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Machine Learning algorithms for in-line monitoring during Yeast Fermentations based on Raman Spectroscopy Vib. Spectrosc. (IF 2.5) Pub Date : 2024-03-12 Debiao Wu, Yaying Xu, Feng Xu, Minghao Shao, Mingzhi Huang
Given the intricacies and nonlinearity inherent to industrial fermentation systems, the application of process analytical technology presents considerable benefits for the direct, real-time monitoring, control, and assessment of synthetic processes. In this study, we introduce an in-line monitoring approach utilizing Raman spectroscopy for ethanol production by Saccharomyces cerevisiae. Initially,
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Escherichia coli Research on Raman Measurement Mechanism and diagnostic Model Vib. Spectrosc. (IF 2.5) Pub Date : 2024-03-12 Dongyu Ma, Xiaoyu Zhao, Chunjie Wang, Haoxuan Li, Yue Zhao, Lijing Cai, Jinming Liu, Liang Tong
Escherichia coli (E. coli) is one of the most important pathogenic bacteria causing poultry diseases, characterized by a wide distribution range, rapid spread, and high mortality rate. Early diagnosis of E. coli in poultry feces provides the possibility for targeted treatment and rapid recovery of diseased poultry, and more importantly, prevents the rapid spread of pathogens among densely bred poultry
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Spectralomics – Towards a holistic adaptation of label free spectroscopy Vib. Spectrosc. (IF 2.5) Pub Date : 2024-03-12 Hugh J. Byrne
Vibrational spectroscopy, largely based on infrared absorption and Raman scattering techniques, is much vaunted as a label free approach, delivering a high content, holistic characterisation of a sample, with demonstrable applications in a broad range of fields, from process analytical technologies and preclinical drug screening, to disease diagnostics, therapeutics, prognostics and personalised medicine
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Blood collection tube components interference on spectral signatures of chronic kidney disease probed by micro-reflectance Fourier-transform infrared spectroscopy on serum Vib. Spectrosc. (IF 2.5) Pub Date : 2024-03-08 Jéssica Verônica da Silva, Gabrielle Teodoro Nepomuceno, André Mourão Batista, Glaucia Raquel Luciano da Veiga, Fernando Luiz Affonso Fonseca, Marcela Sorelli Carneiro-Ramos, Herculano da Silva Martinho
Kidney disease is a worldwide public health problem, affecting between 8%-16% of the global population. Chronic kidney disease is a silent disease and its detection is often late, making the treatment difficult. Actual diagnosis is based on dosage of canonical renal biomarkers like creatinine and observation of proteinuria/albuminuria which would be relatively insensitive to disease progression which
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Calibration transfer between different spectrometers by wavelength correspondence Vib. Spectrosc. (IF 2.5) Pub Date : 2024-02-27 Erik Tengstrand, Lars Erik Solberg, Katinka Dankel, Tiril Aurora Lintvedt, Nils Kristian Afseth, Jens Petter Wold
In this paper we present a method for transferring calibrations between different spectrometers based on assigning wavelength correspondence. It has been tested for near-infrared (NIR) and Raman spectroscopic instruments, and three examples are included in the paper. The calibration transfer is done in three steps: first wavelength correspondence is established. Second, PLS models are built and tuned
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Point-and-shoot: portable Raman and SERS detection of organic gunshot residue analytes Vib. Spectrosc. (IF 2.5) Pub Date : 2024-02-24 Taylor Shafirovich, Dariush Aligholizadeh, Mansoor Johnson, Ellen Hondrogiannis, Mary Sajini Devadas
Raman spectroscopy is one of many tools available to verify the molecular composition of an analyte. Due to its non-destructive nature and its ability to accurately discern differences in closely related molecular structures, it has become invaluable in many fields, including its potential for forensic gunshot residue detection. Firearm-related fatalities in the United States continue to rise and many
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Spontaneous Raman bioimaging – Looking to 2050 Vib. Spectrosc. (IF 2.5) Pub Date : 2024-02-23 Alison J. Hobro, Nicholas I. Smith
Raman imaging has been employed for a wide range of biological sample analyses, is often chosen for its non-invasiveness, and ability to provide rich information from samples with minimal preparation requirements. In this paper we give a brief overview of the applications of spontaneous Raman imaging in bioanalysis and then consider what Raman imaging in 2050 might look like. We discuss the state of
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Optimization of shell-isolated nanoparticle-enhanced Raman spectroscopy experiments with silver core-silica shell nanoparticles Vib. Spectrosc. (IF 2.5) Pub Date : 2024-02-21 Tatjana Charkova, Ilja Ignatjev
The synthesized silver nanoparticles (60–70 nm) coated with a thin (5–6 nm) shell of silicon dioxide were applied for the analysis of popular 4-mercaptobenzoic acid (4-MBA) self-assembled monolayer by the shell-isolated nanoparticle-enhanced Raman spectroscopy (SHINERS). The detailed synthesis, purification of the nanoparticles, and optimizing washing procedure are provided. The obtained results are
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Near-infrared spectral interval screening based on hierarchical variables clustering and group SCAD in multivariate calibration Vib. Spectrosc. (IF 2.5) Pub Date : 2024-02-17 Chen-Hao Huang
Spectral interval screening is a critical step in multivariate calibration, which can improve the model predictive performance and data interpretation. In this study, a novel method for interval selection is proposed based on a hierarchical variables clustering and group smoothly clipped absolute deviation(group SCAD) in combination with partial least squares(VCG-PLS). The proposed method makes use
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Generic prediction model of moisture content for maize kernels by combing spectral and color data through hyperspectral imaging Vib. Spectrosc. (IF 2.5) Pub Date : 2024-02-08 Mengmeng Qiao, Guoyi Xia, Yang Xu, Tao Cui, Chenlong Fan, Yibo Li, Shaoyun Han, Jun Qian
Moisture content (MC) is an important index to measure the quality of maize kernels. This study aims to construct a generic prediction model and optimize the characteristic variables for efficiently predicting the MC of maize kernels across various varieties. Visible/near-infrared hyperspectral imaging (HSI) within the wavelength range of 374.98 - 1038.79 nm is employed. The 270 samples containing
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Electrochemically assisted SERS sensing of adenosine triphosphate using a carbon microelectrode with composite plasmonic nanostructures Vib. Spectrosc. (IF 2.5) Pub Date : 2024-02-02 Haifeng Zhou, Janina Kneipp
The detection of adenosine triphosphate (ATP) is crucial in several biomedical applications. Here, we propose an electro-optical sensor for ATP that functions without optical labels or recognition unit based on the electrochemistry-assisted formation of ATP-Ag+ complexes and subsequent plasmon-supported generation of the intrinsic surface-enhanced Raman scattering (SERS) spectrum of ATP. Using bimetal-functionalized
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IR intensities for out-of-plane vibrations at planar transition state structures: The NX3 series Vib. Spectrosc. (IF 2.5) Pub Date : 2024-02-01 Wagner Eduardo Richter, Leonardo José Duarte
The ground state pyramidal geometries of NX (X = H, F, Cl, Br) molecules might undergo a process called “pyramidal inversion”, with a planar transition state structure connecting two identical but oppositely oriented pyramids. In view of recent findings regarding infrared intensities of planar molecules as well as IR intensities of transition states structures, which have demonstrated how the atomic
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Chemical and microbial characterization of cyanobacterial extracellular polymeric substances (EPS) in biofilm extracts from Hathi Khana, An ancient monument in Agra, Taj complex Vib. Spectrosc. (IF 2.5) Pub Date : 2024-02-01 Deepankar Banerjee, Sabyasachi Sarkar, Rajendra Yadav, M.R. Singh
The Taj Mahal and its complex are iconic symbols of India’s cultural heritage, and preserving their appearance and structural integrity is of utmost importance. The discoloration of ancient heritage structures caused by microbial soiling, particularly the action of cyanobacteria, green algae, and lichens, and the role of Extracellular Polymeric Substances (EPS) secreted by these microorganisms, is
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Evaluating the detection of cocaine and its impurities concealed inside fruit- and vegetable- food products using handheld spatially offset Raman spectroscopy Vib. Spectrosc. (IF 2.5) Pub Date : 2024-02-01 Sulaf Assi, Ismail Abbas, Leung Tang, Sarah Rowlands, Megan Wilson, Thomas Coombs, Basel Arafat, Mana Al-Hamid, Dhiya Al-Jumeily
This study investigated the use of handheld spatially offset Raman spectroscopy for the identification of drugs concealed within fruit and vegetable food products, which is a common method of drug trafficking in busy environments such as airports. Handheld Raman spectroscopy is advantageous due to its mobility, speed, and chemical specificity for drug analysis. In this study, spatially offset Raman
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Use of near-infrared spectroscopy for the online monitoring of natural gas composition (hydrocarbons, water and CO2 content) at high pressure Vib. Spectrosc. (IF 2.5) Pub Date : 2024-01-19 Larissa F. Torres, Moema A. Damascena, Matheus M.A. Alves, Klebson S. Santos, Elton Franceschi, Cláudio Dariva, Vinicius A. Barros, Darley C. Melo, Gustavo R. Borges
The natural gas production from Brazilian pre-salt fields imposed new challenges for petrochemical industry. Actual treatment facilities are not adequate for this new scenario and studies have been conducted to apply new adsorbents materials and membranes for water and CO2 removal from natural gas at high pressures. To better develop such investigations, sensors for on-line monitoring of natural gas
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A rapid determination of wheat flours components based on near infrared spectroscopy and chemometrics Vib. Spectrosc. (IF 2.5) Pub Date : 2024-01-10 Wanzhu Zhou, Yongqian Lei, Qidong Zhou, Jingwei Xu, He Xun, Chunhua Xu
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Prediction of physical attributes in fresh grapevine (Vitis vinifera L.) organs using infrared spectroscopy and chemometrics Vib. Spectrosc. (IF 2.5) Pub Date : 2024-01-09 Elizma van Wyngaard, Erna Blancquaert, Hélène Nieuwoudt, Jose Luis Aleixandre-Tudo
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Rapid determination of alprazolam in gin tonic cocktails based on the coupling of IR spectroscopy and chemometrics: A feasibility study Vib. Spectrosc. (IF 2.5) Pub Date : 2024-01-12 Alessandra Biancolillo, Federico Puca, Martina Foschi, Angelo Antonio D’Archivio
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Water dimer in CCl4 investigated by in-situ infrared spectroscopy and computational analysis Vib. Spectrosc. (IF 2.5) Pub Date : 2024-01-09 Jaejin Lee, Adam H. Turner, Soo Ryeon Ryu, Yung Sam Kim, Doseok Kim
The low solubility of solute molecules in a nonpolar solvent and the weak interactions between solute and solvent molecules can be utilized to study isolated solute molecules. The in-situ inclusion process of H2O and D2O in CCl4 was observed by infrared absorption spectroscopy. These in-situ spectra showed deviations from the monomer spectrum over time attributed to the formation of water dimers. The
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Rapid and high accurate identification of Escherichia coli active and inactivated state by hyperspectral microscope imaging combing with machine learning algorithm Vib. Spectrosc. (IF 2.5) Pub Date : 2023-12-22 Chenlu Wu, Yanqing Xie, Qiang Xi, Xiangli Han, Zheng Li, Gang Li, Jing Zhao, Ming Liu
Rapid identification of the active state of foodborne bacteria is crucial for ensuring the safety and quality control of food or pharmaceutical products. In this study, a combination of hyperspectral microscope imaging (HMI) and machine learning algorithm is employed for the identification of active state of Escherichia coli (E. coli). Hyperspectral microscope images of live, 100 ℃ heat inactivation
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Qualitative and quantitative studies of multicomponent gas by CNN-KPCA-RF model Vib. Spectrosc. (IF 2.5) Pub Date : 2023-12-26 Haibo Liang, Yu Long, Gang Liu
To improve the accuracy of multi-component gas analysis in infrared spectroscopy and simplify the workflow, an infrared spectroscopy gas detection method based on an improved convolutional neural network is proposed. This method can not only identify a variety of gas categories but also finely identify the concentration of gas. To verify the model identification effect proposed in this paper, eight
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The feasibility of using ATR-FTIR spectroscopy combined with one-class support vector machine in screening turmeric powders Vib. Spectrosc. (IF 2.5) Pub Date : 2023-12-23 Joel I. Ballesteros, Len Herald V. Lim, Rheo B. Lamorena
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Enhancement of species-specific analysis for meat and bone meal by matrix fragments-related spectral fusion Vib. Spectrosc. (IF 2.5) Pub Date : 2023-12-22 Bing Gao, Qingyu Qin, Xiaodong Xu, Lujia Han, Xian Liu
In this investigation, a pioneering approach involving the fusion of matrix fragments-related spectral data was proposed to improve the underperformance observed in raw meat and bone meal (MBM) when employed for species discrimination analysis. Initially, the MBM matrix was characterized as a binary mixture comprising bone fragment (BF) and meat fragment (MF). Subsequently, the disparities in near
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Estimation of foliar glucose content of areca palm by a smartphone app and Fourier transform infrared spectroscopy based multivariate modeling Vib. Spectrosc. (IF 2.5) Pub Date : 2023-12-22 V. Arunachalam, Diksha C. Salgaonkar, Satvashil S. Devidas, Bappa Das
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Determining the geographical origin and glycogen content of oysters using portable near-infrared spectroscopy: Comparison of classification and regression approaches Vib. Spectrosc. (IF 2.5) Pub Date : 2023-12-20 Bingjian Guo, Ziwei Zou, Zheng Huang, Qianyi Wang, Jinghua Qin, Yue Guo, Min Dong, Jinbin Wei, Shihan Pan, Zhiheng Su
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Effect of vibrational resonances and dynamic polarizability on the Raman spectrum of furfural: A vibrational coupled cluster study Vib. Spectrosc. (IF 2.5) Pub Date : 2023-12-16 Nivedhitha Palanisamy, Subrata Banik
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Comparative forensic discrimination of pink lipsticks using fourier transform infra-red and Raman spectroscopy Vib. Spectrosc. (IF 2.5) Pub Date : 2023-12-13 Rowdha Abdulla Alblooshi, Rashed Humaid Alremeithi, Abdulrahman Hussain Aljannahi, Ayssar Nahlé
As a routine, lipstick is daily used by females and can easily be transferred to clothes, cups, tissue papers, and other objects. The analysis of lipsticks is a relatively new and exciting field in forensics, helping to identify suspects in criminal cases where lipstick evidence has been left at crime scenes. By matching a specific brand of lipstick to a sample, investigators can positively connect
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Quantitative analysis of pyrazinamide polymorphs in ternary mixtures by ATR-FTIR and Raman spectroscopy with multivariate calibration Vib. Spectrosc. (IF 2.5) Pub Date : 2023-12-01 Jian Zhou, Baoxi Zhang, Lixiang Gong, Kun Hu, Shiying Yang, Yang Lu
The polymorphism of drugs exists widely in solid chemical drugs. It will affect the physical and chemical properties of drugs, as well as bioavailability. So it is very necessary to establish an quantitative method to improve the quality control level of polymorphic drugs. Attenuated total reflectance-Fourier transform infrared (ATR-FTIR) and Raman spectra have been included in many countries’ pharmacopoeia
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Spectral classification analysis of recycling plastics of small household appliances based on infrared spectroscopy Vib. Spectrosc. (IF 2.5) Pub Date : 2023-12-06 Qunbiao Wu, Jiachao Luo, Haifeng Fang, Defang He, Tao Liang
The recycling of plastics from small household appliances is of great significance in improving the environment and addressing resource shortages, and has gradually become a focus of attention in various countries. Firstly, spectra were collected from samples with different colors, oxidation levels, and flame retardants. It was found that samples with different colors and oxidation levels exhibited
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Machine learning driven portable Vis-SWNIR spectrophotometer for non-destructive classification of raw tomatoes based on lycopene content Vib. Spectrosc. (IF 2.5) Pub Date : 2023-12-02 Arun Sharma, Ritesh Kumar, Nishant Kumar, Vikas Saxena
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Explanation and prediction for the product of trehalose dihydrate selective dehydration process using mid-frequency Raman difference spectra Vib. Spectrosc. (IF 2.5) Pub Date : 2023-11-30 Yingjie Fan, Rongrong Xue, Fenghua Chen
Explanation and prediction for the product of trehalose dihydrate dehydration process was realized in this work. β form is the thermodynamic dehydration product of trehalose dihydrate. And α form is the kinetic dehydration product of trehalose dihydrate, which was analyzed by low-frequency Raman spectra, mid-frequency Raman difference spectra and IR difference spectra, and the analysis results confirmed
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Noninvasive in vivo application of confocal Raman spectroscopy in identifying age-related biochemical changes in human stratum corneum and epidermis Vib. Spectrosc. (IF 2.5) Pub Date : 2023-11-30 Julia Marinzeck de Alcantara Abdala, Fernanda Ricci Lemos, Ritiane Modesto de Almeida, Vamshi Krishna Tippavajhala, Gustavo Carlos da Silva, Lázaro Pinto Medeiros Neto, Priscila Pereira Fávero, Airton Abrahão Martin
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The research on the molecular spectroscopic recognition mechanism of microplastics in typical agricultural media Vib. Spectrosc. (IF 2.5) Pub Date : 2023-11-29 Xiaodong Xu, Qianya Liu, Huimin Zhang, Lujia Han, Xian Liu
To study the identification mechanism of microplastics in agricultural environmental media by molecular spectroscopy, two typical media, soil and fishmeal, were selected for this study. Three common microplastics, PE, PP, and PS, were used as research objects. Near-infrared (NIR) and mid-infrared (MIR) spectroscopy combined with chemometric methods were used to explore microplastics' identification
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Raman spectroscopy investigation on amorphous polyetherketoneketone (PEKK) Vib. Spectrosc. (IF 2.5) Pub Date : 2023-11-22 Karl Delbé, France Chabert
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Sensitive detection of trilobatin in tea beverages based on hydroxy-functionalized Ag@COF SERS substrate Vib. Spectrosc. (IF 2.5) Pub Date : 2023-11-25 Weinan Guan, Guoqing Chen, Zichen Yang, Taiqun Yang, Chaoqun Ma, Lei Li, Hui Gao, Chun Zhu, Zichen Cai, Yan Zhou, Wei Zhang, Xin Li
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MSNNet: Multi-scale-abled networks with multi-groups channel attention for vibrational spectrum matching Vib. Spectrosc. (IF 2.5) Pub Date : 2023-11-21 Youpeng Fan, Yongchun Fang
In recent years, deep learning methods have exhibited superior performance in many applications in vibrational spectroscopy especially compared with conventional machine learning methods such as Support Vector Machine (SVM) and Partial Least Squares (PLS). On the other hand, almost all of these methods employ such as LeNet and ResNet as their backbones which are not designed for processing spectra
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Local structure of hydrated nanocrystalline films of the proton conductor BaZr1-xScxO3-x/2 studied by infrared spectroscopy Vib. Spectrosc. (IF 2.5) Pub Date : 2023-11-24 Elena Naumovska, Gabriel Kofi Nzulu, Laura Mazzei, Arnaud Le Febvrier, Kristina Komander, Martin Magnuson, Max Wolff, Per Eklund, Maths Karlsson
We report results from a study of the local structure of hydrated nanocrystalline 2 μm films of the well known proton conductor BaZr1-xScxO3-x/2 with x = 0.45, 0.54 and 0.64, using infrared (IR) spectroscopy. The films were prepared by magnetron sputtering. Analysis of the IR spectra focused on the O–H stretching region (2000—3700 cm-1), which reveals the presence of several distinct O–H stretching
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Application of 13CH4 double model online analysis method based on Fourier Transform Infrared Spectroscopy in energy exploration Vib. Spectrosc. (IF 2.5) Pub Date : 2023-11-22 Bin Wang, Xiaojun Tang, Jinhui Deng, Yuanying Gan, Xiaoshan Li, Feng Zhang, Youshui Lu
In the last decades, the substantial demands for 13CH4 detection in oil, natural gas, and geological prospecting have been increasing. Among the commonly used gas detection methods, Fourier Transform Infrared Spectroscopy has the advantages of a short detection cycle and simultaneous detection of many gas components, but it has not been realized for the online analysis of 13CH4. In this paper, we propose
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FT-IR analysis of tilapia fillets: Developing PLS models for the prediction of storage days, aerobic plate count, and lactobacilli Vib. Spectrosc. (IF 2.5) Pub Date : 2023-11-17 Luis Ramiro Caso Vargas, Karen Aguilar Notario, Héctor Ruiz Espinosa, Raul Delgado Macuil, Hervey Rodríguez González, Amado Enrique Navarro Frómeta, Leslie Susana Arcila Lozano
Chemometric models using FT-IR and Partial Least Squares (PLS) regression were developed for the rapid determination of aerobic plate count (APC), lactobacilli count, and storage time of tilapia fillets. A comprehensive data set of 137 spectra was obtained from sampled tilapia over a 10-month period. IR absorption bands of methyl and methylene stretching vibrations, amide I and II, and 1500–1025 cm−1
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Investigations of black and red figure pottery shards and local clay, excavated at Ainos (Enez-Turkey), by multiple analytical techniques Vib. Spectrosc. (IF 2.5) Pub Date : 2023-11-20 Sevim Akyuz, Sefa Celik, Gulnur Kurap, Aysen E. Ozel, Sait Basaran
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Liquid-phase surface enhanced Raman spectroscopic detection of nerve agent motifs using gold nanostars Vib. Spectrosc. (IF 2.5) Pub Date : 2023-11-11 Dariush Aligholizadeh, Youssef Tewala, Kameron Langford, Nicole Hondrogiannis, Rohit Chikkaraddy, Mary Sajini Devadas
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The rapid determination of the fatty acid content of rice by combining hyperspectral imaging and integrated learning models Vib. Spectrosc. (IF 2.5) Pub Date : 2023-11-10 Xue Fei, Kangling He, Yuexiang Huang, Jianping Tian, Xinjun Hu, Yan Liang, Xinqiang Yi, Liangliang Xie, Dan Huang
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Ultra-sensitive SERS detection of Aβ 1–42 for Alzheimer's disease using graphene oxide/gold nanohybrids Vib. Spectrosc. (IF 2.5) Pub Date : 2023-11-10 Luyao Wang, Hui Chen, Shaojun Ma, Min Chang, Xuedian Zhang
Alzheimer's disease (AD) is an irreversible neurodegenerative brain disorder and the most common cause of dementia with significant social and economic impact. Despite the severity and prevalence of AD, early diagnosis of AD remains quite challenging. One of the important markers of neuropathology in AD patients is the aggregation of Aβ1–42 monomers into oligomers, which then become fibrils and eventually
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A rapid detection method of three foodborne pathogens based on physical and chemical Raman spectroscopy enhanced Vib. Spectrosc. (IF 2.5) Pub Date : 2023-11-11 Yahui Chen, Yankun Peng, Jiewen Zuo, Tianzhen Yin
Escherichia coli, Listeria monocytogenes, and Salmonella typhi are three pathogens commonly found in food. Label-free enhanced substrates have limitations in achieving high sensitivity in three bacteria detection. To enable low-concentration detection and differentiation of foodborne pathogens, this research presents an optimized detection strategy using Au @Ag NPs as the enhancing substrate for SERS
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Optimization of Fourier transform near-infrared spectroscopy model in determining saponin compounds of Panax notoginseng roots Vib. Spectrosc. (IF 2.5) Pub Date : 2023-11-11 Chaoping Li, Zhitian Zuo, Yuanzhong Wang
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Development of homogeneous flexible substrates and evaluation of SERS performance for anionic and cationic dyes Vib. Spectrosc. (IF 2.5) Pub Date : 2023-11-10 Gabriela P. Oliveira, Ariete Righi, Mariana R. Almeida, Gustavo F.S. Andrade
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In vivo confocal Raman spectroscopy investigation of glabridin liposomes dermal penetration process in human skin Vib. Spectrosc. (IF 2.5) Pub Date : 2023-11-10 Yanan Wang, Ke Wu, Shujing Li, Xiaozhen Li, Yifan He
Encapsulating glabridin with liposome technology can contribute to the bioavailability and application in cosmetic formulations. At the same time, the small particle size of liposomes makes it feasible to penetrate the stratum corneum and enhance the dermal delivery of glabridin. Confocal Raman spectroscopy (CRS) can be employed to monitor the dermal penetration of cosmetic actives for topical applications
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Probing the Onset of the Bacterial Membrane Photodamage in Time using a Raman Optical Tweezer Vib. Spectrosc. (IF 2.5) Pub Date : 2023-11-10 Ashwini V. Bhat, Venugopal Rao Soma, Sharath Ananthamurthy
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Terahertz/far infrared spectroscopy as an alternative method for the characterization of major components in Laggera decurrens essential oil Vib. Spectrosc. (IF 2.5) Pub Date : 2023-11-08 Tshepo Pheko-Ofitlhile, Rebaone Billy, Lucia Malebogo Lepodise
The Fourier Transform Infrared technique was used to determine the major components of Laggera decurrens essential oil. The experiment revealed that there are signatures of thymol, carvacrol and thymoquinone in Laggera decurrens essential oil. This was suggested by the existence of shared absorption bands between these pure compounds and Laggera decurrens essential oil. The PBE0 DFT functional was
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Geochemical characteristics of bitumen seeps from the pila spi and bekhme formations: insights from fourier transform infrared spectroscopy and trace metals Vib. Spectrosc. (IF 2.5) Pub Date : 2023-11-02 Edris M. Pirot, Ayad N.F. Edilbi
A collection of 9 bitumen samples from Pila Spi Formation (Middle–Late Eocene) and Bekhme Formation (Late Campanian – Early Maastrichtian) were subjected for geochemical analysis of Fourier Transform Infrared Spectroscopy (FTIR) and trace metals. The results of FTIR analysis reveal the different intensity for the samples of both formations. The broad band centered around 1500–2000 cm−1 which is indicative
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Investigation of Triadimenol fungicide through DFT-based analysis of FT-IR, Raman, and SERS spectra Vib. Spectrosc. (IF 2.5) Pub Date : 2023-10-20 Bismark Nogueira da Silva, Lorena Alves de Melo Bessa, Flávia Campos Marques, Gustavo Fernandes Souza Andrade, Valdir Lourenço Junior, Eduardo Seiti Gomide Mizubuti, Jairo Tronto, Celly Mieko Shinohara Izumi
Fungi are responsible for significant crop losses every year. Due to the modernization and high demand for agriculture, chemical control is used to manage diseases caused by these microorganisms. Triadimenol (TN) is a triazole fungicide widely used to combat these pests, so the characterization of its physical and chemical properties is crucial. However, despite its extensive use, the vibrational study
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Label-free assaying of testosterone and growth hormones in blood using surface-enhanced Raman spectroscopy Vib. Spectrosc. (IF 2.5) Pub Date : 2023-10-18 Annah M. Ondieki, Zephania Birech, Kenneth A. Kaduki, Peter W. Mwangi, Moses Juma, Boniface M. Chege
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Molecular interaction of curcumin with silver nanocluster: A DFT study Vib. Spectrosc. (IF 2.5) Pub Date : 2023-10-18 Durga Gupta, Ravi Ranjan, Madhulata Shukla
The molecular interaction between curcumin, a naturally occurring polyphenolic compound with numerous health benefits, and silver nanoclusters has been investigated using Density Functional Theory (DFT). Silver nanoclusters are of great interest due to their unique optical, electronic, and catalytic properties. Understanding the interaction between curcumin and silver nanoclusters at the molecular
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Study of vibrational modes of MeV Ni ion implanted MgO crystal Vib. Spectrosc. (IF 2.5) Pub Date : 2023-10-13 Sourav Bhakta, Pratap K. Sahoo
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Surface-enhanced Raman scattering of graphene oxide chemically modified by perylene diimide Vib. Spectrosc. (IF 2.5) Pub Date : 2023-10-04 Fan Kong, Buwei Tang
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Pilot study on FT-IR and GC analysis of inhalant substances (thinners and glues) for forensic purpose Vib. Spectrosc. (IF 2.5) Pub Date : 2023-10-06 Diksha Thakur, Neeti Prakash Dubey, , Balraj Saini, Rajvinder Singh
Abuse of chemicals classified as inhalants, particularly volatile, for producing effects resembling those of sedatives and other CNS depressants has repeatedly been recorded from numerous locations across the world. This problem is gaining increased attention every day, just like the abuse of other potent drugs. In general, these substances, including paint thinner, glues, etc., do not carry any legal
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A new method for evaluating the penetration ability of near infrared diffuse reflectance light to fruit peel with chemometrics Vib. Spectrosc. (IF 2.5) Pub Date : 2023-10-04 Yiqing Dong, Guorong Du, Liwen Jiang, Yang Shan, Pao Li
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Synthesis of recyclable SERS platform based on magnetic Fe3O4/mTiO2/Ag composites for photodegradation and identification of organic pollutants in different water samples Vib. Spectrosc. (IF 2.5) Pub Date : 2023-09-29 Xiaojun Wen, Jumei Li
In this study, we coatedmagnetic Fe3O4 nanospheres with a crystalline mesoporous TiO2 (mTiO2) layer with photocatalytic activity, followed by the deposition of Ag nanoparticles as an outer layer through in-situ reduction of AgNO3 to obtain multifunctional Fe3O4/mTiO2/Ag core-shell-shell structured composites. By adjusting the amount of AgNO3, we were able to precisely control the size and coverage