spectroscopy is more effective than MIR in predicting the origin of saffron samples, while PLS-DA shows high accuracy in detecting adulterants, with NIR demonstrating excellent performance in estimating the level of adulteration.
Article
Instruments & Instrumentation
Sameer Talwar, Cletus Nunes, Tim Stevens, Vishwas Nesarikar, Peter Timmins, Carl A. Anderson, James K. Drennen
APPLIED SPECTROSCOPY
(2017)
Article
Instruments & Instrumentation
Benoit Igne, Hiroaki Arai, James K. Drennen, Carl A. Anderson
APPLIED SPECTROSCOPY
(2016)
Article
Pharmacology & Pharmacy
Md Anik Alam, Zhenqi Shi, James K. Drennen, Carl A. Anderson
INTERNATIONAL JOURNAL OF PHARMACEUTICS
(2017)
Article
Automation & Control Systems
Shikhar Mohan, Bruce R. Buchanan, Glen D. Wollenberg, Benoit Igne, James K. Drennen, Carl A. Anderson
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
(2018)
Article
Chemistry, Analytical
Md Nayeem Hossain, Benoit Igne, Carl A. Anderson, James K. Drennen
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2019)
Review
Chemistry, Medicinal
Shikhar Mohan, Eiji Kato, James K. Drennen, Carl A. Anderson
JOURNAL OF PHARMACEUTICAL SCIENCES
(2019)
Article
Chemistry, Analytical
Shikhar Mohan, Noritaka Odani, Nayeem Hossain, Hanzhou Feng, Yi Li, Eiji Kato, James K. Drennen, Carl A. Anderson
ANALYTICAL CHEMISTRY
(2020)
Article
Biotechnology & Applied Microbiology
Suyang Wu, Stephanie A. Ketcham, Claudia C. Corredor, Douglas Both, James K. Drennen, Carl A. Anderson
Summary: Cell death is a common failure mode in mammalian cell culture, and apoptosis is the main death process observed. Detecting apoptosis in a timely manner is crucial for preventive control and product quality. This study presents a quantification model using capacitance spectroscopy to measure the percentage of apoptotic cells in an at-line setup, which offers a rapid, simple, and less labor-intensive alternative to traditional methods.
BIOTECHNOLOGY AND BIOENGINEERING
(2022)
Review
Biotechnology & Applied Microbiology
Adam J. Rish, James K. Drennen, Carl A. Anderson
Summary: Extensive knowledge of CHO cell metabolism is crucial for enhancing manufacturing productivity. The metabolism of CHO cells typically involves three stages: exponential growth, stationary, and death. Understanding these metabolic changes can lead to improvements in culture quality through identifying sources of toxicity and potential pathways for genetic engineering.
BIOTECHNOLOGY PROGRESS
(2022)
Article
Pharmacology & Pharmacy
Natasha L. Velez, James K. Drennen, Carl A. Anderson
Summary: This article reviews the applications of near infrared spectroscopy (NIR) for powder blend monitoring in the continuous manufacturing of solid oral dosage forms. It focuses on the challenges faced by NIR methods in monitoring blend uniformity, as well as the opportunities for optimization and recent advances in effective sample size measurement, probe location, and method robustness.
INTERNATIONAL JOURNAL OF PHARMACEUTICS
(2022)
Article
Chemistry, Medicinal
Lauren Fontana, Carl Anderson, Robin Bogner, Michael Pikal
Summary: Raman scattering is a promising routine tool for detecting secondary and smaller tertiary structural changes in both solutions and solids before aggregation. A new method utilizing principal component analysis (PCA) of Raman spectra successfully detected pH-induced changes in protein structure linked to aggregate formation. The long-term goal is to explore Raman characterization as a routine monitoring tool for protein stability in both solution and solid states.
JOURNAL OF PHARMACEUTICAL SCIENCES
(2023)
Article
Pharmacology & Pharmacy
Natasha L. Velez-Silva, James K. Drennen III, Carl A. Anderson
Summary: This study focuses on assessing the impact of powder physical variation on near-infrared (NIR) spectroscopy and develops an in-line characterization method for powder stream density in a simulated continuous system. The results demonstrate that powder density is a significant source of spectral variability due to flow rate. This study is important for facilitating continuous process scale-up and ensuring the robustness of analytical models.
INTERNATIONAL JOURNAL OF PHARMACEUTICS
(2023)
Article
Automation & Control Systems
Adam J. Rish, Natasha L. Velez-Silva, Samuel Henson, Md. Nahid Hasan, James K. Drennen, Carl A. Anderson
Summary: The use of calibration-free or minimal calibration chemometric modeling approaches has gained attention in the pharmaceutical industry as process analytical technologies expand. This study proposes a new diagnostic called NAS-T, which compares the shape of net analyte signals (NAS) between pure components and sample mixtures, to identify outliers in near-infrared spectral samples. The results support the adoption of pure component models for PAT applications in the pharmaceutical industry.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
(2023)
Article
Instruments & Instrumentation
Sameer Talwar, Rahul Roopwani, Carl A. Anderson, Ira S. Buckner, James K. Drennen
APPLIED SPECTROSCOPY
(2017)
Article
Instruments & Instrumentation
Hanzhou Feng, Robert W. Bondi, Carl A. Anderson, James K. Drennen, Benoit Igne
APPLIED SPECTROSCOPY
(2017)
Article
Chemistry, Analytical
Bingbing Liu, Jie Cao, Lu Liu, Min Zeng, Hongli Yu, Hao Wu
Summary: This study investigated the effect of processing with Chebulae Fructus on the chemical composition of Euphorbia pekinensis (EP) and found that it could alter the composition and reduce toxicity, providing a scientific basis for optimizing processing technology and handling other ethnomedicines with toxic properties.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2024)
Article
Chemistry, Analytical
Renuka P. Rathnasekara, Abu M. Rustum
Summary: A simple and robust HPLC method was developed for simultaneous determination of four active pharmaceutical ingredients and their degradation products. The method successfully separated the peaks of interest and demonstrated stability-indicating capability by separating the degradation products in stressed samples.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2024)
Article
Chemistry, Analytical
Bryan Lee, Gita Kharal, Benjamin Sreenan, Claire Lin, Ruosheng Zeng, Colin A. Fox, Patricia Ellison, Robert O. Ryan, Paul J. Brett, David Aucoin, Xiaoshan Zhu
Summary: In this study, a new type of Mn-doped nanocrystals was developed for detecting a biomarker of a fatal disease. The sensitivity of the detection was enhanced by surface treatment and time-resolved reading, achieving a detection limit comparable to enzyme-based immunoassay.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2024)
Article
Chemistry, Analytical
Xiaoling Liu, Ting Yang, Lu Chen, Lili Lan, Guoxiang Sun, Ping Guo
Summary: In this study, the quality of Yiqing tablet was comprehensively evaluated using multi-component quantification, multi-dimensional fingerprint construction, and antioxidant activity analysis. The results showed that the sample had 25 components with antioxidant activity according to the HPLC fingerprint and most bands of FTIR also showed antioxidant activity. Based on the evaluation results of HPLC and FTIR fingerprint, all samples were classified as first level, demonstrating the consistency of sample quality. This study provides a new idea for achieving comprehensive quality evaluation of traditional Chinese medicines.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2024)
Article
Chemistry, Analytical
Siqi Li, Hao Guo, Yan Gao, Wen Tian, Shan Wang, Chen Shen, Lili Xu, Hailong Liu, Jinliang Zhang, Yingwu Wang
Summary: Using competitive ELISA to detect free cytokines is limited in accurately determining their real state and quantity. In this study, a novel cytokine immunoassay was developed using Rosetta molecular docking prediction technique to establish a method that can detect the true concentration of free cytokines without disrupting the dynamic equilibrium.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2024)
Article
Chemistry, Analytical
Changqing Yu, Tiantian Xie, Haiyan Liu, Ligai Bai
Summary: A phenyl-hybrid monolithic adsorbent with porous structure and multiple functional groups was prepared. It was used for the online extraction and quantification of coumarins in mouse plasma, showing good removal ability and selectivity.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2024)
Article
Chemistry, Analytical
Joao B. Pereira Jr, Vanessa S. Carvalho, William Q. Ferreira, Rennan G. O. Araujo, Sergio L. C. Ferreira
Summary: This work presents a simple, cost-effective, and environmentally friendly method for determining the content of multiple elements in medicinal herbs using ICP OES. The optimized experimental parameters result in low dissolved organic carbon content and residual acidity concentration. The accuracy of the method is confirmed through the analysis of certified reference materials, and its environmental friendliness is validated using the AGREE metric. Principal component analysis is used to classify the medicinal herbs based on their inorganic constituent concentrations.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2024)
Article
Chemistry, Analytical
Orwa Siddig, Chenxi Liu, Mohamed Abdulbagi, Min Song, Yu-ting Lu, Tai-jun Hang
Summary: In this study, a reliable LC-QTOF-MS method was developed to separate and characterize process-related substances and degradation products of Lurasidone hydrochloride. The results showed that Lurasidone hydrochloride exhibited instability under certain stress conditions, and several previously unidentified compounds were discovered. The study emphasizes the importance of monitoring and controlling related substances in the manufacturing processes to optimize the process and ensure quality control.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2024)
Article
Chemistry, Analytical
Jiaxi Fang, Luping Wang, Di Zhang, Yan Liang, Shouxin Li, Jingkui Tian, Qiang He, Juan Jin, Wei Zhu
Summary: This study reports that a novel compound called CPS-A exhibits therapeutic effects on cisplatin-induced acute kidney injury (AKI) and explores its potential mechanisms through transcriptomics and metabolomics. CPS-A improves cell viability, reduces inflammatory markers, and attenuates cisplatin-induced kidney injury. The study also identifies potential targets related to amino acid metabolism.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2024)
Article
Chemistry, Analytical
Ricardo Conde, Nadia Oliveira, Elisabete Morais, Ana Paula Amaral, Adriana Sousa, Goncalo Graca, Ignacio Verde
Summary: Decreased levels of tyrosine, glutamate, valine, leucine, and isoleucine are associated with worsening pathological cognitive decline. Decreased levels of isobutyrate, histidine, acetone, and unknown-1 metabolite are potential biomarkers with neuroprotective and antioxidant actions for cognitive decline.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2024)
Article
Chemistry, Analytical
A. L. Santunione, F. Palazzoli, P. Verri, D. Vandelli, V. Castagnetti, C. Profeta, E. Silingardi
Summary: This study describes two fatal suicide cases involving four cardiovascular drugs, and presents the concentrations and distribution of these drugs in different post-mortem specimens. The study developed a fast, sensitive, and simple method for drug detection suitable for forensic purposes.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2024)
Article
Chemistry, Analytical
Meiyun Shi, Xinyue Zheng, Yuncheng Ge, Ning Zhang, Luyao Yu, Xujian Duan, Yajun Liu, Hongyu Xue, Jiansong You, Lei Yin
Summary: This study investigated the cellular uptake of low, medium and high molecular weight polyethylene glycol (PEG) in MCF-7 cells using UPLC-MS/MS and CID techniques. The results showed that PEG600, PEG2K, PEG4K and PEG10K exhibited low toxicity and had limited cellular entry at concentrations of 5-1200 μg/mL. Additionally, the environmental friendliness of the developed analytical methods was evaluated.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2024)
Article
Chemistry, Analytical
Ruijin Geng, Mengjie Yu, Jinbiao Xu, Yuanwang Wei, Qiong Wang, Junguo Chen, Fei Sun, Kun Xu, Han Xu, Xiaohui Liu, Juhua Xiao, Xianchao Zhang, Baogang Xie
Summary: This study validated serum methionine as a potential biomarker for Kawasaki disease (KD), and found that its alteration is associated with the activation of DNMT1 in KD patients.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2024)
Article
Chemistry, Analytical
Eman Shawky, Rasha A. Nassra, Aliaa M. T. El-Alkamy, Shaimaa M. Sallam, Samah M. El Sohafy
Summary: This study employed network pharmacology-based analysis and reverse molecular docking to investigate the molecular targets and pathways associated with gynecological disorders and the potential therapeutic effects of fenugreek constituents. The results highlighted the potential of steroidal saponins, isoflavones, and flavones as active constituents of fenugreek with implications for lactation, reproductive processes, and estrogenic activity. Animal model study further supported the presence of these bioactive compounds and their effects on body weight, serum prolactin levels, serum estradiol levels, and ovarian histological structure.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2024)
Article
Chemistry, Analytical
Xuelong Zhao, Ruixue Dai, Jing Wang, Liangliang Cao, Peidong Chen, Weifeng Yao, Fangfang Cheng, Beihua Bao, Li Zhang
Summary: This study identified the skin-permeable and skin-retainable components of Cayratia japonica ointment and found that flavonoids are the main active components that play a crucial role in the inflammatory and proliferative phases of wound healing.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2024)