Review
Chemistry, Multidisciplinary
Krzysztof B. Bec, Justyna Grabska, Christian W. Huck
Summary: In recent years, the technology of miniaturized near-infrared spectrometers has advanced significantly and had a revolutionary impact in various fields. These instruments employ diverse technological solutions, and continuous progress leads to the emergence of new devices in the market. The current focus in analytical NIR spectroscopy is on evaluating the devices and methods, as well as systematically characterizing their performance profiles.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Multidisciplinary Sciences
Wenjie Deng, Zilong Zheng, Jingzhen Li, Rongkun Zhou, Xiaoqing Chen, Dehui Zhang, Yue Lu, Chongwu Wang, Congya You, Songyu Li, Ling Sun, Yi Wu, Xuhong Li, Boxing An, Zheng Liu, Qi Jie Wang, Xiangfeng Duan, Yongzhe Zhang
Summary: This study presents the design of a super miniaturized near-infrared spectrometer based on two-dimensional vdWH, which achieves electrically tunable infrared photoresponse by introducing metal atoms. The design features a ultra-small device footprint and simple fabrication process, offering a promising solution for on-chip infrared spectroscopy.
NATURE COMMUNICATIONS
(2022)
Article
Optics
Paul Kaufmann, Helen M. Chrzanowski, Aron Vanselow, Sven Ramelow
Summary: Mid-infrared spectroscopy is an important analytical technique that can be used for a variety of materials. However, there are technical limitations in this field, such as the large noise in mid-IR detectors and the complexity and cost of bright, broadband mid-IR light sources. In this study, we bypass these limitations by using non-degenerate, broadband photon pairs from spontaneous parametric down-conversion in a nonlinear interferometer. We demonstrate spectroscopy in the mid-IR using only a visible solid-state laser and a commercial near-infrared grating spectrometer. The results show short integration times, high signal-to-noise ratios, and high spectral resolution.
Article
Chemistry, Analytical
Giulia Gorla, Alberto Ferrer, Barbara Giussani
Summary: This study aims to explore the practice and steps of process monitoring using handheld NIR data, and investigate the main aspects of BE alcohol fermentation. By combining different statistical tools, information can be extracted from the data and the link between them and chemical and physical changes can be identified. The results of the study are significant for further fermentation monitoring and endpoint determination.
ANALYTICA CHIMICA ACTA
(2023)
Article
Agriculture, Dairy & Animal Science
Hulya Yaman, Didem P. Aykas, Rafael Jimenez-Flores, Luis E. Rodriguez-Saona
Summary: A rapid and simple method based on vibrational spectroscopic techniques was developed to understand biochemical changes during the ripening process of Turkish white cheese and generate predictive algorithms. The models showed good correlation between predicted values by vibrational spectroscopy and reference values, providing real-time tools for addressing deviations in cheese manufacturing. Portable vibrational spectroscopy units can be used for rapid in-situ monitoring of cheese quality during aging.
JOURNAL OF DAIRY SCIENCE
(2022)
Article
Immunology
Kalichamy Alagarasu, Poonam Patil, Meenakshi Kaushik, Deepika Chowdhury, Rajesh K. Joshi, Harsha V. Hegde, Mahadeo B. Kakade, Sugeerappa Laxmanappa Hoti, Sarah Cherian, Deepti Parashar
Summary: This study conducted in vitro antiviral screening of plant extracts and purified compounds for their activities against dengue and chikungunya viruses. The extracts from Plumeria alba, Ancistrocladus heyneanus, Bacopa monnieri, and Cucurbita maxima showed activity against both viruses, while the extract from Vitex negundo only showed activity against dengue virus. Among the purified compounds, anacardic acid, chloroquinone, and methyl gallate showed activity against dengue virus, and only methyl gallate had activity against chikungunya virus. These findings provide potential candidates for the development of phytopharmaceutical drugs against dengue and chikungunya.
FRONTIERS IN CELLULAR AND INFECTION MICROBIOLOGY
(2022)
Article
Spectroscopy
Sophia Mayr, Krzysztof B. Bec, Justyna Grabska, Verena Wiedemair, Verena Puergy, Michael A. Popp, Guenther K. Bonn, Christian W. Huck
Summary: The study evaluated the applicability and analytical performance of three miniaturized NIR spectrometers and two benchtop instruments, finding that miniaturized NIR spectrometers can offer prediction performance at the level of benchtop instruments with Gaussian process regression (GPR) and artificial neural network (ANN) models performing superior. Additionally, there was a lower accuracy penalty when analyzing native samples with GPR and ANN prediction.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Agriculture, Dairy & Animal Science
Dolores Perez-Marin, Begona de la Roza-Delgado, J. Antonio Entrenas, Mar Garrido-Cuevas, Ana Garrido-Varo
Summary: This study evaluated the use of portable near-infrared devices for predicting the quality of total mixed ration (TMR) in dairy farms. The results showed that the portable instruments displayed similar accuracy to the benchtop instrument, indicating their potential for predicting TMR quality at the farm level.
JOURNAL OF DAIRY SCIENCE
(2022)
Article
Chemistry, Multidisciplinary
Sumaporn Kasemsumran, Waraporn Apiwatanapiwat, Krairuek Ngowsuwan, Sunee Jungtheerapanich
Summary: The study demonstrated the use of near-infrared spectroscopy for rapid and non-destructive analysis of Andrographis paniculata, allowing for classification and determination of active ingredients content. The method proved to be efficient and accurate, providing valuable information for pharmaceutical factories.
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)
Review
Biochemistry & Molecular Biology
Nasser A. Hassan, Asma K. Alshamari, Allam A. Hassan, Mohamed G. Elharrif, Abdullah M. Alhajri, Mohammed Sattam, Reham R. Khattab
Summary: Alzheimer's disease is a chronic dysfunction of neurons in the brain that leads to dementia. It is characterized by gradual mental decline, abnormal cognitive functioning, personality changes, diminished verbal fluency, and speech impairment. While there is no cure for AD, its progression can be delayed using FDA-approved drugs. An extensive literature survey and clinical trials have been conducted to explore various strategies for preventing the disease.
Article
Agriculture, Multidisciplinary
Cristina Cecchini, Francesca Antonucci, Corrado Costa, Alessandra Marti, Paolo Menesatti
Summary: This study utilized near-infrared spectroscopy to evaluate the quality of durum wheat semolina, finding that protein content correlated best with spectral data and GlutoPeak indices also exhibited good correlation with spectral data. Better modeling efficiency was obtained using the low-cost swNIR technology.
JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE
(2021)
Article
Chemistry, Multidisciplinary
Shen Xing, Vasileios Christos Nikolis, Jonas Kublitski, Erjuan Guo, Xiangkun Jia, Yazhong Wang, Donato Spoltore, Koen Vandewal, Hans Kleemann, Johannes Benduhn, Karl Leo
Summary: This paper introduces a new concept for narrowband organic photodetection by combining a transmission cavity structure with organic absorbers. This method enables finely wavelength-selective photoresponse with ultra-high specific detectivity and a large dynamic range.
ADVANCED MATERIALS
(2021)
Article
Instruments & Instrumentation
Itzel Reyna-Morales, Jesus Garduno-Mejia, Israel Rocha-Mendoza, Martha Rosete-Aguilar, Naser Qureshi
Summary: We have developed a cost-effective spectrometer for femtosecond pulse characterization in the Near Infrared region using a Silicon-based Charge-Coupled Device (Si-CCD) sensor in two different configurations. The spectrometer achieved a resolution of 0.6 +/- 0.1 nm and a threshold peak intensity of 2 x 10(6) W/cm(2) using the Two-Photon Absorption effect in the Si-CCD sensor. We also analyzed the nonlinear response of the spectrometer and presented criteria to prevent response saturation.
REVIEW OF SCIENTIFIC INSTRUMENTS
(2023)
Review
Plant Sciences
Han Yu, Ting-na Li, Qian Ran, Qin-wan Huang, Jin Wang
Summary: SCK, a traditional Chinese medicinal plant, has been used for detoxification, defervescence, detumescence, and antiphlogosis historically. Research shows that SCK and its herbal medicines contain multiple active components that may have potential therapeutic effects on various diseases, highlighting the need for further studies on pharmacology, pharmacokinetics, and quality control.
JOURNAL OF ETHNOPHARMACOLOGY
(2021)
Article
Plant Sciences
Sophia Mayr, Simon Strasser, Christian G. Kirchler, Florian Meischl, Stefan Stuppner, Krzysztof B. Bec, Justyna Grabska, Sonja Sturm, Hermann Stuppner, Michael A. Popp, Gunther K. Bonn, Christian W. Huck
Summary: Near-infrared spectroscopy was used to analyze the content of silymarin and individual flavonolignans in milk thistle seeds. The benchtop device NIRFlex N-500 showed the best performance, while quantum chemical simulation of spectra helped to understand the impact of chemical and physical properties on analysis. Miniaturized near-infrared spectroscopy proved to be capable of rapid and nondestructive quantification of silymarin and flavonolignans in whole milk thistle seeds.
Article
Biochemistry & Molecular Biology
Christoph Kappacher, Benedikt Truebenbacher, Klemens Losso, Matthias Rainer, Guenther K. Bonn, Christian W. Huck
Summary: This study investigated the classification and quality monitoring of different types of truffles using different near-infrared devices. The results showed that these devices can differentiate between different types of truffles and provide quality assurance and prediction. This is an accurate, fast, non-destructive, and reliable method for consumers.
Article
Spectroscopy
A. Brunner, V. M. Schmidt, B. Zelger, C. Woess, R. Arora, P. Zelger, C. W. Huck, J. Pallua
Summary: This study utilized hyperspectral imaging (HSI) to quantify inflammatory cells in tissue specimens of forensic patients with myocarditis. The results showed that HSI had comparable accuracy and reliability in assessing the quantity and spatial distribution of positive cells compared to visual assessment (VA) and conventional digital image analysis (DIA).
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Review
Spectroscopy
Krzysztof B. Bec, Justyna Grabska, Christian W. Huck
Summary: Quantum mechanical calculations have been widely used in mid-infrared (MIR) and Raman spectroscopy. However, limitations in near-infrared (NIR) spectroscopy and computational chemistry have hindered their integration. Recent advancements in theoretical methods have made it possible to calculate NIR spectra of various molecules, including long-chain fatty acids. In silico NIR spectroscopy provides a better understanding of the complex lineshape and enables access to rich spectral information, which is crucial for fundamental research and routine analysis. This review summarizes the recent achievements in this emerging field and demonstrates the simulated NIR spectra of molecules like long-chain fatty acids and polymers, which offer innovative support in applications.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Review
Food Science & Technology
Krzysztof B. Bec, Justyna Grabska, Christian W. Huck
Summary: The ongoing miniaturization of NIR spectrometers provides significant benefits in the field of food analysis. Various factors affect the performance of these devices in different analytical scenarios. Systematic evaluation studies are being conducted to assess the accuracy and reliability of miniaturized spectrometers based on different technologies. Advanced calibration methods and quantum-mechanical simulation improve the performance and information gathered from NIR spectra. A data-fusion framework enables intelligent design of future NIR analyses using miniaturized instruments in the complex matrix of food samples.
Article
Chemistry, Analytical
Matthias Harder, Rania Bakry, Felix Lackner, Paul Mayer, Christoph Kappacher, Christoph Griesser, Sandro Neuner, Christian W. Huck, Guenther K. Bonn, Matthias Rainer
Summary: In this study, a new crosslinker, 3,3'-(hexane-1,6-diyl)bis(1-vinylimidazolium) bromide [C-6-bis-VIM] [Br], was synthesized and used to prepare vinylimidazole polymers for solid-phase extraction (SPE). The results showed that the [C-6-bis-VIM] [Br]-crosslinked polymers exhibited significantly higher extraction recoveries for most analytes compared to other crosslinkers. The [C-6-bis-VIM] [Br] crosslinked polymer was also found to be reusable and can achieve maximum recoveries ranging from 84.1-92.5%.
Review
Food Science & Technology
Justyna Grabska, Krzysztof B. Bec, Nami Ueno, Christian W. Huck
Summary: Spectroscopic methods, specifically in the near-infrared (NIR) and visible (Vis) regions, have shown great potential in assessing and optimizing the quality parameters of apples. These methods can evaluate external and internal characteristics, detect defects, measure nutrient content, and assess authenticity and origin. The use of optical sensors and portable instruments can enhance apple crop quality, improve production efficiency, and meet consumer demands.
Article
Spectroscopy
Miros law Antoni Czarnecki, Krzysztof B. Bec, Justyna Grabska, Christian W. Huck, Sylwester Mazurek, Kazimierz Orzechowski
Summary: This work provides new insight into the state of water in a series of aliphatic ketones. Our results reveal that the conformational flexibility of aliphatic chains in linear ketones is the main reason for poor solubility of water, while the higher solubility of water in cyclic ketones allows for the formation of water clusters.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Chemistry, Analytical
Tobias Schlappack, Christoph Kappacher, Michela Demetz, Thomas Jakschitz, Guenther K. Bonn, Christian W. W. Huck, Matthias Rainer
Summary: Over the years, e-liquids have gained popularity due to a wide range of flavors and nicotine strengths. However, recent studies have found that the addition of sweeteners, such as sucralose, to e-liquids may lead to the formation of highly toxic chlorinated compounds. The legal situation regarding e-liquids lacks clear restrictions, making the establishment of fast and reliable methods for detecting sucralose crucial. This study screened 100 commercially available e-liquids for sucralose using ambient mass spectrometry and near-infrared spectroscopy, and found that both methods are suitable for quantifying sucralose in e-liquids, providing important contributions to consumer protection and labeling clarity.
ANALYTICAL METHODS
(2023)
Article
Biochemistry & Molecular Biology
Vanessa Moll, Krzysztof B. Bec, Justyna Grabska, Christian W. Huck
Summary: This study investigated the interaction of water with different polymers using near-infrared spectroscopy. The results showed that changes in the near-infrared spectrum of water were observed even in the case of interaction with highly hydrophobic polymers. The spectral patterns of water in the presence of different polymers were found to be dissimilar between the two major water bands in the near-infrared spectrum.
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)
