Vibrational Spectroscopy

Article	Citations
Editorial Board	84
The research on the molecular spectroscopic recognition mechanism of microplastics in typical agricultural media	74
Sputter deposited silver film as an alternative tool for Raman signal enhancement in plasma-activated water	70
The effect of temperature on the identification of NIR animal fats and oils species and its mechanism	67
Influence of dielectric environments on Raman non-coincidence effects in the C O stretching and NH2 bending modes of formamide	42
Point-and-shoot: portable Raman and SERS detection of organic gunshot residue analytes	35
New trends in gold nanostructure-based SERS substrate: From fundamental to biomedical applications	35
Spectroscopic review of hydrogenated, carbonated and oxygenated group IV alloys	34
Stability of low-pressure and high-pressure CaGa2O4 polymorphs at elevated temperatures: Raman spectroscopic study	33
Rapid identification of total phenolic content levels in boletes by two-dimensional correlation spectroscopy combined with deep learning	33
Analysis of the polyether aqueous solution with temperature dependent NIR spectra	31
Diving into colours: A multi-analytical approach to a 16th century drawing by Gherardo Cibo	29
Preliminary study of estradiol and progesterone detection based on terahertz spectroscopy	28
MSNNet: Multi-scale-abled networks with multi-groups channel attention for vibrational spectrum matching	27
Quantitative analysis of pyrazinamide polymorphs in ternary mixtures by ATR-FTIR and Raman spectroscopy with multivariate calibration	26
Band selection using oppositional whale optimization for hyperspectral image classification	25
Garlic bulb classification by combining Raman spectroscopy and machine learning	24
In vivo confocal Raman spectroscopy investigation of glabridin liposomes dermal penetration process in human skin	23
Comparative study of the hydrogen bonding properties between allyl-functionalized/non-functionalized ionic liquids and DMSO	23
Editorial Board	22
Simultaneous qualitative and quantitative analyses of pesticide residues on fruit peels with ATR-FTIR spectroscopy and multi-task learning	22
Calorimetric and Raman spectroscopic studies of zwitterionic and anionic membrane interactions of phenolic compound coumarin	22
Unveiling intra-skeletal variability in mature and immature human skeletal remains via ATR-FTIR spectroscopy	22
Mid-infrared gas absorption spectroscopy using a silicon germanium waveguide based chirped supercontinuum	21
Development of homogeneous flexible substrates and evaluation of SERS performance for anionic and cationic dyes	21

The detection of SF6 decomposition components SO2F2, SOF2 using mid-infrared TDLAS at 6.635 µm and 7.462 µm	21
The usage of ATR-FTIR spectroscopy combined with chemometrics in postmortem diagnosis of acute myocardial infarction	20
Explanation and prediction for the product of trehalose dihydrate selective dehydration process using mid-frequency Raman difference spectra	20
ATR-FTIR spectroscopy and chemometric analysis as highly sensitive detection tool for SARS-CoV-2 infection in saliva from different types of COVID-19 severity	20
Editorial Board	19
Mechanisms of formation of polyene structures in radiation-functionalized PVC-MWCNT polymer nanocomposites	19
Estimation of foliar glucose content of areca palm by a smartphone app and Fourier transform infrared spectroscopy based multivariate modeling	18
Effect of hypolipidemic drugs on the process of callus formation assessed by Fourier transform infrared spectroscopy	18
Comparative study of linear and nonlinear calibration algorithm for extrapolation ability of near infrared spectroscopy quantitative analysis	18
Near infrared spectroscopy and multivariate statistical analysis as rapid tools for the geographical origin assessment of Italian hazelnuts	17
Accuracy of DFT quadrature grids for the computation of quantum anharmonic vibrational spectroscopy	17
FT-IR study on ambers produced from the Tohoku and Hokkaido regions in Japan	17
A dynamic threshold adaptive gradient weighted baseline correction algorithm of Raman spectra for breast cancer diagnosis	16
The rapid determination of the fatty acid content of rice by combining hyperspectral imaging and integrated learning models	16
Infrared spectroscopy of binary nucleobase mixtures: Vibrational fingerprints of intermolecular interactions	16
Thermal annealing-boosted photoinduced electron transfer efficiency of g-C3N4/Au NPs hybrids for promoting SERS detection of uric acids	16
A rapid determination of wheat flours components based on near infrared spectroscopy and chemometrics	15
Wine composition detection utilizing 1DCNN and the self-attention mechanism	15
IR spectra of the CH3 stretching region of methylamine monomer, dimer and trimer in helium nanodroplets	15
Influence of indium and arsenic balance on the Raman spectra of GaInAsSb alloys	15
Water dimer in CCl4 investigated by in-situ infrared spectroscopy and computational analysis	15
Seed-mediated growth of highly concentrated silver nanoparticles on a flexible substrate for applications in SERS-based trace detection	14
Probing the mesophase formation in thermotropic liquid crystal HBDBA using temperature-dependent Raman spectroscopy and DFT method	14
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	14
Analysis of the effects of interface reflections on FTIR transmission spectra of thin layer samples	13
Revisiting the Raman disorder band in graphene-based materials: A critical review	13
Quantitative measurement of trace amoxicillin using SERS under the conditions of controlled agglomeration of silver nanoparticles	13
Escherichia coli research on Raman measurement mechanism and diagnostic model	13
Fingerprint terahertz spectroscopy combined with machine learning for multicomponent mixture analysis	13
A self-cleaning SERS substrate based on flower-like Au@MoS2/Ag NPs with photocatalytic ability	13
Analysis of crystal purity of Octogen by Fourier transform infrared spectroscopy	12
Comparison of SVMR and PLSR for ATR-IR data treatment: Application to AQC of mAbs in clinical solutions	12
Editorial Board	12
Study on characteristic peaks of antibiotics and amino acids based on terahertz time-domain spectroscopy	12
Identification of the Molecular Structure of Mandelic Acid in Solid and Aqueous Solutions by Raman Spectra in the C-H/C-D Stretching Region	12
A variable selection method based on multicollinearity reduction for food origin traceability identification	11
Infrared phenomics with 2D-COS unveils spatial heterogeneity and chemical evolution in a microbial biofilm	11
FT-IR analysis of tilapia fillets: Developing PLS models for the prediction of storage days, aerobic plate count, and lactobacilli	11
Investigation of Triadimenol fungicide through DFT-based analysis of FT-IR, Raman, and SERS spectra	11
Resonance Raman spectroscopy of NADH, NAD+ , ferredoxin and cytochrome c in Sporomusa ovata and Clostridium carboxidivorans for microbial electrosynthesis applications	11
Model upgrading method based on domain-adversarial neural networks (DANN) for near-infrared spectroscopy analysis	11
Characterization of art materials and degradation processes in the exterior wall paintings of the main church of Rila Monastery, Bulgaria	11
Large-scale assembly and pattern transfer of SERS-active nanoparticles for application in drug monitoring of methotrexate in blood serum	11
Reversible functionalization of germanium by thiol monolayers to probe protein / surface interactions by ATR-FTIR	11
Study on the dimension correction of juicy peach based on diffuse transmittance online detection	11
Green fabrication of Au nanoparticles as SERS-active substrate for enhancement hydroquinone detection in cosmetics	10
Molecular interaction of curcumin with silver nanocluster: A DFT study	10
Raman spectroscopic measurement guidelines for carbon isotopic composition of CO2	10
Enhancement of species-specific analysis for meat and bone meal by matrix fragments-related spectral fusion	10
Spectroscopic profiling of lipid and protein alterations in kidney tissue induced by coated MoS2 quantum dots	10

Hydrogen-bonding and symmetry breaking in the protic ionic liquid 1-ethylimidazolium nitrate	10
Editorial Board	10
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	10
Use of polarized ATR measurements to simplify referencing in continuous sample monitoring by absorption spectroscopy	10
Combination of HPLC and SERS detection applied to the analysis of the trace content of amoxicillin in milk	10
Multimodal deep learning with relative position matrix for simultaneous nitride quantification in water by Raman spectroscopy	10
Application of deep raman spectroscopy to detect ammonium nitrate concealed in color fabrics	10
Synthesis of recyclable SERS platform based on magnetic Fe3O4/mTiO2/Ag composites for photodegradation and identification of organic pollutants in different water samples	10
Emerging trends in vibrational spectroscopy	10
Spectroscopic identification of amber and fabric in a Roman burial (Carmona, Spain)	9
Artificial neural networks combined with quotients to preprocess Raman Spectra from different setups	9
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	9
Brand identification of transparent intumescent fire retardant coatings using portable Raman spectroscopy and machine learning	9
Raman study of photoinduced crystallization of SnS2 in As2S3:Sn glasses	9
Fourier-transform infrared spectroscopy for characterization of liquid protein solutions: A comparison of two sampling techniques	9
Adaptive noise removal for biological Raman spectra with low SNR	9
Comparison and optimization of rapid and nondestructive qualitative analysis models based on fourier transform infrared spectroscopy information of drugs	9
An modified RamanNet model integrated with serum Raman spectroscopy for breast cancer screening	9
Surface-enhanced Raman scattering of graphene oxide chemically modified by perylene diimide	9
Botanical origin identification and adulteration quantification of honey based on Raman spectroscopy combined with convolutional neural network	8
From molecules to functional materials: A collection of contributions presented at the XVIth International Conference on Molecular Spectroscopy	8
Fast identification of soybean varieties using Raman spectroscopy	8
Spectralomics – Towards a holistic adaptation of label free spectroscopy	8
New insights of emerald geographic origin determination based on the infrared spectroscopy of D2O and HDO molecules	8
Size stable batch mode model updating method	8
Quantitative analysis of component contents in AS/PDM composite coagulant by infrared spectroscopy	8
Structural and spectroscopic properties, solvation effects, intermolecular interactions, and biological assays of a Mn(II)-complex with 1,10-phenanthroline and chloro ligands	8
Effect of mechanical impact on the microstructure and IR spectra of cohesive soil	8
Machine learning driven portable Vis-SWNIR spectrophotometer for non-destructive classification of raw tomatoes based on lycopene content	8
Gaining insight into protein structure via ATR-FTIR spectroscopy	8
A correction method for mitigating absorbance discrepancies between near-infrared spectrometers through the incorporation of blended carbon-titanium dioxide powder	8
Thermally activated transformations of the dielectric response function of mono- and disaccharides in the THz range	8
Rapid determination of the moisture content of triethyleneglycol dinitrate absorption tablets by near-infrared spectroscopy	8
Investigations of black and red figure pottery shards and local clay, excavated at Ainos (Enez-Turkey), by multiple analytical techniques	8
Blood collection tube components interference on spectral signatures of chronic kidney disease probed by micro-reflectance Fourier-transform infrared spectroscopy on serum	8
Editorial Board	8
Multi-analytical investigations on a tomb mural painting of the Yuan dynasty in Chongqing, China	8
A multidisciplinary approach to investigate the peculiar artistic technique of Scagliola: Modern age decorations in Hadrian’s Villa (Tivoli, Italy)	7
Sensitive detection of trilobatin in tea beverages based on hydroxy-functionalized Ag@COF SERS substrate	7
Label-free Raman spectroscopy combined with CNN-LSTM model for rapid diagnosis of lung cancer based on cytological smears	7
Spectral comparison of nanoporous silica-adsorbed organic molecules with gaseous and liquid states using a new waveguide technology	7
Development of non-invasive diagnosis based on FTIR spectroscopy	7
Synthesis of a SERRS substrate based on TiO2 nanotubes films decorated with Ag nanoparticles for anthocyanins species determination in grape skin extracts	7
Unravelling the molecular mechanisms of LLPS in neurobiology with Raman Spectroscopy	7
Biomarker Raman bands of estradiol, follicle-stimulating, luteinizing, and progesterone hormones in blood	7
CARS spectra of polystyrene sheet at excitation of fs pulses and chirped pulses	7
Diagnosis of corn leaf diseases by FTIR spectroscopy combined with machine learning	7
Rapid analysis of eucalyptus oil adulteration in Moroccan rosemary essential oil via GC-FID and mid-infrared spectroscopy	7
Changes in the structure of hard tissues of the lower third molars at different stages of eruption according to IR spectroscopy data	7
Surface-enhanced Raman spectroscopy coupled with DFT for sensitive detection of tadalafil in complex matrices	7
Determining the geographical origin and glycogen content of oysters using portable near-infrared spectroscopy: Comparison of classification and regression approaches	6
Synthesis, structural and spectral investigations of an optically active E-N′-(3,4-dimethoxybenzylidene)− 4-fluorobenzohydrazide crystal	6
Editorial Board	6
The calculation of energy-factored force constants for fac‑Re(CO)3(N‑N)(X) molecules and related complexes	6
Application of Attenuated Total Reflectance Fourier-Transform Infrared Spectroscopy in Human Sera: Validate the method for contributing effective strategy for the storage and preservation	6
Evolution of Raman and photoluminescence spectral characteristics of monolayer CVD-MoS2 over a wide temperature range	6
Spectral denoising approach using enhanced wavelet packet-optimized EEMD algorithm	6
Editorial Board	6
Rapid identification of cocrystal components of explosives based on Raman spectroscopy and principal component analysis	6
Combining micro-infrared reflection absorption spectroscopy with density functional theory for investigating the adsorption of organic friction modifiers on steel surfaces	6
Editorial Board	6
The feasibility of using ATR-FTIR spectroscopy combined with one-class support vector machine in screening turmeric powders	6
A novel infrared spectral preprocessing method based on self-deconvolution and differentiation in the frequency domain	6
Rapid determination of alprazolam in gin tonic cocktails based on the coupling of IR spectroscopy and chemometrics: A feasibility study	6
Vibrational spectroscopy, X-ray diffraction and EDS applied to reveal the fossilization pathways of fossil shells from the Jandaíra Formation, Upper Cretaceous Northeast Brazil	6
Nondestructive and rapid detection of foreign materials in wolfberry by hyperspectral imaging combing with chemometrics	5
Explanation and prediction for the crystallized products from amorphous bicalutamide and bicalutamide solutions by using mid-frequency Raman difference spectra	5
DeltaPCA: A statistically robust method for analysing surface-enhanced Raman spectra for quantitative analyte detection	5
Research progress and the application of near-infrared spectroscopy in protein structure and molecular interaction analysis	5
Optimization of shell-isolated nanoparticle-enhanced Raman spectroscopy experiments with silver core-silica shell nanoparticles	5
Editorial Board	5
Spectral classification analysis of recycling plastics of small household appliances based on infrared spectroscopy	5
Editorial Board	5
Prediction of the probability of metastasis to the sentinel lymph node in breast cancer by ATR-FTIR spectroscopy and chemometrics	5
Raman spectroscopic study of dehydration reactions between boric acid and aliphatic dihydric alcohols in solution	5
The infrared spectra of amides. Part 1. The stretching vibrations of primary carboxamides	5
In-situ ATR-IR monitoring of hydrothermal carbonation of wollastonite	5
Trace level detection of the azo base of organic dye by surface-enhanced Raman spectroscopy	5
Vibrational spectroscopic studies, DFT, and molecular docking investigations of 4-fluoro- 3-methyl benzophenone	5
ATR-FTIR spectroscopy combined with machine learning for classification of PVA/PVP blends in low concentration	5

Single convolutional neural network model for multiple preprocessing of Raman spectra	5
Pocket-size near-IR spectrometers for rapid examination of contaminated textile fibres at the crime-scene	5
Anomalous LO-TO splitting observed by combined IR reflectance and Raman scattering in KTiOPO4 (KTP) single crystal	5
Adulteration detection of Sudan Red and metanil yellow in turmeric powder by NIR spectroscopy and chemometrics: The role of preprocessing methods in analysis	5
Local structure of hydrated nanocrystalline films of the proton conductor BaZr1-Sc O3-/2 studied by infrared spectroscopy	5
A new method for evaluating the penetration ability of near infrared diffuse reflectance light to fruit peel with chemometrics	5
TMB-AgNPs@COF based SERS probe for the rapid detection of glucose in drinks	5
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	5
Raman and ab initio study of intermolecular interactions in aniline	5
Improved SVR based on CARS and BAS for hydrocarbon concentration detection	5
Editorial Board	5
Authentication analysis of animal fats adulteration in nail polish simulation using Raman spectroscopy coupled with chemometrics	4
A combined spectroscopic investigation of cobalt oxide films prepared by DC reactive sputtering	4
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	4
Mineralogical analysis and firing temperature of the ancient potteries of Tamil Nadu using spectroscopic techniques	4
Qualitative and quantitative studies of multicomponent gas by CNN-KPCA-RF model	4
Research on quantitative analysis of single-component hydrocarbon gases based on optimized SVR with double-local strategy	4
Rapid discrimination of eucalypt species using a handheld near-infrared instrument	4
Lightweight double attention neural network based on Raman spectroscopy for diagnosis of osteoporosis	4
Raman imaging studies on the stability of Paracetamol tablets under different storage conditions	4
Green non-destructive approach for quantifying hydroxyl groups in lignin using ATR-FTIR spectroscopy and chemometric methods	4
An automatic baseline correction method based on reweighted penalised least squares method for non-sensitive areas	4
Application of 13CH4 double model online analysis method based on Fourier Transform Infrared Spectroscopy in energy exploration	4
SERS detection of negatively charged molecules by interface-induced self-assembly of PDDA modified Ag nanoparticles	4
Influence of the computational methods in the conformational assignment of experimental infrared spectra	4
Short-range antiferromagnetic interaction and spin-phonon coupling in La2CoMnO6 double perovskite	4
Preparation and characterization of 5-fluorouracil drug cocrystal and its dynamic monitoring of cocrystallization process via SERS spectroscopy	4
Discovery of calcium sulfate at different hydration states on Mars - based on perseverance SHERLOC analysis	4
Compositional and structural characterization of dorsal root ganglion neurons and co-cultured Schwann cells by confocal Raman microspectral imaging	4
Evaluating the detection of cocaine and its impurities concealed inside fruit- and vegetable- food products using handheld spatially offset Raman spectroscopy	4
Modeling the vibrational spectroscopy of carbonmonoxymyoglobin using DFT and molecular dynamics	4
Generic prediction model of moisture content for maize kernels by combing spectral and color data through hyperspectral imaging	4
Uncovering the vibrational modes of zwitterion glycine in aqueous solution	4
Probing the Effects of Plasma‐Treated Water Solutions on Healthy and Head and Neck Cancer Cells via FTIR and Raman Spectroscopy	4
Editorial Board	4
Noninvasive in vivo application of confocal Raman spectroscopy in identifying age-related biochemical changes in human stratum corneum and epidermis	3
Vibrational probes of anharmonic interactions in the molecular ferroelectric 2-methylbenzimidazole	3
Machine learning algorithms for in-line monitoring during yeast fermentations based on Raman spectroscopy	3
Deep learning methods for oral cancer detection using Raman spectroscopy	3
Analysis of the X-ray induced changes in lipids extracted from hepatocarcinoma cells by means of ATR-FTIR spectroscopy	3
Cleavage of disulfide bonds used to reveal manifestation of tertiary structure in the Raman spectra of proteins	3
Ensure the authenticity of antibiotic vials: An independent testing protocol using attenuated total reflection infrared spectroscopy and Raman spectroscopy	3
Harnessing the past: Vibration analysis of organic additives in ancient plasters for sustainable building solutions	3
Editorial Board	3
A feasibility study on improving the non-destructive detection accuracy of Huping jujube (Ziziphus jujuba Mill. cv. Huping) damage degree using near infrared spectroscopy	3
Clinical detection of total homocysteine in human serum using surface-enhanced Raman spectroscopy	3
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	3
The morphology dependent plasmonic optics of urchin-like gold nanoparticles in different silver-coating modes	3
Editorial Board	3
Machine learning-assisted FT-IR spectroscopy for identification of pork oil adulteration in tuna fish oil	3
Optimized feature selection and machine learning for non-destructive estimation of soil volumetric water content in Chinese cabbage using hyperspectral imaging	3
Coherent Raman spectroscopy: Quo vadis?	3
Liquid-phase surface enhanced Raman spectroscopic detection of nerve agent motifs using gold nanostars	3
The infrared spectra of primary amides, Part 2. Deuteration of benzamide and hydrogen bonding effects of ortho alkoxybenzamides	3
Multivariable prediction of concentration and temperature pressure from absorption spectra using B-LSTM-transformer model	3
Editorial Board	3
Rapid evaluation of milk acidity and identification of milk adulteration by Raman spectroscopy combined with chemometrics analysis	3
Editorial	3
Identification of environmental microplastics using large language models: DeepSeek-R1-Distill-Llama-8B, GPT-4o, and GPT-4o-mini	3
Discriminant analysis of a mixture of pathogenic bacteria into different types and proportions by surface-enhanced Raman scattering spectroscopy combined with chemometric methods	3
Throughput-enhanced grating spectrometers for fiber-optic Raman detection with deep learning-based spectral recovery	3
ATR FTIR combined with PCA as a tool to determine metabolic changes in the vetch root nodules after treatment with a Nod-factor-based biofertilizer	3
Pilot study on FT-IR and GC analysis of inhalant substances (thinners and glues) for forensic purpose	3
Editorial Board	3
Evaluation of pesticide acetamiprid on Candida parapsilosis biofilm using Raman spectroscopy	3
Near infrared spectroscopy for simultaneous quantification of five chemical components in Arnebiae Radix (AR) with partial least squares and support vector machine algorithms	3