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Journal articles on the topic 'Reference Raman spectra'

Author: Grafiati

Published: 4 June 2025

Last updated: 1 August 2025

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1

Synytsya, Alla, Zuzana Kováčová, Daniela Janstová, Michal Vočka, Jaromír Petrtýl, and Luboš Petruželka. "Comparative Study on Handheld, Modular, and Laboratory Raman Instruments for the Analysis of Colon Tissues and Colorectal Polyps." Applied Sciences 14, no. 2 (2024): 791. http://dx.doi.org/10.3390/app14020791.

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Portable Raman spectrometers may offer advantages for clinical medical diagnostics over laboratory instruments by allowing for quick measurements in the field and provision of data suitable for screening analyses. This work evaluates the potential of using available handheld, modular, and laboratory Raman spectrometers for screening normal colon tissues and benign and malignant colon polyps. The Raman spectra of tissue samples and reference biological macromolecules were measured with these instruments and analyzed using curve fitting and multivariate statistics. The spectra of calf thymus DNA

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Liu, Fuchao, and Fan Yi. "Spectrally-Resolved Raman Lidar to Measure Atmospheric Three-Phase Water Simultaneously." EPJ Web of Conferences 237 (2020): 06017. http://dx.doi.org/10.1051/epjconf/202023706017.

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We report on a spectrally-resolved Raman lidar that can simultaneously profile backscattered Raman spectrum signals from water vapor, water droplets and ice crystals as well as aerosol fluorescence in the atmosphere. The lidar emits a 354.8-nm ultraviolet laser radiation and samples echo signals in the 393.0-424.0 nm wavelength range with a 1.0-nm spectral resolution. A spectra decomposition method is developed to retrieve fluorescence spectra, water vapor Raman spectra and condensed (liquid and/or ice) water Raman spectra successively. Based on 8 different clear-sky nighttime measurement resu

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Booksh, Karl S., Christopher M. Stellman, Wendy C. Bell, and Michael L. Myrick. "Mathematical Alignment of Wavelength-Shifted Optical Spectra for Qualitative and Quantitative Analysis." Applied Spectroscopy 50, no. 2 (1996): 139–47. http://dx.doi.org/10.1366/0003702963906500.

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A multivariate method for aligning Raman spectra that suffer from spectral shifts resultant from diode laser mode-hopping is presented. This alignment method permits accurate alignment without necessitating a consistent reference peak while avoiding the uncertainties of estimating the maxima of broad or noisy peaks. This method differs from multivariate standardization methods in that the training set needs to be measured only once. The spectra are not compared to the spectra of a separate instrument. It is shown that the alignment enhances the performance of Raman spectroscopy for quantitativ

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Садагов, А. Ю., Т. А. Гойдина, В. А. Асеев та ін. "Меры на основе стекол, активированных ионами редкоземельных элементов, для калибровки флуоресцентных и рамановских спектрометров". Журнал технической физики 128, № 10 (2020): 1535. http://dx.doi.org/10.21883/os.2020.10.50028.145-20.

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The results of the development of fluorescence reference materials based on phosphate matrix glasses activated by rare-earth metal ions are presented. Reference materials are intended for spectral correction of emission spectra, systematic monitoring of sensitivity fluctuations of spectrofluorimeters. The possibility of their use for calibrating Raman spectrometer is being considered.

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De Gelder, Joke, Kris De Gussem, Peter Vandenabeele, and Luc Moens. "Reference database of Raman spectra of biological molecules." Journal of Raman Spectroscopy 38, no. 9 (2007): 1133–47. http://dx.doi.org/10.1002/jrs.1734.

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6

de Veij, Marleen, Peter Vandenabeele, Thomas De Beer, Jean Paul Remon, and Luc Moens. "Reference database of Raman spectra of pharmaceutical excipients." Journal of Raman Spectroscopy 40, no. 3 (2009): 297–307. http://dx.doi.org/10.1002/jrs.2125.

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7

Queiroz, Ana Luiza P., Brian M. Kerins, Jayprakash Yadav, et al. "Investigating microcrystalline cellulose crystallinity using Raman spectroscopy." Cellulose 28, no. 14 (2021): 8971–85. http://dx.doi.org/10.1007/s10570-021-04093-1.

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AbstractMicrocrystalline cellulose (MCC) is a semi-crystalline material with inherent variable crystallinity due to raw material source and variable manufacturing conditions. MCC crystallinity variability can result in downstream process variability. The aim of this study was to develop models to determine MCC crystallinity index (%CI) from Raman spectra of 30 commercial batches using Raman probes with spot sizes of 100 µm (MR probe) and 6 mm (PhAT probe). A principal component analysis model separated Raman spectra of the same samples captured using the different probes. The %CI was determine

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Perez-Pueyo, R., M. J. Soneira, M. Castanys, and S. Ruiz-Moreno. "Fuzzy Approach for Identifying Artistic Pigments with Raman Spectroscopy." Applied Spectroscopy 63, no. 8 (2009): 947–57. http://dx.doi.org/10.1366/000370209788964412.

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In this work, a fuzzy approach for automatically identifying artistic pigments from their Raman spectra is presented. The uncertainty introduced during the Raman spectrum measurement of pigments is considered in the design of the fuzzy system. The position of the Raman bands in the unknown spectrum can be subject to small displacements due to noise, misalignments in the calibration, etc. Fuzzy logic allows us to work with this uncertainty and to design a system based on the comparison between the Raman band positions in an unknown spectrum recorded from an artwork and the Raman band positions

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Tsujimori, Kota, Jun Hirotani, and Shunta Harada. "Application of Bayesian Super-Resolution to Spectroscopic Data for Precise Characterization of Spectral Peak Shape." Journal of Electronic Materials 51, no. 2 (2022): 712–17. http://dx.doi.org/10.1007/s11664-021-09326-4.

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AbstractThe number of data points of digitally recorded spectra have been limited by the number of multichannel detectors employed, which sometimes impedes the precise characterization of spectral peak shape. Here we describe a methodology to increase the number of data points as well as the signal-to-noise (S/N) ratio by applying Bayesian super-resolution in the analysis of spectroscopic data. In our present method, first, the hyperparameters for the Bayesian super-resolution are determined by a virtual experiment imitating actual experimental data, and the precision of the super-resolution r

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Kwiatkowski, Andrzej, Marcin Gnyba, Janusz Smulko, and Paweł Wierzba. "Algorithms of Chemicals Detection Using Raman Spectra." Metrology and Measurement Systems 17, no. 4 (2010): 549–59. http://dx.doi.org/10.2478/v10178-010-0045-1.

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Algorithms of Chemicals Detection Using Raman SpectraRaman spectrometers are devices which enable fast and non-contact identification of examined chemicals. These devices utilize the Raman phenomenon to identify unknown and often illicit chemicals (e.g.drugs, explosives) without the necessity of their preparation. Now, Raman devices can be portable and therefore can be more widely used to improve security at public places. Unfortunately, Raman spectra measurements is a challenge due to noise and interferences present outside the laboratories. The design of a portable Raman spectrometer develop

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De Groot, P. J., H. Swierenga, G. J. Postma, W. J. Melssen, and L. M. C. Buydens. "Effect on the Partial Least-Squares Prediction of Yarn Properties Combining Raman and Infrared Measurements and Applying Wavelength Selection." Applied Spectroscopy 57, no. 6 (2003): 642–48. http://dx.doi.org/10.1366/000370203322005328.

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The combination of Raman and infrared spectroscopy on the one hand and wavelength selection on the other hand is used to improve the partial least-squares (PLS) prediction of seven selected yarn properties. These properties are important for on-line quality control during production. From 71 yarn samples, the Raman and infrared spectra are measured and reference methods are used to determine the selected properties. Making separate PLS models for all yarn properties using the Raman and infrared spectra, prior to wavelength selection, reveals that Raman spectroscopy outperforms infrared spectro

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12

Kang, Jeon Woong, Yun Sang Park, Hojun Chang, et al. "Direct observation of glucose fingerprint using in vivo Raman spectroscopy." Science Advances 6, no. 4 (2020): eaay5206. http://dx.doi.org/10.1126/sciadv.aay5206.

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Noninvasive blood glucose monitoring has been a long-standing dream in diabetes management. The use of Raman spectroscopy, with its molecular specificity, has been investigated in this regard over the past decade. Previous studies reported on glucose sensing based on indirect evidence such as statistical correlation to the reference glucose concentration. However, these claims fail to demonstrate glucose Raman peaks, which has raised questions regarding the effectiveness of Raman spectroscopy for glucose sensing. Here, we demonstrate the first direct observation of glucose Raman peaks from in

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Shi, Erbin, Ruize Zhang, Xiaojia Zeng, Yanqing Xin, Enming Ju, and Zongcheng Ling. "Spectroscopy of Magnesium Sulfate Double Salts and Their Implications for Mars Exploration." Remote Sensing 16, no. 9 (2024): 1592. http://dx.doi.org/10.3390/rs16091592.

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Magnesium sulfate has been widely detected on the surface of Mars. The occurrence of magnesium sulfate and mixed cationic sulfates preserves clues regarding the sedimentary environment, hydrological processes, and climate history of ancient Mars. In this study, seven magnesium sulfate double salts were synthesized in the laboratory using a high-temperature solid phase reaction or slow evaporation of aqueous solutions. The samples were analyzed using X-ray diffraction to confirm their phase and homogeneity. Subsequently, the Raman, mid-infrared spectra, and visible near-infrared spectra of thes

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Weatherall, James C., Jeffrey Barber, Carolyn S. Brauer, et al. "Adapting Raman Spectra from Laboratory Spectrometers to Portable Detection Libraries." Applied Spectroscopy 67, no. 2 (2013): 149–57. http://dx.doi.org/10.1366/12-06759.

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Raman spectral data collected with high-resolution laboratory spectrometers are processed into a format suitable for importing as a user library on a 1064 nm DeltaNu first generation, field-deployable spectrometer prototype. The two laboratory systems used are a 1064 nm Bruker Fourier transform (FT)-Raman spectrometer and a 785 nm Kaiser dispersive spectrometer. The steps taken to adapt for device-dependent spectral resolution, wavenumber shifts between instruments, and relative intensity response are described. Effects due to the differing excitation laser wavelengths were found to be minimal

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Papadakis, Vassilis M., Christina Cheimonidi, Maria Panagopoulou, et al. "Label-Free Human Disease Characterization through Circulating Cell-Free DNA Analysis Using Raman Spectroscopy." International Journal of Molecular Sciences 24, no. 15 (2023): 12384. http://dx.doi.org/10.3390/ijms241512384.

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Circulating cell-free DNA (ccfDNA) is a liquid biopsy biomaterial attracting significant attention for the implementation of precision medicine diagnostics. Deeper knowledge related to its structure and biology would enable the development of such applications. In this study, we employed Raman spectroscopy to unravel the biomolecular profile of human ccfDNA in health and disease. We established reference Raman spectra of ccfDNA samples from healthy males and females with different conditions, including cancer and diabetes, extracting information about their chemical composition. Comparative ob

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Yu, Hyeong Geun, Dong Jo Park, Dong Eui Chang, and Hyunwoo Nam. "An Effective Baseline Correction Algorithm Using Broad Gaussian Vectors for Chemical Agent Detection with Known Raman Signature Spectra." Sensors 21, no. 24 (2021): 8260. http://dx.doi.org/10.3390/s21248260.

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Raman spectroscopy, which analyzes a Raman scattering spectrum of a target, has emerged as a key technology for non-contact chemical agent (CA) detection. Many CA detection algorithms based on Raman spectroscopy have been studied. However, the baseline, which is caused by fluorescence generated when measuring the Raman scattering spectrum, degrades the performance of CA detection algorithms. Therefore, we propose a baseline correction algorithm that removes the baseline, while minimizing the distortion of the Raman scattering spectrum. Assuming that the baseline is a linear combination of broa

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Wagner, W. D., and W. Waidelich. "Selective Observation of Chlorophyll c in Whole Cells of Diatoms by Resonant Raman Spectroscopy." Applied Spectroscopy 40, no. 2 (1986): 191–96. http://dx.doi.org/10.1366/0003702864509574.

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A surface scanning technique was used to obtain resonant Raman spectra from chlorophylls in solution and in whole cells of diatoms at 80 K. When in vivo samples are excited at 457.9 nm, chlorophyll c becomes observable in the recorded Raman spectra, as shown by comparison with in vitro measurements. In the field of photosynthetic research this becomes Interesting, as chlorophyll c can hardly be detected in electronic absorption spectra from whole cells, even at low temperatures, because of its weak Q bands compared with other plant chlorophylls. Chl a spectra were obtained with the use of 441.

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Kleine Borgmann, Felix, Andreas Husch, Redouane Slimani, et al. "PATH-31. BUILDING A RAMAN SPECTROSCOPY REFERENCE DATABASE FOR TUMOR IDENTIFICATION AND CLASSIFICATION." Neuro-Oncology 21, Supplement_6 (2019): vi149—vi150. http://dx.doi.org/10.1093/neuonc/noz175.627.

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Abstract Brain tumor resection requires careful assessment of the nature and malignancy of the tumor tissue during intervention, as this is the basis for the decision as to how radical surgery has to be. Typically, there is no tissue available for analysis prior to the surgery. Intraoperative histopathological examination of tumor samples is time consuming and puts the patient to a significant amount of strain due to ongoing anesthesia and prolonged surgery, thus there is a need to develop faster methods for thorough diagnostics. Raman spectroscopy allows for a fast analysis of samples without

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19

Zhigalina, A. A., V. G. Dudarev, V. V. Tikhonova, and O. Yu Strelova. "Development of Genistein Synthesis for Use as a Certified Reference Material." Drug development & registration 10, no. 4 (2021): 20–31. http://dx.doi.org/10.33380/2305-2066-2021-10-4(1)-20-31.

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Introduction. The use of certified reference materials (CRMs) ensures metrological traceability and comparability of analysis results performed in different laboratories, by different analysts, at different times. Genistein is a promising substance with a wide spectrum of pharmacological action. genistein is widely used in dietary supplements. Development of regulatory documents for CRM of genistein will ensure the quality of drugs and dietary supplements.Aim. Aim of our study is to improve of the ways of synthesis and determination of spectrum characteristics of genistein for the certificatio

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20

Ferrer-Galindo, L., A. D. Sañu-Ginarte, N. Fleitas-Salazar, et al. "Denoising and Principal Component Analysis of Amplified Raman Spectra from Red Blood Cells with Added Silver Nanoparticles." Journal of Nanomaterials 2018 (June 3, 2018): 1–9. http://dx.doi.org/10.1155/2018/9417819.

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Incubated erythrocytes with and without silver nanoparticles (AgNP) were analyzed by Raman spectroscopy, resulting in two Raman spectra datasets. AgNP were added to red blood cells (RBC) in order to enhance the Raman signals. This technique is known as surface-enhanced Raman scattering (SERS). A comparison was made between the Raman spectra with and without AgNP, to test if the SERS had taken place. Since Raman and SERS spectra are considered to be cumbersome due to the noises presented, we applied denoising criteria for detection and removal of noises like cosmic rays, shot, and fluorescence

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Shundalau, Maksim, Yuliya L. Mindarava, Anna S. Matsukovich, Sergey V. Gaponenko, Ali A. El-Emam, and Hamad N. Alkahtani. "Structural, Vibrational and UV/Vis Studies of Adamantane-Containing Triazole Thiones by Spectral, DFT and Multi-reference ab initio Methods." Zeitschrift für Physikalische Chemie 234, no. 1 (2020): 85–106. http://dx.doi.org/10.1515/zpch-2018-1271.

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AbstractThe Fourier transform infrared and Raman spectra of two adamantane-containing triazole thiones, namely 3-(adamantan-1-yl)-1-[(4-benzylpiperazin-1-yl)methyl]-4-phenyl-1H-1,2,4-triazole-5(4H)-thione and 3-(adamantan-1-yl)-4-phenyl-1-[(4-phenylpiperazin-1-yl)methyl]-1H-1,2,4-triazole-5(4H)-thione, were examined in the ranges of 3200–650 cm−1 and 3200–150 cm−1, respectively. The density functional theory calculations were performed for the geometric structures and vibrational spectra for the title molecules. The accurate equilibrium geometry structures of the molecules were determined on t

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Prakash, Om, and Siva Umapathy. "Raman spectroscopy study of CdS nanorods and strain induced by the adsorption of 4-mercaptobenzoic acid." Journal of Chemical Physics 158, no. 13 (2023): 134719. http://dx.doi.org/10.1063/5.0142702.

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In this study, near- and off-resonance Raman spectra of cadmium sulfide (CdS) quantum rods (NRs) and 4-mercaptobenzoic acid (4-MBA) adsorbed CdS NRs are reported. The envelopes of characteristic optical phonon modes in the near-resonance Raman spectrum of CdS NRs are deconvoluted by following the phonon confinement model. As compared with off-resonant Raman spectra, optical phonon modes scattering cross section is amplified significantly in near-resonance Raman spectra through the Fröhlich interaction. The Huang–Rhys factor defining the strength of the Fröhlich interaction is estimated (∼0.468

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Innocenti, Silvia, Diego Quintero Balbas, Monica Galeotti, Andrea Cagnini, Simone Porcinai, and Jana Striova. "Historical Pigments and Paint Layers: Raman Spectral Library with 852 nm Excitation Laser." Minerals 14, no. 6 (2024): 557. http://dx.doi.org/10.3390/min14060557.

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Raman spectroscopy (RS), for its robust analytical capabilities under constant development, is a powerful method for the identification of various materials, in particular pigments in cultural heritage. Characterization of the artist’s palette is of fundamental importance for the correct formulation of restoration intervention as well as for preventive conservation of artworks. Here we examine the number and variability of research studies exploiting Bravo handheld Raman spectrophotometer relying on the excitation of Raman signal with temperature-shifted diode lasers emitting at 852 and 785 nm

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Longoni, Margherita, Francesco Ferretti, Sofia Zucca, Letizia Caielli, and Silvia Bruni. "Surface-Enhanced Raman Spectroscopy for the Investigation of Chromogenic Motion Picture Films: A Preliminary Study." Chemosensors 10, no. 3 (2022): 101. http://dx.doi.org/10.3390/chemosensors10030101.

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In the present work, surface-enhanced Raman spectroscopy (SERS) is proposed for the identification of dyes in chromogenic films. These substances, which are generated within the film itself during the colour development process, are first studied on reference molecules synthesised for the purpose and, subsequently, on dyes extracted from a chromogenic film. SERS spectroscopy proved to be an efficient technique for their investigation, providing a proof of concept for its applicability for further studies on this complex topic. SERS spectra of the reference molecules were also compared with nor

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Wahl, Joel, Mikael Sjödahl, and Kerstin Ramser. "Single-Step Preprocessing of Raman Spectra Using Convolutional Neural Networks." Applied Spectroscopy 74, no. 4 (2020): 427–38. http://dx.doi.org/10.1177/0003702819888949.

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Preprocessing of Raman spectra is generally done in three separate steps: (1) cosmic ray removal, (2) signal smoothing, and (3) baseline subtraction. We show that a convolutional neural network (CNN) can be trained using simulated data to handle all steps in one operation. First, synthetic spectra are created by randomly adding peaks, baseline, mixing of peaks and baseline with background noise, and cosmic rays. Second, a CNN is trained on synthetic spectra and known peaks. The results from preprocessing were generally of higher quality than what was achieved using a reference based on standar

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Balfour, Walter J., Scott G. Fougere, Dieter Klapstein, and Werner M. Nau. "The infrared and Raman spectra of methoxycarbonyl and thiomethoxycarbonyl isocyanates." Canadian Journal of Chemistry 71, no. 10 (1993): 1627–31. http://dx.doi.org/10.1139/v93-203.

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The gas phase infrared and liquid phase Raman spectra of the title compounds have been recorded and vibrational analyses performed. The spectra show evidence for the presence in both the liquid and vapour phases of two rotational isomers: cisoid-Z and transoid-Z with reference to orientation of isocyanato and methyl groups relative to the carbonyl group.

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Huang, Yong, Haoran Wang, Huasheng Huang, et al. "Raman Spectroscopy and Its Application in Fruit Quality Detection." Agriculture 15, no. 2 (2025): 195. https://doi.org/10.3390/agriculture15020195.

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Raman spectroscopy is a spectral analysis technique based on molecular vibration. It has gained widespread acceptance as a practical tool for the non-invasive and rapid characterization or identification of multiple analytes and compounds in recent years. In fruit quality detection, Raman spectroscopy is employed to detect organic compounds, such as pigments, phenols, and sugars, as well as to analyze the molecular structures of specific chemical bonds or functional groups, providing valuable insights into fruit disease detection, pesticide residue analysis, and origin identification. Conseque

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Anderssen, R. S., E. Carter, B. G. Osborne, and I. J. Wesley. "Joint Inversion of Multi-Modal Spectroscopic Data of Wheat Flours." Applied Spectroscopy 59, no. 7 (2005): 920–25. http://dx.doi.org/10.1366/0003702054411625.

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The application of calibration and prediction (CAP) to joint measurements of near-infrared (NIR) and Raman spectra for the same reference data requires the development of joint inversion methodologies for the implementation of the calibration step. Joint inversion has been successfully utilized in geophysical prospecting and in medical diagnosis, where the need to perform CAP is not involved. However, the obvious ways in which joint inversion might be implemented in spectroscopy, where some form of CAP must be performed, do not appear to work. Here, a new methodology, leap-frog calibration and

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Johnson, Timothy J., Yin-Fong Su, Kristin H. Jarman, et al. "Demonstrated Wavelength Portability of Raman Reference Data for Explosives and Chemical Detection." International Journal of Spectroscopy 2012 (July 5, 2012): 1–11. http://dx.doi.org/10.1155/2012/297056.

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As Raman spectroscopy continues to evolve, questions arise as to the portability of Raman data: dispersive versus Fourier transform, wavelength calibration, intensity calibration, and in particular the frequency of the excitation laser. While concerns about fluorescence arise in the visible or ultraviolet, most modern (portable) systems use near-infrared excitation lasers, and many of these are relatively close in wavelength. We have investigated the possibility of porting reference data sets from one NIR wavelength system to another: We have constructed a reference library consisting of 145 s

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Han, Jung Y., Michael Yeh, and Don L. DeVoe. "Nanogap traps for passive bacteria concentration and single-point confocal Raman spectroscopy." Biomicrofluidics 17, no. 2 (2023): 024101. http://dx.doi.org/10.1063/5.0142118.

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A microfluidic device enabling the isolation and concentration of bacteria for analysis by confocal Raman spectroscopy is presented. The glass-on-silicon device employs a tapered chamber surrounded by a 500 nm gap that serves to concentrate cells at the chamber apex during sample perfusion. The sub-micrometer gap retains bacteria by size exclusion while allowing smaller contaminants to pass unimpeded. Concentrating bacteria within the fixed volume enables the use of single-point confocal Raman detection for the rapid acquisition of spectral signatures for bacteria identification. The technolog

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Yüce, Meral, Nazlı Öncer, Ceren Duru Çınar, Beyza Nur Günaydın, Zeynep İdil Akçora, and Hasan Kurt. "Comprehensive Raman Fingerprinting and Machine Learning-Based Classification of 14 Pesticides Using a 785 nm Custom Raman Instrument." Biosensors 15, no. 3 (2025): 168. https://doi.org/10.3390/bios15030168.

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Raman spectroscopy enables fast, label-free, qualitative, and quantitative observation of the physical and chemical properties of various substances. Here, we present a 785 nm custom-built Raman spectroscopy instrument designed for sensing applications in the 400–1700 cm−1 spectral range. We demonstrate the performance of the instrument by fingerprinting 14 pesticide reference samples with over twenty technical repeats per sample. We present molecular Raman fingerprints of the pesticides comprehensively and distinguish similarities and differences among them using multivariate analysis and mac

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Sarkar, Tandra, Atheni Konar, Nirmal Chandra Sukul, Achintya Singha, and Anirban Sukul. "Vibrational and Raman spectroscopy provide further evidence in support of free OH groups and hydrogen bond strength underlying difference in two more drugs at ultra high dilutions." International Journal of High Dilution Research - ISSN 1982-6206 15, no. 3 (2021): 2–10. http://dx.doi.org/10.51910/ijhdr.v15i3.826.

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Objective: To confirm that free water molecules and hydrogen bond strength of OH groups underlie difference between two homeopathic drugs at ultrahigh dilution (UHD). Method: FTIR and Laser Raman spectra of UHDs of X-ray and Magnetis Poli Ambo were obtained in the wave number regions of 2400-4000 cm-1 and 2400-4200 cm-1, respectively. Mother tincture (MT) were prepared by exposing ethanol water to X-radiation for X-ray and magnetic field for Magnetis. Spectra of the reference water and the three UHDs of Ethanol were also taken. All the samples were in water-ethanol solution in which the

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Howard-Lock, H. E., C. J. L. Lock, and M. L. Martins. "Amino acid/zwitterion equilibria II: vibrational and NMR studies of substituted thiazolidine-4-carboxylic acids." Canadian Journal of Chemistry 69, no. 11 (1991): 1721–27. http://dx.doi.org/10.1139/v91-252.

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Infrared and Raman spectra (4000–100 cm) of solid samples of seven different 2-phenyl-, N-benzoyl-, and 2-ethyl-2 methyl derivatives of L-cysteine and D-penicillamine have been observed and assigned. Proton and 13C nuclear magnetic resonance spectra for the compounds have also been measured. Amino acid/zwitterion equilibria are discussed with reference to pK values and the vibrational spectra. Key words: amino acid/zwitterion equilibria, thiazolidine carboxylic acids.

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Chung, Hoeil, and Min-Sik Ku. "Comparison of Near-Infrared, Infrared, and Raman Spectroscopy for the Analysis of Heavy Petroleum Products." Applied Spectroscopy 54, no. 2 (2000): 239–45. http://dx.doi.org/10.1366/0003702001949168.

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Near-infrared (NIR) spectroscopy has been successfully applied to the determination of API (American Petroleum Institute) gravity of atmospheric residue (AR), which is the heaviest fraction in crude oil. This fraction is completely dark and very viscous. Preliminary studies involving Raman and infrared (IR) spectroscopies were also evaluated along with NIR spectroscopy. The Raman spectrum of AR was completely dominated by strong fluorescence from polycyclic aromatic hydrocarbons, called asphaltenes. IR spectroscopy provided reasonable spectral features; however, its spectral reproducibility wa

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Skvortsov, Alexey, Ekaterina Babich, Andrey Lipovskii, Alexey Redkov, Guang Yang, and Valentina Zhurikhina. "Raman Scattering Study of Amino Acids Adsorbed on a Silver Nanoisland Film." Sensors 22, no. 14 (2022): 5455. http://dx.doi.org/10.3390/s22145455.

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We studied the surface-enhanced Raman spectra of amino acids D-alanine and DL-serine and their mixture on silver nanoisland films (SNF) immersed in phosphate-buffered saline (PBS) solution at millimolar amino acid concentrations. It is shown that the spectra from the amino acid solutions differ from the reference spectra for microcrystallites due to the electrostatic orientation of amino acid zwitterions by the metal nanoisland film. Moreover, non-additive peaks are observed in the spectrum of the mixture of amino acids adsorbed on SNF, which means that intermolecular interactions between adso

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Шендрик, Р. Ю., П. Ю. Плечов, and С. З. Смирнов. "ArDI – the system of mineral vibrational spectroscopy data processing and analysis." Новые данные о минералах 2, no. 2024(58) (2024): 26–35. http://dx.doi.org/10.25993/fm.2024.58.2024.008.

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ArDI (Advanced spectRa Deconvolution Instrument) – это веб-приложение для обработки и анализа колебательных спектров минералов (https://ardi.fmm.ru/). Приложение предназначено для быстрой и надежной идентификации минералов в геологических образцах. ArDI позволяет обрабатывать спектры, проводить поиск похожих спектров в базах данных и загружать эталонные спектры минералов в базу данных для ее расширения. ArDI имеет перспективы развития в нескольких направлениях, включая улучшение эргономики интерфейса и алгоритмов автоматической обработки спектров комбинационного рассеяния света (КРС), наполнен

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Elias, Z. Stutz, Escobar Steinvall Simon, P. Litvinchuk Alexander, et al. "Raman spectroscopy and lattice dynamics calculations of tetragonally-structured single crystal zinc phosphide (Zn3P2) nanowires." Nanotechnology 32, no. 8 (2020): 085704. https://doi.org/10.1088/1361-6528/abc91b.

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Earth-abundant and low-cost semiconductors, such as zinc phosphide (Zn3P2), are promising candidates for the next generation photovoltaic applications. However, synthesis on commercially available substrates, which favors the formation of defects, and controllable doping are challenging drawbacks that restrain device performance. Better assessment of relevant properties such as structure, crystal quality and defects will allow faster advancement of Zn3P2, and in this sense, Raman spectroscopy can play an invaluable role. In order to provide a complete Raman spectrum reference of Zn3P2, this wo

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Erfort, Sebastian, Martin Tschöpe, and Guntram Rauhut. "Efficient and automated quantum chemical calculation of rovibrational nonresonant Raman spectra." Journal of Chemical Physics 156, no. 12 (2022): 124102. http://dx.doi.org/10.1063/5.0087359.

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An outline of a newly developed program for the simulation of rovibrational nonresonant Raman spectra is presented. This program is an extension of our recently developed code for rovibrational infrared spectra [Erfort et al., J. Chem Phys. 152, 244104 (2020)] and relies on vibrational wavefunctions from variational configuration interaction theory to allow for an almost fully automated calculation of such spectra in a pure ab initio fashion. Due to efficient contraction schemes, this program requires modest computational resources, and it can be controlled by only a few lines of input. As the

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Cortea, Ioana Maria, Alecsandru Chiroșca, Laurențiu-Marian Angheluță, and George Serițan. "INFRA-ART: An Open Access Spectral Library of Art-related Materials as a Digital Support Tool for Cultural Heritage Science." ACM Journal on Computing and Cultural Heritage 16, no. 2 (2023): 40. https://doi.org/10.1145/3593427.

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<strong>Abstract:</strong> Easily accessible characterization techniques such as X-ray fluorescence (XRF), Fourier Transform Infrared Spectroscopy (FTIR), or Raman spectroscopy, are at this moment the most commonly used analytical tools in heritage and conservation science. Materials identification in works of art is a fundamental step for understanding an object's history or an artist's technique. Comprehensive characterization and diagnosis of the various constituent materials in artworks can provide valuable information on the artist's working methods, as well as significant evidence for da

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do Nascimento-Dias, Bruno Leonardo, Maria Elizabeth Zucolotto, Hugo Camarano Belgo, Talita Valverde Ferreira da Silva, and Virgĩlio de Carvalho dos Anjos. "Detection of organic or inorganic material in Martian meteorite Zagami by vibrational spectroscopy?" International Journal of Astrobiology 19, no. 6 (2020): 438–45. http://dx.doi.org/10.1017/s147355042000021x.

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AbstractZagami is a basaltic shergottite well characterized among Martian meteorites. For this reason, it is used as a reference sample to verify the feasibility of the vibrational spectroscopy techniques. In general, these techniques seeking extract spectral signatures from individual mineral present in the meteorite samples. Among some FTIR results were detected organic compounds in the Zagami meteorite and recorded in some articles. Based on these results, an analysis of a Zagami meteorite sample was performed using FTIR and Raman spectrometry. Examining the fragment of Zagami meteorite usi

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Zhu, Chengyun, Hui Jiang, and Quansheng Chen. "High Precisive Prediction of Aflatoxin B1 in Pressing Peanut Oil Using Raman Spectra Combined with Multivariate Data Analysis." Foods 11, no. 11 (2022): 1565. http://dx.doi.org/10.3390/foods11111565.

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This study proposes a label-free rapid detection method for aflatoxin B1 (AFB1) in pressing peanut oil based on Raman spectroscopy technology combined with appropriate chemometric methods. A DXR laser Raman spectrometer was used to acquire the Raman spectra of the pressed peanut oil samples, and the obtained spectra were preprocessed by wavelet transform (WT) combined with adaptive iteratively reweighted penalized least squares (airPLS). The competitive adaptive reweighted sampling (CARS) method was used to optimize the characteristic bands of the Raman spectra pretreated by the WT + airPLS, a

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Kampasakali, Elli, Alexandros Nakas, Dimitrios Mertzanidis, Stella Kokkini, Andreana N. Assimopoulou та Dimitrios Christofilos. "μ-Raman Determination of Essential Oils’ Constituents from Distillates and Leaf Glands of Origanum Plants". Molecules 28, № 3 (2023): 1221. http://dx.doi.org/10.3390/molecules28031221.

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A novel, inexpensive and simple experimental setup for collecting μ-Raman spectra of volatile liquids in very small quantities was developed. It takes advantage of capillary forces to detain minute volatile liquid volumes. Spectra of volatile and even scattering or absorbing media can be measured more effectively. The method is used to facilitate the collection of intensity-consistent Raman spectra from a series of reference compounds present in Origanum essential oils, in order to quantify their constituents by multiple linear regression. Wild grown Origanum plants, collected from five differ

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Maslar, James, Wilbur Hurst, and Christine A. Wang. "Raman Spectroscopy of n-Type and p-Type GaSb with Multiple Excitation Wavelengths." Applied Spectroscopy 61, no. 10 (2007): 1093–102. http://dx.doi.org/10.1366/000370207782217789.

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The interpretation of Raman spectra of GaSb can be complicated by the presence of a so-called surface space-charge region (SSCR), resulting in an inhomogeneous near-surface Raman scattering environment. To fully interpret Raman spectra, it is important to have an understanding of the SSCR profile relative to the Raman probe depth. However, a priori determination of even the actual SSCR width is not always possible for GaSb under a wide range of doping levels. The primary objective of this report is to provide a convenient reference to aid in the determination of relative contributions to an ob

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Vacque, V., N. Dupuy, B. Sombret, J. P. Huvenne, and P. Legrand. "Self-Modeling Mixture Analysis Applied to FT-Raman Spectral Data of Hydrogen Peroxide Activation by Nitriles." Applied Spectroscopy 51, no. 3 (1997): 407–15. http://dx.doi.org/10.1366/0003702971940288.

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In the analytical environment, spectral data resulting from analysis of samples often represent mixtures of several components. Extraction of information about pure components of these kinds of mixtures is a major problem, especially when reference spectra are not available or when unstable intermediates are formed. Self-modeling multivariate mixture analysis has been developed for this type of problem. In this paper two examples will be used to show the potential of this technique coupled with FT-Raman spectroscopy to elucidate reaction mechanisms and to follow in situ the kinetics of chemica

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Wieland, Karin, Julia Kuligowski, Daniela Ehgartner, et al. "Toward a Noninvasive, Label-Free Screening Method for Determining Spore Inoculum Quality of Penicillium chrysogenum Using Raman Spectroscopy." Applied Spectroscopy 71, no. 12 (2017): 2661–69. http://dx.doi.org/10.1177/0003702817727728.

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We report on a label-free, noninvasive method for determination of spore inoculum quality of Penicillium chrysogenum prior to cultivation/germination. Raman microspectroscopy providing direct, molecule-specific information was used to extract information on the viability state of spores sampled directly from the spore inoculum. Based on the recorded Raman spectra, a supervised classification method was established for classification between living and dead spores and thus determining spore inoculum quality for optimized process control. A fast and simple sample preparation method consisting of

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Alali, Haifa, Yukai Ai, Yong-Le Pan, Gorden Videen, and Chuji Wang. "A Collection of Molecular Fingerprints of Single Aerosol Particles in Air for Potential Identification and Detection Using Optical Trapping-Raman Spectroscopy." Molecules 27, no. 18 (2022): 5966. http://dx.doi.org/10.3390/molecules27185966.

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Characterization, identification, and detection of aerosol particles in their native atmospheric states remain a challenge. Recently, optical trapping-Raman spectroscopy (OT-RS) has been developed and demonstrated for characterization of single, airborne particles. Such particles in different chemical groups have been characterized by OT-RS in recent years and many more are being studied. In this work, we collected single-particle Raman spectra measured using the OT-RS technique and began construction of a library of OT-RS fingerprints that may be used as a reference for potential detection an

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Vickers, Thomas J., Daniel R. Lombardi, Bin Sun, Hsiaoling Wang, and Charles K. Mann. "Calculating Inaccessible Raman Reference Spectra for Use in Monitoring a Suspension Polymerization." Applied Spectroscopy 51, no. 8 (1997): 1251–53. http://dx.doi.org/10.1366/0003702971941836.

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Brulé, Thibault, Hélène Yockell-Lelièvre, Alexandre Bouhélier, et al. "Sorting of Enhanced Reference Raman Spectra of a Single Amino Acid Molecule." Journal of Physical Chemistry C 118, no. 31 (2014): 17975–82. http://dx.doi.org/10.1021/jp504395c.

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Gyollai, Ildiko, Sándor Biri, Zoltán Juhász, et al. "Raman–Infrared Spectral Correlation of an Artificially Space-Weathered Carbonaceous Chondrite Meteorite." Minerals 14, no. 3 (2024): 288. http://dx.doi.org/10.3390/min14030288.

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Raman and infrared measurements of the same locations were conducted on a northwest African (NWA) 10580 CO3 meteorite sample, before and after three proton irradiations (1 keV ion energy using 1011, 1014, and 1017 ion/cm2 fluent values), to simulate space weathering effects. In the case of Raman spectroscopy, both FWHM and peak positions of the major olivine and pyroxene bands changed after the irradiation, and the minor bands disappeared. In the FTIR spectra, the minor bands of olivine and pyroxene also disappeared; meanwhile, major IR bands of pyroxene remained visible, demonstrating both po

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El Mendili, Yassine, Antanas Vaitkus, Andrius Merkys, et al. "Raman Open Database: first interconnected Raman–X-ray diffraction open-access resource for material identification." Journal of Applied Crystallography 52, no. 3 (2019): 618–25. http://dx.doi.org/10.1107/s1600576719004229.

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Detailed crystallographic information provided by X-ray diffraction (XRD) is complementary to molecular information provided by Raman spectroscopy. Accordingly, the combined use of these techniques allows the identification of an unknown compound without ambiguity. However, a full combination of Raman and XRD results requires an appropriate and reliable reference database with complete information. This is already available for XRD. The main objective of this paper is to introduce and describe the recently developed Raman Open Database (ROD, http://solsa.crystallography.net/rod). It comprises

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