Article
Food Science & Technology
Isabel Cristina de Santana Alves Tolentino, Josane Cardim de Jesus, Daniele Gomes Conceicao, Rebeca Rodrigues Vieira Onelli, Lucas Caiafa Cardoso Reis, Leandro Soares Santos, Sibelli Passini Barbosa Ferra
Summary: Mid-infrared spectroscopy and chemometric techniques were used to verify the authenticity of commercial prato cheeses. Analysis of the samples showed that 16 commercial samples overlapped with mozzarella cheese and 4 overlapped with prato cheese. Discriminant methods yielded classification rates above 84%. These techniques efficiently differentiated and classified the samples, indicating that commercial samples were likely not authentic prato cheese.
INTERNATIONAL DAIRY JOURNAL
(2023)
Article
Spectroscopy
Mahsa Mohammadi, Mohammadreza Khanmohammadi Khorrami, Hamid Vatanparast, Hossein Ghasemzadeh
Summary: An analytical method using ATR-FTIR spectroscopy and chemometric methods was proposed for the quantitative determination of surface tension of anionic surfactant solutions in the presence of hydrophilic silica nanoparticles. The addition of silica nanoparticles with different sizes significantly alters the surface tension behavior of anionic surfactant solutions. Support vector machine regression and partial least squares regression were used for surface tension prediction, with SVM-R found to be reliable due to the complexity of the samples.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Multidisciplinary Sciences
Helina Heino, Lassi Rieppo, Tuija Mannisto, Mikko J. Sillanpaa, Vesa Mantynen, Simo Saarakkala
Summary: ATR-FTIR spectroscopy coupled with machine learning-based PLS-DA was used to study the detection of SARS-CoV-2 from nasopharyngeal swab samples. The results indicate that the ATR-FTIR spectrum contains specific information for SARS-CoV-2 infection, but the diagnostic performance is moderate.
SCIENTIFIC REPORTS
(2022)
Article
Biochemistry & Molecular Biology
Dilek Yonar, Mete Severcan, Rafig Gurbanov, Abdulsamet Sandal, Ulku Yilmaz, Salih Emri, Feride Severcan
Summary: This study successfully developed a new approach for the characterization and diagnosis of malignant pleural mesothelioma (MPM) among lung diseases using Fourier transform infrared spectroscopy (FTIR) coupled with multivariate analysis. The results showed that the MPM group could be successfully differentiated from healthy, benign exudative effusion, and lung cancer groups based on the changes in lipid biosynthesis and nucleic acids levels in the malignant serum samples.
BIOCHIMICA ET BIOPHYSICA ACTA-MOLECULAR BASIS OF DISEASE
(2022)
Article
Engineering, Chemical
Atiqah Ab Aziz, Veenesh Selvaratnam, Yasmin Fadzlin Binti Ahmad Fikri, Muhamad Shirwan Abdullah Sani, Tunku Kamarul
Summary: The present study aimed to develop a rapid non-destructive detection method for early diagnosis of osteoarthritis (OA) through evaluating infrared spectroscopy combined chemometrics. The results showed that ATR-FTIR spectroscopy combined with chemometrics analysis could detect spectral biomarkers for discriminating OA patients, providing a rapid and cost-effective blood test for early diagnosis of human OA.
Article
Optics
S. Farid, M. A. Kasem, A. F. Zedan, G. G. Mohamed, A. El-Hussein
Summary: This study investigated the use of non-destructive techniques like FTIR and AFM in discerning different papers and determining the chronological sequence of writing inks, finding that these techniques can be combined with VSC. Principal component analysis demonstrated satisfactory discrimination capacity between the 12 papers in the FTIR region of 830-1185 cm(-1).
OPTICS AND LASER TECHNOLOGY
(2021)
Article
Automation & Control Systems
Irena Zupanic Pajnic, Tamara Leskovar, Ivan Jerman
Summary: Spectroscopy of skeletal tissues is widely used in various fields, but the heterogeneity of skeletal tissues complicates the interpretation of spectroscopy results. This study compared the chemometric indices of teeth and bones, different bone classes, and skeletal elements within a bone class, and attempted to correlate these differences with functional or structural differences. The findings highlight the importance of intra-skeleton variability in spectroscopy studies of skeletal tissues.
JOURNAL OF CHEMOMETRICS
(2022)
Article
Soil Science
R. K. Haghi, E. Perez-Fernandez, A. H. J. Robertson
Summary: This study evaluated the performance of near-infrared and mid-infrared spectroscopic techniques in predicting soil properties, showing that regression models with FTIR data outperform those using NIR data for all studied soil properties.
Article
Automation & Control Systems
Christoforos Chrimatopoulos, Grigorios Chrimatopoulos, Vasilios Sakkas
Summary: This study used Fourier transform infrared spectroscopy to analyze the variations of oral samples from high-level athletes under different exercise intensities, and found that the vibration of thiocyanate is associated with exercise intensity. It suggests that monitoring thiocyanate can serve as a promising indicator for noninvasive monitoring of athletes' training.
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
(2023)
Article
Chemistry, Analytical
Wenqing Zhang, Liang Yin, Ming Zhao, Zhaoyuan Tan, Guiyang Li
Summary: A novel method using ATR-FTIR spectroscopy for rapid quality verification of epoxy resin prepolymers is proposed. The SIMCA method successfully screens out abnormal products, providing a fast and effective quality detection approach for industrial production.
MICROCHEMICAL JOURNAL
(2021)
Article
Spectroscopy
Cristina Cano-Trujillo, Carmen Garcia-Ruiz, Fernando E. Ortega-Ojeda, Gemma Montalvo
Summary: Blood is analyzed with ATR FTIR spectroscopy combined with OPLS-DA models to differentiate it from other substances at crime scenes. The study successfully distinguishes blood from environmental interfering substances regardless of the substrate it is on and identifies bloodstains according to the substrate they were deposited on. These findings provide a proof-of-concept for distinguishing bloodstains from interfering substances on common crime scene substrates.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Multidisciplinary Sciences
H. Lee, D. Lee, J. M. Seo
Summary: This study collected and analyzed paint from an actual site of ship collision, comparing paint traces of the damaged ship and the ship suspected to be responsible for the collision through various chemical analysis methods. The ship responsible for the collision could be identified by performing a comparative analysis of the extracted paint.
SCIENTIFIC REPORTS
(2021)
Article
Multidisciplinary Sciences
Rosario Javier-Astete, Jessenia Melo, Jorge Jimenez-Davalos, Gaston Zolla
Summary: This study validated a model for the classification of wood species and a universal model for the rapid determination of cellulose, hemicellulose, and lignin using FTIR spectroscopy coupled with chemometrics. The results showed that the full spectra can be used to differentiate different species and identify infrared peaks associated with cellulose, hemicellulose, and lignin. In addition, the full spectra helped build a three species universal model for quantifying the principal wood chemical components. Therefore, the study demonstrated that FTIR-ATR, together with chemometrics, is a reliable method for discriminating wood species and determining wood chemical composition.
SCIENTIFIC REPORTS
(2023)
Article
Chemistry, Analytical
Cagri Cavdaroglu, Banu Ozen
Summary: Spectroscopic methods were used to predict quality and chemical parameters of vinegar processing, with accurate models obtained for most quality parameters through a combination of two spectroscopic datasets.
MICROCHEMICAL JOURNAL
(2021)
Article
Engineering, Multidisciplinary
Zhiwei Li, Bo Li, Zhizhong Zhao, Weizhong Ma, Wenju Li, Jiadong Wang
Summary: This study aims to develop a feasible alternative method for quality inspection of polycarboxylate superplasticizers (PCE), by performing spectra collection, feature extraction, and cluster analysis. By introducing a new similarity calculation method, better classification results and generalization ability are achieved.
MATHEMATICAL PROBLEMS IN ENGINEERING
(2021)
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)