Vibrational Spectroscopy

Article	Citations
Point-and-shoot: portable Raman and SERS detection of organic gunshot residue analytes	55
Editorial Board	40
Sputter deposited silver film as an alternative tool for Raman signal enhancement in plasma-activated water	40
Influence of dielectric environments on Raman non-coincidence effects in the C O stretching and NH2 bending modes of formamide	39
The research on the molecular spectroscopic recognition mechanism of microplastics in typical agricultural media	39
The effect of temperature on the identification of NIR animal fats and oils species and its mechanism	36
Porphyrin aluminum MOF with ultra-high water sorption capacity: In-situ time-dependent ATR-FTIR spectroscopy and gravimetry to study mechanism of water bonding and desorption	35
Spectroscopic review of hydrogenated, carbonated and oxygenated group IV alloys	28
MSNNet: Multi-scale-abled networks with multi-groups channel attention for vibrational spectrum matching	28
Preliminary study of estradiol and progesterone detection based on terahertz spectroscopy	26
Calorimetric and Raman spectroscopic studies of zwitterionic and anionic membrane interactions of phenolic compound coumarin	25
Garlic bulb classification by combining Raman spectroscopy and machine learning	25
Comparative study of the hydrogen bonding properties between allyl-functionalized/non-functionalized ionic liquids and DMSO	24
In vivo confocal Raman spectroscopy investigation of glabridin liposomes dermal penetration process in human skin	23
Hyper-coordinated iodine in HIO3 under pressure	23
Quantitative analysis of pyrazinamide polymorphs in ternary mixtures by ATR-FTIR and Raman spectroscopy with multivariate calibration	22
Diving into colours: A multi-analytical approach to a 16th century drawing by Gherardo Cibo	22
Editorial Board	21
New trends in gold nanostructure-based SERS substrate: From fundamental to biomedical applications	20
Stability of low-pressure and high-pressure CaGa2O4 polymorphs at elevated temperatures: Raman spectroscopic study	20
Rapid identification of total phenolic content levels in boletes by two-dimensional correlation spectroscopy combined with deep learning	20
Mid-infrared gas absorption spectroscopy using a silicon germanium waveguide based chirped supercontinuum	19
In situ FTIR investigation of CO2 adsorption over MgO–Impregnated NaY zeolites	19
Unveiling intra-skeletal variability in mature and immature human skeletal remains via ATR-FTIR spectroscopy	19
New insight into the spectroscopy of the [RuF5NO]2- anion. Infrared, Raman and UV-visible spectra supported by quantum chemical calculations	18

The detection of SF6 decomposition components SO2F2, SOF2 using mid-infrared TDLAS at 6.635 µm and 7.462 µm	18
Explanation and prediction for the product of trehalose dihydrate selective dehydration process using mid-frequency Raman difference spectra	17
Simultaneous qualitative and quantitative analyses of pesticide residues on fruit peels with ATR-FTIR spectroscopy and multi-task learning	16
Editorial Board	16
Development of homogeneous flexible substrates and evaluation of SERS performance for anionic and cationic dyes	16
Effect of hypolipidemic drugs on the process of callus formation assessed by Fourier transform infrared spectroscopy	16
Mechanisms of formation of polyene structures in radiation-functionalized PVC-MWCNT polymer nanocomposites	16
Comparative study of linear and nonlinear calibration algorithm for extrapolation ability of near infrared spectroscopy quantitative analysis	15
Estimation of foliar glucose content of areca palm by a smartphone app and Fourier transform infrared spectroscopy based multivariate modeling	15
The rapid determination of the fatty acid content of rice by combining hyperspectral imaging and integrated learning models	14
Thermal annealing-boosted photoinduced electron transfer efficiency of g-C3N4/Au NPs hybrids for promoting SERS detection of uric acids	14
Near infrared spectroscopy and multivariate statistical analysis as rapid tools for the geographical origin assessment of Italian hazelnuts	14
Fingerprint terahertz spectroscopy combined with machine learning for multicomponent mixture analysis	13
Influence of indium and arsenic balance on the Raman spectra of GaInAsSb alloys	13
Water dimer in CCl4 investigated by in-situ infrared spectroscopy and computational analysis	13
IR spectra of the CH3 stretching region of methylamine monomer, dimer and trimer in helium nanodroplets	12
Wine composition detection utilizing 1DCNN and the self-attention mechanism	12
Quantitative measurement of trace amoxicillin using SERS under the conditions of controlled agglomeration of silver nanoparticles	12
The application of statistical preprocessing on spectral data does not always guarantee the improvement of the predictive quality of multivariate models: Case of soil spectroscopy applied to Moroccan	12
Analysis of the effects of interface reflections on FTIR transmission spectra of thin layer samples	12
Escherichia coli research on Raman measurement mechanism and diagnostic model	12
Seed-mediated growth of highly concentrated silver nanoparticles on a flexible substrate for applications in SERS-based trace detection	12
A self-cleaning SERS substrate based on flower-like Au@MoS2/Ag NPs with photocatalytic ability	11
Analysis of crystal purity of Octogen by Fourier transform infrared spectroscopy	11
Large-scale assembly and pattern transfer of SERS-active nanoparticles for application in drug monitoring of methotrexate in blood serum	11
Comparison of SVMR and PLSR for ATR-IR data treatment: Application to AQC of mAbs in clinical solutions	11
Machine learning concept in de-spiking process for nuclear resonant vibrational spectra – Automation using no external parameter	11
Confocal Raman spectroscopy as a tool to assess advanced glycation end products on solar-exposed human skin	11
Rapid discrimination of Turkish commercial hazelnut (Corylus avellana L.) varieties using Near-Infrared Spectroscopy and chemometrics	11
The influence of temperature on the Ti4+ coordination in sodium titanosilicate melts: In-situ high-temperature Raman spectroscopy study	11
Chemometric development using portable molecular vibrational spectrometers for rapid evaluation of AVC (Valsa mali Miyabe et Yamada) infection of apple trees	11
Identification of the Molecular Structure of Mandelic Acid in Solid and Aqueous Solutions by Raman Spectra in the C-H/C-D Stretching Region	11
Probing the mesophase formation in thermotropic liquid crystal HBDBA using temperature-dependent Raman spectroscopy and DFT method	11
FT-IR analysis of tilapia fillets: Developing PLS models for the prediction of storage days, aerobic plate count, and lactobacilli	11
Development of simplified models for nondestructive testing of rice (with husk) protein content using hyperspectral imaging technology	11
A rapid determination of wheat flours components based on near infrared spectroscopy and chemometrics	11
Characterization of art materials and degradation processes in the exterior wall paintings of the main church of Rila Monastery, Bulgaria	11
Pb intoxicated biomolecular changes in Cladonia convoluta studied using 2DCOS infrared spectroscopy coupled with chemometric analysis	10
Hydrogen-bonding and symmetry breaking in the protic ionic liquid 1-ethylimidazolium nitrate	10
Investigation of Triadimenol fungicide through DFT-based analysis of FT-IR, Raman, and SERS spectra	10
Green fabrication of Au nanoparticles as SERS-active substrate for enhancement hydroquinone detection in cosmetics	10
Study on the dimension correction of juicy peach based on diffuse transmittance online detection	10
Combination of HPLC and SERS detection applied to the analysis of the trace content of amoxicillin in milk	10
Reversible functionalization of germanium by thiol monolayers to probe protein / surface interactions by ATR-FTIR	10
A variable selection method based on multicollinearity reduction for food origin traceability identification	10
Editorial Board	9
Raman spectroscopic measurement guidelines for carbon isotopic composition of CO2	9
Raman study of photoinduced crystallization of SnS2 in As2S3:Sn glasses	9
Comparison and optimization of rapid and nondestructive qualitative analysis models based on fourier transform infrared spectroscopy information of drugs	9
Emerging trends in vibrational spectroscopy	9

Application of deep raman spectroscopy to detect ammonium nitrate concealed in color fabrics	9
Synthesis of recyclable SERS platform based on magnetic Fe3O4/mTiO2/Ag composites for photodegradation and identification of organic pollutants in different water samples	8
Express method for determining the composition of soils based on IR spectroscopy technology	8
On the shape of the simulated infrared spectral density of strongly hydrogen-bonded systems: Mapping and identification of Hadži ABC structure in phosphonic acid dimers in gas phase	8
Use of polarized ATR measurements to simplify referencing in continuous sample monitoring by absorption spectroscopy	8
Molecular interaction of curcumin with silver nanocluster: A DFT study	8
Selective excitation CARS spectroscopy: An efficient method for analysis of vibrational coupling and intramolecular vibrational energy transfer	8
Toxicity of aristolochic acid in a rat model investigated by Fourier transform infrared spectroscopy combined with chemometric analysis: An exploratory study	8
Study of concentration dependent curcumin interaction with serum biomolecules using ATR-FTIR spectroscopy combined with Principal Component Analysis (PCA) and Partial Least Square Regression (PLS-R)	8
Multi-analytical investigations on a tomb mural painting of the Yuan dynasty in Chongqing, China	7
Enhancement of species-specific analysis for meat and bone meal by matrix fragments-related spectral fusion	7
Fourier-transform infrared spectroscopy for characterization of liquid protein solutions: A comparison of two sampling techniques	7
Evaluation of lumbar vertebrae mineral composition in rat model of severe osteopenia: A Fourier Transform Infrared Spectroscopy (FTIR) analysis	7
Brand identification of transparent intumescent fire retardant coatings using portable Raman spectroscopy and machine learning	7
Gaining insight into protein structure via ATR-FTIR spectroscopy	7
From molecules to functional materials: A collection of contributions presented at the XVIth International Conference on Molecular Spectroscopy	7
Adaptive noise removal for biological Raman spectra with low SNR	7
Non-destructive analytical strategies based on NIR spectroscopy for monitoring the quality of biodiesel/diesel blends in terms of the authentication of second-generation biodiesel feedstock using DD-S	7
Spectralomics – Towards a holistic adaptation of label free spectroscopy	7
Machine learning driven portable Vis-SWNIR spectrophotometer for non-destructive classification of raw tomatoes based on lycopene content	7
Editorial Board	7
Surface-enhanced Raman scattering of graphene oxide chemically modified by perylene diimide	7
An modified RamanNet model integrated with serum Raman spectroscopy for breast cancer screening	7
Blood collection tube components interference on spectral signatures of chronic kidney disease probed by micro-reflectance Fourier-transform infrared spectroscopy on serum	7
Spectroscopic identification of amber and fabric in a Roman burial (Carmona, Spain)	7
New insights of emerald geographic origin determination based on the infrared spectroscopy of D2O and HDO molecules	7
A correction method for mitigating absorbance discrepancies between near-infrared spectrometers through the incorporation of blended carbon-titanium dioxide powder	6
Fast identification of soybean varieties using Raman spectroscopy	6
Effect of mechanical impact on the microstructure and IR spectra of cohesive soil	6
Diagnosis of corn leaf diseases by FTIR spectroscopy combined with machine learning	6
Investigations of black and red figure pottery shards and local clay, excavated at Ainos (Enez-Turkey), by multiple analytical techniques	6
Structural and spectroscopic properties, solvation effects, intermolecular interactions, and biological assays of a Mn(II)-complex with 1,10-phenanthroline and chloro ligands	6
A periodic DFT study of IR spectra of amino acids: An approach toward a better understanding of the N-H and O-H stretching regions	6
Salivary biochemical assessments to determine smoking cessation under smoking cessation program	6
A multidisciplinary approach to investigate the peculiar artistic technique of Scagliola: Modern age decorations in Hadrian’s Villa (Tivoli, Italy)	6
Size stable batch mode model updating method	6
Quantitative analysis of component contents in AS/PDM composite coagulant by infrared spectroscopy	6
Rapid determination of the moisture content of triethyleneglycol dinitrate absorption tablets by near-infrared spectroscopy	6
Thermally activated transformations of the dielectric response function of mono- and disaccharides in the THz range	6
Botanical origin identification and adulteration quantification of honey based on Raman spectroscopy combined with convolutional neural network	6
Rapid identification of live and dead Salmonella by surface-enhanced Raman spectroscopy combined with convolutional neural network	6
Determining the geographical origin and glycogen content of oysters using portable near-infrared spectroscopy: Comparison of classification and regression approaches	5
Development of non-invasive diagnosis based on FTIR spectroscopy	5
Rapid analysis of eucalyptus oil adulteration in Moroccan rosemary essential oil via GC-FID and mid-infrared spectroscopy	5
Application of Attenuated Total Reflectance Fourier-Transform Infrared Spectroscopy in Human Sera: Validate the method for contributing effective strategy for the storage and preservation	5
Changes in the structure of hard tissues of the lower third molars at different stages of eruption according to IR spectroscopy data	5
Vibrational spectroscopy, X-ray diffraction and EDS applied to reveal the fossilization pathways of fossil shells from the Jandaíra Formation, Upper Cretaceous Northeast Brazil	5
Editorial Board	5
CARS spectra of polystyrene sheet at excitation of fs pulses and chirped pulses	5
The problem of manifestation of tertiary structure in the vibrational spectra of proteins	5
Spectral comparison of nanoporous silica-adsorbed organic molecules with gaseous and liquid states using a new waveguide technology	5
Rapid determination of alprazolam in gin tonic cocktails based on the coupling of IR spectroscopy and chemometrics: A feasibility study	5
Concentration-dependent structure of mixed (NH4)2SO4 and K2SO4 aqueous solutions using the X-ray diffraction, Raman spectroscopy and molecular dynamics simulations	5
The calculation of energy-factored force constants for fac‑Re(CO)3(N‑N)(X) molecules and related complexes	5
Rapid identification of cocrystal components of explosives based on Raman spectroscopy and principal component analysis	5
Synthesis of a SERRS substrate based on TiO2 nanotubes films decorated with Ag nanoparticles for anthocyanins species determination in grape skin extracts	5
Sensitive detection of trilobatin in tea beverages based on hydroxy-functionalized Ag@COF SERS substrate	5
Combining micro-infrared reflection absorption spectroscopy with density functional theory for investigating the adsorption of organic friction modifiers on steel surfaces	5
Biomarker Raman bands of estradiol, follicle-stimulating, luteinizing, and progesterone hormones in blood	5
Synthesis of polyvinyl alcohol/Ag electrospun nanofibers as highly efficient flexible SERS substrates	4
Trace level detection of the azo base of organic dye by surface-enhanced Raman spectroscopy	4
Explanation and prediction for the crystallized products from amorphous bicalutamide and bicalutamide solutions by using mid-frequency Raman difference spectra	4
Adulteration detection of Sudan Red and metanil yellow in turmeric powder by NIR spectroscopy and chemometrics: The role of preprocessing methods in analysis	4
A new method for evaluating the penetration ability of near infrared diffuse reflectance light to fruit peel with chemometrics	4
Fabrication of sea urchin-like Au@SiO2 nanoparticles SERS substrate for the determination of malachite green in tilapia	4
Surface-enhanced Raman scattering activities and recyclability of Ag-incorporated WO3 nanofiber-based substrates	4
Anomalous LO-TO splitting observed by combined IR reflectance and Raman scattering in KTiOPO4 (KTP) single crystal	4
Evolution of Raman and photoluminescence spectral characteristics of monolayer CVD-MoS2 over a wide temperature range	4
A novel infrared spectral preprocessing method based on self-deconvolution and differentiation in the frequency domain	4
Editorial Board	4
Pocket-size near-IR spectrometers for rapid examination of contaminated textile fibres at the crime-scene	4
TMB-AgNPs@COF based SERS probe for the rapid detection of glucose in drinks	4
Raman spectroscopic study of dehydration reactions between boric acid and aliphatic dihydric alcohols in solution	4
The infrared spectra of amides. Part 1. The stretching vibrations of primary carboxamides	4
In-situ ATR-IR monitoring of hydrothermal carbonation of wollastonite	4
Research progress and the application of near-infrared spectroscopy in protein structure and molecular interaction analysis	4
Synthesis, structural and spectral investigations of an optically active E-N′-(3,4-dimethoxybenzylidene)− 4-fluorobenzohydrazide crystal	4
Fig seeds: Combined approach of lipochemical assessment using gas chromatography and FTIR-ATR spectroscopy using chemometrics	4
On the effect of excessive solar exposure on human skin: Confocal Raman spectroscopy as a tool to assess advanced glycation end products: Comment	4
Optimization of shell-isolated nanoparticle-enhanced Raman spectroscopy experiments with silver core-silica shell nanoparticles	4

Editorial Board	4
DeltaPCA: A statistically robust method for analysing surface-enhanced Raman spectra for quantitative analyte detection	4
Nondestructive and rapid detection of foreign materials in wolfberry by hyperspectral imaging combing with chemometrics	4
Local structure of hydrated nanocrystalline films of the proton conductor BaZr1-Sc O3-/2 studied by infrared spectroscopy	4
The feasibility of using ATR-FTIR spectroscopy combined with one-class support vector machine in screening turmeric powders	4
Discovery of calcium sulfate at different hydration states on Mars - based on perseverance SHERLOC analysis	3
Authentication analysis of animal fats adulteration in nail polish simulation using Raman spectroscopy coupled with chemometrics	3
Evaluating the detection of cocaine and its impurities concealed inside fruit- and vegetable- food products using handheld spatially offset Raman spectroscopy	3
Spectral classification analysis of recycling plastics of small household appliances based on infrared spectroscopy	3
Preparation and characterization of 5-fluorouracil drug cocrystal and its dynamic monitoring of cocrystallization process via SERS spectroscopy	3
Editorial Board	3
Raman and ab initio study of intermolecular interactions in aniline	3
Fermentation quality evaluation of tea by estimating total catechins and theanine using near-infrared spectroscopy	3
A comprehensive and innovative chemometric approach: Archaeometric analysis of the sherds from the Neolithic Period to the Chalcolithic and early Bronze Age with the full deployment of FTIR's molecula	3
Prediction of the probability of metastasis to the sentinel lymph node in breast cancer by ATR-FTIR spectroscopy and chemometrics	3
Raman imaging studies on the stability of Paracetamol tablets under different storage conditions	3
A combined spectroscopic investigation of cobalt oxide films prepared by DC reactive sputtering	3
Compositional and structural characterization of dorsal root ganglion neurons and co-cultured Schwann cells by confocal Raman microspectral imaging	3
Rapid determination of adulteration of clove essential oil with benzyl alcohol and ethyl acetate: Towards quality control analysis by FTIR with chemometrics	3
Vibrational relaxation of monomeric and self-associated acrylonitrile species in solutions	3
An automatic baseline correction method based on reweighted penalised least squares method for non-sensitive areas	3
Uncovering the vibrational modes of zwitterion glycine in aqueous solution	3
Structural analysis of MDMA in solution by methods of chiroptical spectroscopy supported by DFT calculations	3
Rapid discrimination of eucalypt species using a handheld near-infrared instrument	3
Editorial Board	3
Vibrational spectroscopic studies, DFT, and molecular docking investigations of 4-fluoro- 3-methyl benzophenone	3
ATR-FTIR spectroscopy combined with machine learning for classification of PVA/PVP blends in low concentration	3
SERS detection of negatively charged molecules by interface-induced self-assembly of PDDA modified Ag nanoparticles	3
Improved SVR based on CARS and BAS for hydrocarbon concentration detection	3
Short-range antiferromagnetic interaction and spin-phonon coupling in La2CoMnO6 double perovskite	3
Conformational, structural and vibrational studies of estragole	3
Mineralogical analysis and firing temperature of the ancient potteries of Tamil Nadu using spectroscopic techniques	3
Robust principal component analysis-multivariate adaptive regression splines (rPCA-MARS) model for determining total acid number (TAN) and total base number (TBN) of crude oil samples using attenuated	3
Single convolutional neural network model for multiple preprocessing of Raman spectra	3
Editorial Board	3
Noninvasive in vivo application of confocal Raman spectroscopy in identifying age-related biochemical changes in human stratum corneum and epidermis	2
Infrared spectroscopy of isolated molecules having a dimethyl group in CCl4	2
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Theoretical and experimental studies of Raman spectroscopy for the characterization of order-disorder transition of 1-adamantane-methanol compound	2
Deep learning methods for oral cancer detection using Raman spectroscopy	2
AComDim, a multivariate tool to highlighting impact of agroclimatic factors on Moringa oleifera Lam. leaf’s composition from their FTIR-ATR profiles	2
Vibrational probes of anharmonic interactions in the molecular ferroelectric 2-methylbenzimidazole	2
The morphology dependent plasmonic optics of urchin-like gold nanoparticles in different silver-coating modes	2
Qualitative and quantitative studies of multicomponent gas by CNN-KPCA-RF model	2
Machine learning algorithms for in-line monitoring during yeast fermentations based on Raman spectroscopy	2
Spectroscopic characterization (Raman and infrared) of Aloe maculata from the north Argentina region	2
Vibrational spectra of human tissues: Experimental data and density functional theory calculations comparison	2
Editorial Board	2
Pigment identification of prehispanic ceramics during Inka occupation (Catamarca, Argentina) using non-invasive spectroscopy (Infrared-Raman)	2
Ensure the authenticity of antibiotic vials: An independent testing protocol using attenuated total reflection infrared spectroscopy and Raman spectroscopy	2
Clinical detection of total homocysteine in human serum using surface-enhanced Raman spectroscopy	2
Coherent Raman spectroscopy: Quo vadis?	2
Editorial Board	2
Pilot study on FT-IR and GC analysis of inhalant substances (thinners and glues) for forensic purpose	2
The infrared spectra of primary amides, Part 2. Deuteration of benzamide and hydrogen bonding effects of ortho alkoxybenzamides	2
Near infrared spectroscopy for simultaneous quantification of five chemical components in Arnebiae Radix (AR) with partial least squares and support vector machine algorithms	2
Liquid-phase surface enhanced Raman spectroscopic detection of nerve agent motifs using gold nanostars	2
Application of 13CH4 double model online analysis method based on Fourier Transform Infrared Spectroscopy in energy exploration	2
Raman microspectroscopic and quantum chemical investigations of neuroleptic drugs interactions with dipalmitoylphosphatidylcholine (DPPC) lipid	2
Flexible Ag NCs/CNFs film for colorimetric and SERS dual-mode ultrasensitive detection of mercury ions (II)	2
Analysis of the X-ray induced changes in lipids extracted from hepatocarcinoma cells by means of ATR-FTIR spectroscopy	2
Classification of CARS spectral phase retrieval combined with principal component analysis	2
Effects of non-toxic doses of various food additives on the structure of mammalian retina: Investigation by mid-infrared spectroscopy	2
Rapid evaluation of milk acidity and identification of milk adulteration by Raman spectroscopy combined with chemometrics analysis	2
Cleavage of disulfide bonds used to reveal manifestation of tertiary structure in the Raman spectra of proteins	2
Tracing commercial coffee quality by infrared spectroscopy in tandem with pattern recognition approaches	2
Discriminant analysis of a mixture of pathogenic bacteria into different types and proportions by surface-enhanced Raman scattering spectroscopy combined with chemometric methods	2
Characterization of dental fragments of Toxodon sp. (Mammalia, Notoungulata) by multiple physical and chemical techniques	2
Mineralogical characterization of an eucrite Serra Pelada by Raman and XRD	2
Harnessing the past: Vibration analysis of organic additives in ancient plasters for sustainable building solutions	2
Generic prediction model of moisture content for maize kernels by combing spectral and color data through hyperspectral imaging	2
Silk fibroin-decorated with tunable Au/Ag nanodendrites: A plastic near-infrared SERS substrate with periodic microstructures for ultra-sensitive monitoring of lactic acid in human sweat	2
Modeling the vibrational spectroscopy of carbonmonoxymyoglobin using DFT and molecular dynamics	2
Simultaneous detection of dual food adulterants using graphene oxide and gold nanoparticle based surface enhanced Raman scattering duplex DNA biosensor	2
Development of a data fusion strategy combining FT-NIR and Vis/NIR-HSI for non-destructive prediction of critical quality attributes in traditional Chinese medicine particles	2
Construction of insulin-like growth factor nanocomposite biosensor by Raman spectroscopy	2
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Numerical investigation of gold nano-polygonal structures as SERS-active substrates using near and far-sided excitation	2
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Machine learning-assisted FT-IR spectroscopy for identification of pork oil adulteration in tuna fish oil	2
Rapid detection of maize seed germination rate based on Gaussian process regression with selection kernel function	2