Article
Instruments & Instrumentation
Haimin Hua, Yuan Yi, Huiling Li, Chao Chen
Summary: An analytical model based on near infrared spectroscopy was proposed to predict the main active ingredients of Poria cocos, acidic polysaccharides. Through careful comparison of various pretreatment methods and variable selection methods, a robust and optimal model was established, showing excellent prediction ability.
INFRARED PHYSICS & TECHNOLOGY
(2021)
Article
Chemistry, Analytical
Ying Guan, Tianya Ye, Yuan Yi, Haimin Hua, Chao Chen
Summary: A rapid and comprehensive method for quality evaluation of Plantaginis Semen (PS) was established using near-infrared spectroscopy combined with chemometrics. The method accurately determined the content of geniposidic acid (GEA), verbascoside (VE), isoverbascoside (IVE), total flavonoids (TF), and antioxidant activity (AOA) in PS. The quantitative models based on near-infrared spectroscopy showed good prediction accuracy.
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
(2022)
Article
Spectroscopy
Tianya Ye, Yuhui Zheng, Ying Guan, Yue Sun, Chao Chen
Summary: This study established a method for quality evaluation of Crataegus pinnatifida Bunge, also known as Shanzha, using near-infrared spectroscopy combined with chemometrics. Seventy-two batches of Shanzha samples were collected and their total and monomer components as well as antioxidant activity were determined. The measured values were correlated with the near infrared spectra of Shanzha, and partial least squares regression models were established. After optimization, the models showed good prediction abilities, making this method a feasible alternative for comprehensive and rapid quality evaluation of Shanzha.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Food Science & Technology
Jing Xie, Jianhua Huang, Guangxi Ren, Jian Jin, Lin Chen, Can Zhong, Yuan Cai, Hao Liu, Rongrong Zhou, Yuhui Qin, Shuihan Zhang
Summary: This study used near-infrared spectroscopy and chemometric method to identify the cultivation regions and determine the chemical compositions of Poria cocos. The results showed that the method was able to distinguish the production regions of Poria cocos and quantify its chemical contents accurately. It provided an effective approach for evaluating the quality of Poria cocos.
Article
Spectroscopy
Gerard Dumancas, Indra Adrianto
Summary: This study developed a stacked regression ensemble approach using near infrared spectroscopic method for accurate determination of biomass compositional analyses. The performance of various machine learning techniques was compared, and the stacked regression outperformed other methods, providing a more accurate prediction of biomass compositions.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Review
Food Science & Technology
Zhenjiao Du, Wenfei Tian, Michael Tilley, Donghai Wang, Guorong Zhang, Yonghui Li
Summary: This review provides a comprehensive overview of the methodology and applications of near-infrared spectroscopy (NIRS), emphasizing its importance and potential in wheat quality assessment. While NIRS has achieved significant progress in the quantitative determination of analytical parameters, challenges remain in determining rheological parameters and end product quality. Future research should focus on model development, integrating more data and techniques, and improving calibration methods.
COMPREHENSIVE REVIEWS IN FOOD SCIENCE AND FOOD SAFETY
(2022)
Article
Spectroscopy
Jian Li, Jihong Deng, Xue Bai, Diana da Graca Nseledge Monteiro, Hui Jiang
Summary: This study presents a chemometric framework utilizing NIR spectroscopy for quantitatively assessing AFB1 in peanuts. By employing IVSO and BWO algorithms for data processing and feature optimization, SVM models were developed, showing enhanced detection performance and generalization proficiency.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Chemistry, Applied
Yue Cheng, Ying Xie, Ji-chun Ge, Lei Wang, Dai-yin Peng, Nian-jun Yu, Yue Zhang, Yue-hang Jiang, Jian-ping Luo, Wei-dong Chen
Summary: In this study, a galactoglucan (PCP-1C) with hepatoprotective activity was purified from Poria cocos, showing significant liver protective effects in CCl4-treated mice by improving liver tissue damage, reducing oxidative stress and inflammation, and decreasing the expression of CAR and CYP2E1 in the liver. These results suggest that the hepatoprotective effect of PCP-1C is attributed to the inhibition of the CAR/CYP2E1 signal pathway and reduction of CCl4 metabolism.
CARBOHYDRATE POLYMERS
(2021)
Article
Spectroscopy
Huan Zhang, Xiaoyun Hu, Limei Liu, Junfu Wei, Xihui Bian
Summary: This study successfully utilized near infrared spectroscopy combined with chemometrics to quantitatively analyze the corn oil content in binary to hexanary edible blend oils. By employing spectral preprocessing and variable selection techniques, accurate prediction models were developed to determine the pure oil content in the blend oils.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Spectroscopy
Karlis Berzins, Samuel D. L. Harrison, Claudia Leong, Sara J. Fraser-Miller, Michelle J. Harper, Aly Diana, Rosalind S. Gibson, Lisa A. Houghton, Keith C. Gordon
Summary: Raman and ATR-FTIR spectroscopy were used to analyze 208 breast milk samples as part of a larger research study. Comprehensive qualitative and quantitative analysis was carried out using chemometric methods, revealing the relationship between macronutrients and sample metadata. The study location and primary food sources were found to have a stronger impact on fat composition than its absolute content, highlighting the limitations and challenges of using spectroscopic techniques for this type of analysis.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Food Science & Technology
Jiayi Li, Mei Yu, Shangke Li, Liwen Jiang, Yu Zheng, Pao Li
Summary: This paper proposed a novel strategy for nondestructive identification of different-origin and adulterated Poria cocos using a combination of paired preprocessing methods and principal component analysis to improve accuracy. The strategy significantly enhanced the accuracy of distinguishing different-origin and adulterated Poria cocos.
FOOD SCIENCE & NUTRITION
(2021)
Article
Food Science & Technology
Cinthia de Carvalho Couto, Otniel Freitas-Silva, Edna Maria Morais Oliveira, Clara Sousa, Susana Casal
Summary: In this study, near-infrared (NIR) spectroscopy and chemometrics were successfully used to detect common adulterants in roasted ground arabica coffee. The technique could discriminate pure samples from adulterated ones, including single and multiple adulterations. Additionally, NIR spectroscopy showed potential for geographical discrimination of arabica coffees.
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
Chemistry, Analytical
XueXue Miao, Ying Miao, ShuHua Tao, DengBiao Liu, Zuwu Chen, JieMin Wang, WeiDong Huang, YaYing Yu
Summary: The study explored the potential of using NIRS coupled with chemometric methods to distinguish rice samples of different storage years. Through principal components analysis and comparison of pattern recognition methods, the effectiveness of this technology in classifying rice from different storage years was confirmed, providing a new method for evaluating rice freshness in the market.
MICROCHEMICAL JOURNAL
(2021)
Article
Chemistry, Analytical
Claire McVey, Terry F. McGrath, Simon A. Haughey, Christopher T. Elliott
Summary: This study evaluated the use of a handheld near infrared spectroscopy device for determining oregano authenticity, achieving high prediction accuracy for both authentic oregano and adulterants. The research showed that the device could potentially be a cost-effective and reliable tool in detecting food fraud and monitoring food authenticity throughout the supply chain.
Article
Spectroscopy
Zh. E. Ozbekova, A. A. Abdyldaev, A. A. Kulmyrzaev
Summary: This study compared two drying methods for cow and yak muscles, finding that freeze drying caused less discoloration. Additionally, analysis of fluorescence spectra allowed for accurate prediction of chemical composition and color characteristics of the muscles.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Leo Mandic, Ivan Ljubic, Iva Dzeba
Summary: In this study, a combined experimental and computational approach was used to investigate the photoexcitation and photodegradation mechanisms of Doxazosin (DOX). The results provide valuable insights into the primary events following the photoexcitation of DOX and its potential applications.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Xiufeng Wang, Yao Jin, Wenhui Ai, Siqi Wang, Zhiqing Zhang, Ting Zhou, Fang Wang, Guodong Zhang
Summary: This study successfully synthesized near infrared fluorescence Ag2S quantum dots (QDs) and developed a dual-mode sensor for sulfide anion using the excellent oxidase-like characteristics of manganese dioxide (MnO2) nanosheets. The sensor showed a wider detection range, higher sensitivity, and shorter reaction time, making it suitable for highly selective detection of sulfide in different concentration ranges.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Yafei Li, Yanming Ma, Chuantao Zheng, Di Yu, Lien Hu, Shuo Yang, Fang Song, Yadan Li, Shuanghai Liu, Zhanrui Zhang, Yu Zhang, Yiding Wang, Frank K. Tittel
Summary: To effectively monitor gas explosion and coal spontaneous combustion in coal mine, an intrinsically safe and explosion-proof dual-gas sensor system was developed for methane (CH4) and carbon monoxide (CO) measurement. The system achieved different measurement ranges using laser scanning and gas cells, and improved stability and accuracy through gas pre-treatment and temperature compensation algorithm.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Pei-Rong Chen, Li-Kang Chu
Summary: In this study, the hydrates of glyoxal were investigated using infrared absorption spectrometry. The results showed that at low concentrations, glyoxal mainly exists as monomeric dihydrate. These findings provide suitable detection windows for further research on the roles of glyoxal and its hydrates in atmospheric and aerosol chemistry, as well as the relevant reaction kinetics.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Nichole O'Neill, Thamires A. Lima, Fabio Furlan Ferreira, Nicolas J. Alvarez, Reinhard Schweitzer-Stenner
Summary: This study determines the main fibril axis of GHG gel-forming fibrils using various techniques and compares the results with simulated data. The analysis suggests that the hydrophobic xz-surfaces of GHG fibrils could be a good target for the adsorption of hydrophobic drugs.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Mengyuan Liu, Hanchuang Zhu, Yikun Fang, Caiyun Liu, Xinke Li, Xiaohui Zhang, Lixue Ma, Kun Wang, Miaohui Yu, Wenlong Sheng, Baocun Zhu
Summary: ABHS is an efficient fluorescent probe that can accurately and sensitively detect Al3+ with strong resistance to interference. It also demonstrates excellent detection and imaging capabilities in complex real samples.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Ahmed S. El-Shafie, Evana Rahman, Yasser Gadelhak, Rehab Mahmoud, Marwa El-Azary
Summary: The recycling of waste mandarin peels into biochar (MRBC) has been used as a high performance and cost-effective adsorbent for treating polluted wastewater effluents. Batch adsorption studies were conducted to analyze the adsorption competency of MRBC on two dyes, methylene blue (MB) and basic fuchsin (BF), either in individual solutions or binary combinations. The results showed that MRBC was capable of effectively removing a high percentage of both dyes. However, the adsorption capacity decreased when the dyes were combined. The cost estimation of MRBC production and wastewater treatment indicated that both were relatively low.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Anindita Bhatta, Jahnabi Upadhyaya, Dipak Chamlagai, Lincoln Dkhar, Pynskhemborlang T. Phanrang, Mohan Rao Kollipara, Sivaprasad Mitra
Summary: Derivatives of thiazole-pyrazole fused benzo-coumarin compounds were synthesized and their photophysical properties were investigated. The synthesized coumarin compounds showed potential as therapeutic agents for Alzheimer's disease, inhibiting acetylcholinesterase activity. The presence of human serum albumin was found to affect the inhibition activity.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Yongwei Duan, Quancheng Liu, Yiju Zhu, Qi Zhang, Xiaohui Duan, Hu Deng, Liping Shang
Summary: In this study, the phase transition of CL-20 was observed using terahertz spectroscopy, and quantum chemical calculations were employed to analyze the vibrations. The results indicated changes in the vibrations of CL-20 before and after phase transition.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Yuefeng Gao, Sai Xu, Baojiu Chen
Summary: This study synthesized Cs2NaInCl6 nanocrystals co-doped with Sb3+ and Tb3+ ions as probes for copper ions detection in lubricating oil. The introduction of Sb3+ effectively reduced the band gap of the host material and enabled energy transfer pathway for Tb3+ emission. The doped Tb3+ ions resulted in the suppression of emission due to electron transfer. The Cs2NaInCl6: 2.5 %Sb3+, 40 %Tb3+ NCs exhibited superior sensitivity and selectivity for copper ions detection.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Yu Liu, Yue Zhang, Changyao Liu, Ce Wang, Baocai Xu, Li Zhao
Summary: A highly sensitive detection platform for heparin was developed using a cationic fluorescent dye (cresyl violet acetate) as a fluorescence probe. The platform demonstrated high selectivity towards heparin and achieved detection in both HEPES solution and serum.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Lopamudra Roy, Nivedita Pan, Susmita Mondal, Ria Ghosh, Md. Nur Hasan, Neha Bhattacharyya, Soumendra Singh, Kallol Bhattacharyya, Arpita Chattopadhyay, Samir Kumar Pal
Summary: The study focuses on the interaction between reactive oxygen species (ROS) and a spectroscopic probe called Rose Bengal (RB), encapsulated in nanoscopic sodium dodecyl sulphate (SDS) micelles and entrapped in microscopic nylon 66 solid matrix. The research demonstrates efficient interaction between ROS and RB-SDS, and investigates the mechanism of hydroxyl radicals generation. Based on these findings, a prototype device utilizing RB embedded in a nylon thin film for quantification of ROS in extracellular fluids and food materials was developed.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Xiaosong Sun, Qihao Cui, Wenyue Dong, Qian Duan, Teng Fei
Summary: Conjugated porous polymers (CPPs) are promising sensing materials and their application in aqueous media is limited. In this study, we synthesized CPPs with porous structure and prepared nanoparticles, enabling efficient photoluminescence sensing of nitroaromatic explosives in aqueous phase.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Spectroscopy
Maria Cristina Caggiani, Germana Barone, Paolo Mazzoleni
Summary: Raman spectroscopy is commonly used for studying glassy materials in cultural heritage, but it is more difficult to interpret the spectra and apply the technique with portable instruments. In contrast, diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) can be used in archaeometric investigations as it is portable and non-invasive. However, there is limited application of this technique to historical glasses. This exploratory work demonstrates the potential of DRIFTS, in combination with portable X-ray Fluorescence (pXRF) and EDS microanalyses, for studying the composition and alteration of glass samples in cultural heritage.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)