Vibrational Spectroscopy

Article	Citations
Influence of dielectric environments on Raman non-coincidence effects in the C O stretching and NH2 bending modes of formamide	64
The research on the molecular spectroscopic recognition mechanism of microplastics in typical agricultural media	57
Point-and-shoot: portable Raman and SERS detection of organic gunshot residue analytes	53
The effect of temperature on the identification of NIR animal fats and oils species and its mechanism	48
Editorial Board	46
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	36
Sputter deposited silver film as an alternative tool for Raman signal enhancement in plasma-activated water	34
Calorimetric and Raman spectroscopic studies of zwitterionic and anionic membrane interactions of phenolic compound coumarin	32
Band selection using oppositional whale optimization for hyperspectral image classification	31
Analysis of the polyether aqueous solution with temperature dependent NIR spectra	30
In vivo confocal Raman spectroscopy investigation of glabridin liposomes dermal penetration process in human skin	28
Spectroscopic review of hydrogenated, carbonated and oxygenated group IV alloys	27
Editorial Board	27
New trends in gold nanostructure-based SERS substrate: From fundamental to biomedical applications	26
Stability of low-pressure and high-pressure CaGa2O4 polymorphs at elevated temperatures: Raman spectroscopic study	25
Diving into colours: A multi-analytical approach to a 16th century drawing by Gherardo Cibo	24
Preliminary study of estradiol and progesterone detection based on terahertz spectroscopy	22
MSNNet: Multi-scale-abled networks with multi-groups channel attention for vibrational spectrum matching	21
Garlic bulb classification by combining Raman spectroscopy and machine learning	21
Comparative study of the hydrogen bonding properties between allyl-functionalized/non-functionalized ionic liquids and DMSO	21
Hyper-coordinated iodine in HIO3 under pressure	21
Quantitative analysis of pyrazinamide polymorphs in ternary mixtures by ATR-FTIR and Raman spectroscopy with multivariate calibration	21
In situ FTIR investigation of CO2 adsorption over MgO–Impregnated NaY zeolites	20
Simultaneous qualitative and quantitative analyses of pesticide residues on fruit peels with ATR-FTIR spectroscopy and multi-task learning	20
Rapid identification of total phenolic content levels in boletes by two-dimensional correlation spectroscopy combined with deep learning	20

Development of homogeneous flexible substrates and evaluation of SERS performance for anionic and cationic dyes	20
The usage of ATR-FTIR spectroscopy combined with chemometrics in postmortem diagnosis of acute myocardial infarction	20
Editorial Board	20
Explanation and prediction for the product of trehalose dihydrate selective dehydration process using mid-frequency Raman difference spectra	19
Mid-infrared gas absorption spectroscopy using a silicon germanium waveguide based chirped supercontinuum	18
Comparative study of linear and nonlinear calibration algorithm for extrapolation ability of near infrared spectroscopy quantitative analysis	18
The detection of SF6 decomposition components SO2F2, SOF2 using mid-infrared TDLAS at 6.635 µm and 7.462 µm	18
Unveiling intra-skeletal variability in mature and immature human skeletal remains via ATR-FTIR spectroscopy	18
FT-IR study on ambers produced from the Tohoku and Hokkaido regions in Japan	17
Accuracy of DFT quadrature grids for the computation of quantum anharmonic vibrational spectroscopy	17
Near infrared spectroscopy and multivariate statistical analysis as rapid tools for the geographical origin assessment of Italian hazelnuts	16
Mechanisms of formation of polyene structures in radiation-functionalized PVC-MWCNT polymer nanocomposites	16
Editorial Board	16
Estimation of foliar glucose content of areca palm by a smartphone app and Fourier transform infrared spectroscopy based multivariate modeling	15
Effect of hypolipidemic drugs on the process of callus formation assessed by Fourier transform infrared spectroscopy	15
Water dimer in CCl4 investigated by in-situ infrared spectroscopy and computational analysis	14
Escherichia coli research on Raman measurement mechanism and diagnostic model	14
The rapid determination of the fatty acid content of rice by combining hyperspectral imaging and integrated learning models	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
IR spectra of the CH3 stretching region of methylamine monomer, dimer and trimer in helium nanodroplets	14
Thermal annealing-boosted photoinduced electron transfer efficiency of g-C3N4/Au NPs hybrids for promoting SERS detection of uric acids	14
Wine composition detection utilizing 1DCNN and the self-attention mechanism	14
Revisiting the Raman disorder band in graphene-based materials: A critical review	13
Influence of indium and arsenic balance on the Raman spectra of GaInAsSb alloys	13
Analysis of the effects of interface reflections on FTIR transmission spectra of thin layer samples	13
Quantitative measurement of trace amoxicillin using SERS under the conditions of controlled agglomeration of silver nanoparticles	13
Fingerprint terahertz spectroscopy combined with machine learning for multicomponent mixture analysis	13
Probing the mesophase formation in thermotropic liquid crystal HBDBA using temperature-dependent Raman spectroscopy and DFT method	13
A rapid determination of wheat flours components based on near infrared spectroscopy and chemometrics	13
Seed-mediated growth of highly concentrated silver nanoparticles on a flexible substrate for applications in SERS-based trace detection	12
Rapid discrimination of Turkish commercial hazelnut (Corylus avellana L.) varieties using Near-Infrared Spectroscopy and chemometrics	12
The influence of temperature on the Ti4+ coordination in sodium titanosilicate melts: In-situ high-temperature Raman spectroscopy study	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
Characterization of art materials and degradation processes in the exterior wall paintings of the main church of Rila Monastery, Bulgaria	12
Study on characteristic peaks of antibiotics and amino acids based on terahertz time-domain spectroscopy	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
Comparison of SVMR and PLSR for ATR-IR data treatment: Application to AQC of mAbs in clinical solutions	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
Machine learning concept in de-spiking process for nuclear resonant vibrational spectra – Automation using no external parameter	11
Study on the dimension correction of juicy peach based on diffuse transmittance online detection	10
Reversible functionalization of germanium by thiol monolayers to probe protein / surface interactions by ATR-FTIR	10
Investigation of Triadimenol fungicide through DFT-based analysis of FT-IR, Raman, and SERS spectra	10
Combination of HPLC and SERS detection applied to the analysis of the trace content of amoxicillin in milk	10
Hydrogen-bonding and symmetry breaking in the protic ionic liquid 1-ethylimidazolium nitrate	10
A variable selection method based on multicollinearity reduction for food origin traceability identification	10
Spectroscopic profiling of lipid and protein alterations in kidney tissue induced by coated MoS2 quantum dots	10
Molecular interaction of curcumin with silver nanocluster: A DFT study	9
Large-scale assembly and pattern transfer of SERS-active nanoparticles for application in drug monitoring of methotrexate in blood serum	9

Application of deep raman spectroscopy to detect ammonium nitrate concealed in color fabrics	9
Green fabrication of Au nanoparticles as SERS-active substrate for enhancement hydroquinone detection in cosmetics	9
Use of polarized ATR measurements to simplify referencing in continuous sample monitoring by absorption spectroscopy	9
Pb intoxicated biomolecular changes in Cladonia convoluta studied using 2DCOS infrared spectroscopy coupled with chemometric analysis	9
Toxicity of aristolochic acid in a rat model investigated by Fourier transform infrared spectroscopy combined with chemometric analysis: An exploratory study	8
Editorial Board	8
An modified RamanNet model integrated with serum Raman spectroscopy for breast cancer screening	8
Surface-enhanced Raman scattering of graphene oxide chemically modified by perylene diimide	8
Synthesis of recyclable SERS platform based on magnetic Fe3O4/mTiO2/Ag composites for photodegradation and identification of organic pollutants in different water samples	8
Raman study of photoinduced crystallization of SnS2 in As2S3:Sn glasses	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
Enhancement of species-specific analysis for meat and bone meal by matrix fragments-related spectral fusion	8
Raman spectroscopic measurement guidelines for carbon isotopic composition of CO2	8
Blood collection tube components interference on spectral signatures of chronic kidney disease probed by micro-reflectance Fourier-transform infrared spectroscopy on serum	8
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	8
Emerging trends in vibrational spectroscopy	8
Comparison and optimization of rapid and nondestructive qualitative analysis models based on fourier transform infrared spectroscopy information of drugs	8
New insights of emerald geographic origin determination based on the infrared spectroscopy of D2O and HDO molecules	8
Multimodal deep learning with relative position matrix for simultaneous nitride quantification in water by Raman spectroscopy	8
Spectralomics – Towards a holistic adaptation of label free spectroscopy	8
Fourier-transform infrared spectroscopy for characterization of liquid protein solutions: A comparison of two sampling techniques	8
Editorial Board	7
Structural and spectroscopic properties, solvation effects, intermolecular interactions, and biological assays of a Mn(II)-complex with 1,10-phenanthroline and chloro ligands	7
From molecules to functional materials: A collection of contributions presented at the XVIth International Conference on Molecular Spectroscopy	7
Investigations of black and red figure pottery shards and local clay, excavated at Ainos (Enez-Turkey), by multiple analytical techniques	7
Botanical origin identification and adulteration quantification of honey based on Raman spectroscopy combined with convolutional neural network	7
Quantitative analysis of component contents in AS/PDM composite coagulant by infrared spectroscopy	7
Adaptive noise removal for biological Raman spectra with low SNR	7
Size stable batch mode model updating method	7
Brand identification of transparent intumescent fire retardant coatings using portable Raman spectroscopy and machine learning	7
Thermally activated transformations of the dielectric response function of mono- and disaccharides in the THz range	7
Fast identification of soybean varieties using Raman spectroscopy	7
Spectroscopic identification of amber and fabric in a Roman burial (Carmona, Spain)	7
Gaining insight into protein structure via ATR-FTIR spectroscopy	7
A correction method for mitigating absorbance discrepancies between near-infrared spectrometers through the incorporation of blended carbon-titanium dioxide powder	7
Rapid identification of live and dead Salmonella by surface-enhanced Raman spectroscopy combined with convolutional neural network	7
Rapid determination of the moisture content of triethyleneglycol dinitrate absorption tablets by near-infrared spectroscopy	7
Effect of mechanical impact on the microstructure and IR spectra of cohesive soil	7
Machine learning driven portable Vis-SWNIR spectrophotometer for non-destructive classification of raw tomatoes based on lycopene content	7
Sensitive detection of trilobatin in tea beverages based on hydroxy-functionalized Ag@COF SERS substrate	6
Synthesis of a SERRS substrate based on TiO2 nanotubes films decorated with Ag nanoparticles for anthocyanins species determination in grape skin extracts	6
Rapid analysis of eucalyptus oil adulteration in Moroccan rosemary essential oil via GC-FID and mid-infrared spectroscopy	6
Rapid identification of cocrystal components of explosives based on Raman spectroscopy and principal component analysis	6
A multidisciplinary approach to investigate the peculiar artistic technique of Scagliola: Modern age decorations in Hadrian’s Villa (Tivoli, Italy)	6
Diagnosis of corn leaf diseases by FTIR spectroscopy combined with machine learning	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
Rapid determination of alprazolam in gin tonic cocktails based on the coupling of IR spectroscopy and chemometrics: A feasibility study	6
Multi-analytical investigations on a tomb mural painting of the Yuan dynasty in Chongqing, China	6
CARS spectra of polystyrene sheet at excitation of fs pulses and chirped pulses	6
Surface-enhanced Raman spectroscopy coupled with DFT for sensitive detection of tadalafil in complex matrices	6
Changes in the structure of hard tissues of the lower third molars at different stages of eruption according to IR spectroscopy data	6
Development of non-invasive diagnosis based on FTIR spectroscopy	6
Biomarker Raman bands of estradiol, follicle-stimulating, luteinizing, and progesterone hormones in blood	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
Local structure of hydrated nanocrystalline films of the proton conductor BaZr1-Sc O3-/2 studied by infrared spectroscopy	5
DeltaPCA: A statistically robust method for analysing surface-enhanced Raman spectra for quantitative analyte detection	5
Editorial Board	5
Spectral denoising approach using enhanced wavelet packet-optimized EEMD algorithm	5
Spectral comparison of nanoporous silica-adsorbed organic molecules with gaseous and liquid states using a new waveguide technology	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
Research progress and the application of near-infrared spectroscopy in protein structure and molecular interaction analysis	5
The infrared spectra of amides. Part 1. The stretching vibrations of primary carboxamides	5
TMB-AgNPs@COF based SERS probe for the rapid detection of glucose in drinks	5
Anomalous LO-TO splitting observed by combined IR reflectance and Raman scattering in KTiOPO4 (KTP) single crystal	5
Raman spectroscopic study of dehydration reactions between boric acid and aliphatic dihydric alcohols in solution	5
Evolution of Raman and photoluminescence spectral characteristics of monolayer CVD-MoS2 over a wide temperature range	5
Editorial Board	5
Combining micro-infrared reflection absorption spectroscopy with density functional theory for investigating the adsorption of organic friction modifiers on steel surfaces	5
A novel infrared spectral preprocessing method based on self-deconvolution and differentiation in the frequency domain	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
Synthesis, structural and spectral investigations of an optically active E-N′-(3,4-dimethoxybenzylidene)− 4-fluorobenzohydrazide crystal	5
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
The feasibility of using ATR-FTIR spectroscopy combined with one-class support vector machine in screening turmeric powders	5
The calculation of energy-factored force constants for fac‑Re(CO)3(N‑N)(X) molecules and related complexes	5
Determining the geographical origin and glycogen content of oysters using portable near-infrared spectroscopy: Comparison of classification and regression approaches	5
Raman and ab initio study of intermolecular interactions in aniline	4
Prediction of the probability of metastasis to the sentinel lymph node in breast cancer by ATR-FTIR spectroscopy and chemometrics	4
Spectral classification analysis of recycling plastics of small household appliances based on infrared spectroscopy	4

Editorial Board	4
Lightweight double attention neural network based on Raman spectroscopy for diagnosis of osteoporosis	4
Rapid discrimination of eucalypt species using a handheld near-infrared instrument	4
A combined spectroscopic investigation of cobalt oxide films prepared by DC reactive sputtering	4
Discovery of calcium sulfate at different hydration states on Mars - based on perseverance SHERLOC analysis	4
ATR-FTIR spectroscopy combined with machine learning for classification of PVA/PVP blends in low concentration	4
A new method for evaluating the penetration ability of near infrared diffuse reflectance light to fruit peel with chemometrics	4
Vibrational spectroscopic studies, DFT, and molecular docking investigations of 4-fluoro- 3-methyl benzophenone	4
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	4
Optimization of shell-isolated nanoparticle-enhanced Raman spectroscopy experiments with silver core-silica shell nanoparticles	4
Authentication analysis of animal fats adulteration in nail polish simulation using Raman spectroscopy coupled with chemometrics	4
Flexible Ag NCs/CNFs film for colorimetric and SERS dual-mode ultrasensitive detection of mercury ions (II)	4
An automatic baseline correction method based on reweighted penalised least squares method for non-sensitive areas	4
Compositional and structural characterization of dorsal root ganglion neurons and co-cultured Schwann cells by confocal Raman microspectral imaging	4
Raman imaging studies on the stability of Paracetamol tablets under different storage conditions	4
Editorial Board	4
Conformational, structural and vibrational studies of estragole	4
Improved SVR based on CARS and BAS for hydrocarbon concentration detection	4
Fabrication of sea urchin-like Au@SiO2 nanoparticles SERS substrate for the determination of malachite green in tilapia	4
Single convolutional neural network model for multiple preprocessing of Raman spectra	4
Editorial Board	4
Rapid determination of adulteration of clove essential oil with benzyl alcohol and ethyl acetate: Towards quality control analysis by FTIR with chemometrics	4
Preparation and characterization of 5-fluorouracil drug cocrystal and its dynamic monitoring of cocrystallization process via SERS spectroscopy	4
Vibrational relaxation of monomeric and self-associated acrylonitrile species in solutions	4
Influence of the computational methods in the conformational assignment of experimental infrared spectra	4
Pocket-size near-IR spectrometers for rapid examination of contaminated textile fibres at the crime-scene	4
Editorial Board	4
Vibrational probes of anharmonic interactions in the molecular ferroelectric 2-methylbenzimidazole	3
Editorial	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
Application of 13CH4 double model online analysis method based on Fourier Transform Infrared Spectroscopy in energy exploration	3
Clinical detection of total homocysteine in human serum using surface-enhanced Raman spectroscopy	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
Noninvasive in vivo application of confocal Raman spectroscopy in identifying age-related biochemical changes in human stratum corneum and epidermis	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
Rapid evaluation of milk acidity and identification of milk adulteration by Raman spectroscopy combined with chemometrics analysis	3
The morphology dependent plasmonic optics of urchin-like gold nanoparticles in different silver-coating modes	3
Short-range antiferromagnetic interaction and spin-phonon coupling in La2CoMnO6 double perovskite	3
Uncovering the vibrational modes of zwitterion glycine in aqueous solution	3
SERS detection of negatively charged molecules by interface-induced self-assembly of PDDA modified Ag nanoparticles	3
Editorial Board	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
Machine learning-assisted FT-IR spectroscopy for identification of pork oil adulteration in tuna fish oil	3
Analysis of the X-ray induced changes in lipids extracted from hepatocarcinoma cells by means of ATR-FTIR spectroscopy	3
Editorial Board	3
Generic prediction model of moisture content for maize kernels by combing spectral and color data through hyperspectral imaging	3
Modeling the vibrational spectroscopy of carbonmonoxymyoglobin using DFT and molecular dynamics	3
Qualitative and quantitative studies of multicomponent gas by CNN-KPCA-RF model	3
Evaluating the detection of cocaine and its impurities concealed inside fruit- and vegetable- food products using handheld spatially offset Raman spectroscopy	3
Deep learning methods for oral cancer detection using Raman spectroscopy	3
The infrared spectra of primary amides, Part 2. Deuteration of benzamide and hydrogen bonding effects of ortho alkoxybenzamides	3
Identification of environmental microplastics using large language models: DeepSeek-R1-Distill-Llama-8B, GPT-4o, and GPT-4o-mini	3
Machine learning algorithms for in-line monitoring during yeast fermentations based on Raman spectroscopy	3
Pigment identification of prehispanic ceramics during Inka occupation (Catamarca, Argentina) using non-invasive spectroscopy (Infrared-Raman)	3