Vibrational Spectroscopy

Article	Citations
Editorial Board	60
The research on the molecular spectroscopic recognition mechanism of microplastics in typical agricultural media	52
Influence of dielectric environments on Raman non-coincidence effects in the C O stretching and NH2 bending modes of formamide	47
Sputter deposited silver film as an alternative tool for Raman signal enhancement in plasma-activated water	44
The effect of temperature on the identification of NIR animal fats and oils species and its mechanism	43
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	40
Point-and-shoot: portable Raman and SERS detection of organic gunshot residue analytes	37
Garlic bulb classification by combining Raman spectroscopy and machine learning	32
Spectroscopic review of hydrogenated, carbonated and oxygenated group IV alloys	30
Band selection using oppositional whale optimization for hyperspectral image classification	29
In situ FTIR investigation of CO2 adsorption over MgO–Impregnated NaY zeolites	28
MSNNet: Multi-scale-abled networks with multi-groups channel attention for vibrational spectrum matching	28
Quantitative analysis of pyrazinamide polymorphs in ternary mixtures by ATR-FTIR and Raman spectroscopy with multivariate calibration	27
Hyper-coordinated iodine in HIO3 under pressure	26
Editorial Board	26
Stability of low-pressure and high-pressure CaGa2O4 polymorphs at elevated temperatures: Raman spectroscopic study	24
Preliminary study of estradiol and progesterone detection based on terahertz spectroscopy	24
Diving into colours: A multi-analytical approach to a 16th century drawing by Gherardo Cibo	21
Comparative study of the hydrogen bonding properties between allyl-functionalized/non-functionalized ionic liquids and DMSO	21
Analysis of the polyether aqueous solution with temperature dependent NIR spectra	21
Rapid identification of total phenolic content levels in boletes by two-dimensional correlation spectroscopy combined with deep learning	20
Calorimetric and Raman spectroscopic studies of zwitterionic and anionic membrane interactions of phenolic compound coumarin	20
New trends in gold nanostructure-based SERS substrate: From fundamental to biomedical applications	20
In vivo confocal Raman spectroscopy investigation of glabridin liposomes dermal penetration process in human skin	20
Development of homogeneous flexible substrates and evaluation of SERS performance for anionic and cationic dyes	19

Mid-infrared gas absorption spectroscopy using a silicon germanium waveguide based chirped supercontinuum	19
Simultaneous qualitative and quantitative analyses of pesticide residues on fruit peels with ATR-FTIR spectroscopy and multi-task learning	19
Explanation and prediction for the product of trehalose dihydrate selective dehydration process using mid-frequency Raman difference spectra	19
Unveiling intra-skeletal variability in mature and immature human skeletal remains via ATR-FTIR spectroscopy	18
The detection of SF6 decomposition components SO2F2, SOF2 using mid-infrared TDLAS at 6.635 µm and 7.462 µm	18
Effect of hypolipidemic drugs on the process of callus formation assessed by Fourier transform infrared spectroscopy	18
Mechanisms of formation of polyene structures in radiation-functionalized PVC-MWCNT polymer nanocomposites	17
Editorial Board	17
Estimation of foliar glucose content of areca palm by a smartphone app and Fourier transform infrared spectroscopy based multivariate modeling	17
Thermal annealing-boosted photoinduced electron transfer efficiency of g-C3N4/Au NPs hybrids for promoting SERS detection of uric acids	16
Accuracy of DFT quadrature grids for the computation of quantum anharmonic vibrational spectroscopy	16
Comparative study of linear and nonlinear calibration algorithm for extrapolation ability of near infrared spectroscopy quantitative analysis	16
Near infrared spectroscopy and multivariate statistical analysis as rapid tools for the geographical origin assessment of Italian hazelnuts	16
FT-IR study on ambers produced from the Tohoku and Hokkaido regions in Japan	15
The rapid determination of the fatty acid content of rice by combining hyperspectral imaging and integrated learning models	15
Escherichia coli research on Raman measurement mechanism and diagnostic model	14
Influence of indium and arsenic balance on the Raman spectra of GaInAsSb alloys	14
IR spectra of the CH3 stretching region of methylamine monomer, dimer and trimer in helium nanodroplets	14
Water dimer in CCl4 investigated by in-situ infrared spectroscopy and computational analysis	14
Quantitative measurement of trace amoxicillin using SERS under the conditions of controlled agglomeration of silver nanoparticles	14
Fingerprint terahertz spectroscopy combined with machine learning for multicomponent mixture analysis	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	13
Wine composition detection utilizing 1DCNN and the self-attention mechanism	13
A rapid determination of wheat flours components based on near infrared spectroscopy and chemometrics	13
Probing the mesophase formation in thermotropic liquid crystal HBDBA using temperature-dependent Raman spectroscopy and DFT method	12
Analysis of the effects of interface reflections on FTIR transmission spectra of thin layer samples	12
Seed-mediated growth of highly concentrated silver nanoparticles on a flexible substrate for applications in SERS-based trace detection	12
Revisiting the Raman disorder band in graphene-based materials: A critical review	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
FT-IR analysis of tilapia fillets: Developing PLS models for the prediction of storage days, aerobic plate count, and lactobacilli	11
Study on characteristic peaks of antibiotics and amino acids based on terahertz time-domain spectroscopy	11
Characterization of art materials and degradation processes in the exterior wall paintings of the main church of Rila Monastery, Bulgaria	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
The influence of temperature on the Ti4+ coordination in sodium titanosilicate melts: In-situ high-temperature Raman spectroscopy study	11
Rapid discrimination of Turkish commercial hazelnut (Corylus avellana L.) varieties using Near-Infrared Spectroscopy and chemometrics	11
Machine learning concept in de-spiking process for nuclear resonant vibrational spectra – Automation using no external parameter	11
Comparison of SVMR and PLSR for ATR-IR data treatment: Application to AQC of mAbs in clinical solutions	11
Large-scale assembly and pattern transfer of SERS-active nanoparticles for application in drug monitoring of methotrexate in blood serum	10
Investigation of Triadimenol fungicide through DFT-based analysis of FT-IR, Raman, and SERS spectra	10
Infrared phenomics with 2D-COS unveils spatial heterogeneity and chemical evolution in a microbial biofilm	10
Study on the dimension correction of juicy peach based on diffuse transmittance online detection	10
Green fabrication of Au nanoparticles as SERS-active substrate for enhancement hydroquinone detection in cosmetics	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
Application of deep raman spectroscopy to detect ammonium nitrate concealed in color fabrics	9
Selective excitation CARS spectroscopy: An efficient method for analysis of vibrational coupling and intramolecular vibrational energy transfer	9
Comparison and optimization of rapid and nondestructive qualitative analysis models based on fourier transform infrared spectroscopy information of drugs	9
Spectroscopic profiling of lipid and protein alterations in kidney tissue induced by coated MoS2 quantum dots	9

Toxicity of aristolochic acid in a rat model investigated by Fourier transform infrared spectroscopy combined with chemometric analysis: An exploratory study	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
Editorial Board	9
Molecular interaction of curcumin with silver nanocluster: A DFT study	9
Emerging trends in vibrational spectroscopy	9
Reversible functionalization of germanium by thiol monolayers to probe protein / surface interactions by ATR-FTIR	9
Raman spectroscopic measurement guidelines for carbon isotopic composition of CO2	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
Enhancement of species-specific analysis for meat and bone meal by matrix fragments-related spectral fusion	8
Raman study of photoinduced crystallization of SnS2 in As2S3:Sn glasses	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
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
Editorial Board	7
Rapid determination of the moisture content of triethyleneglycol dinitrate absorption tablets by near-infrared spectroscopy	7
Size stable batch mode model updating method	7
Effect of mechanical impact on the microstructure and IR spectra of cohesive soil	7
Investigations of black and red figure pottery shards and local clay, excavated at Ainos (Enez-Turkey), by multiple analytical techniques	7
Blood collection tube components interference on spectral signatures of chronic kidney disease probed by micro-reflectance Fourier-transform infrared spectroscopy on serum	7
An modified RamanNet model integrated with serum Raman spectroscopy for breast cancer screening	7
Fourier-transform infrared spectroscopy for characterization of liquid protein solutions: A comparison of two sampling techniques	7
Gaining insight into protein structure via ATR-FTIR spectroscopy	7
Surface-enhanced Raman scattering of graphene oxide chemically modified by perylene diimide	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
Thermally activated transformations of the dielectric response function of mono- and disaccharides in the THz range	7
A correction method for mitigating absorbance discrepancies between near-infrared spectrometers through the incorporation of blended carbon-titanium dioxide powder	7
Spectralomics – Towards a holistic adaptation of label free spectroscopy	7
Adaptive noise removal for biological Raman spectra with low SNR	7
Brand identification of transparent intumescent fire retardant coatings using portable Raman spectroscopy and machine learning	7
Machine learning driven portable Vis-SWNIR spectrophotometer for non-destructive classification of raw tomatoes based on lycopene content	7
Multi-analytical investigations on a tomb mural painting of the Yuan dynasty in Chongqing, China	7
Quantitative analysis of component contents in AS/PDM composite coagulant by infrared spectroscopy	7
From molecules to functional materials: A collection of contributions presented at the XVIth International Conference on Molecular Spectroscopy	7
Fast identification of soybean varieties using Raman spectroscopy	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
New insights of emerald geographic origin determination based on the infrared spectroscopy of D2O and HDO molecules	7
Spectroscopic identification of amber and fabric in a Roman burial (Carmona, Spain)	7
Botanical origin identification and adulteration quantification of honey based on Raman spectroscopy combined with convolutional neural network	6
A multidisciplinary approach to investigate the peculiar artistic technique of Scagliola: Modern age decorations in Hadrian’s Villa (Tivoli, Italy)	6
Synthesis of a SERRS substrate based on TiO2 nanotubes films decorated with Ag nanoparticles for anthocyanins species determination in grape skin extracts	6
Sensitive detection of trilobatin in tea beverages based on hydroxy-functionalized Ag@COF SERS substrate	6
Combining micro-infrared reflection absorption spectroscopy with density functional theory for investigating the adsorption of organic friction modifiers on steel surfaces	6
Rapid identification of live and dead Salmonella by surface-enhanced Raman spectroscopy combined with convolutional neural network	6
Diagnosis of corn leaf diseases by FTIR spectroscopy combined with machine learning	6
CARS spectra of polystyrene sheet at excitation of fs pulses and chirped pulses	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
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
Development of non-invasive diagnosis based on FTIR spectroscopy	6
Surface-enhanced Raman spectroscopy coupled with DFT for sensitive detection of tadalafil in complex matrices	6
Spectral comparison of nanoporous silica-adsorbed organic molecules with gaseous and liquid states using a new waveguide technology	6
Rapid analysis of eucalyptus oil adulteration in Moroccan rosemary essential oil via GC-FID and mid-infrared spectroscopy	6
Research progress and the application of near-infrared spectroscopy in protein structure and molecular interaction analysis	5
Explanation and prediction for the crystallized products from amorphous bicalutamide and bicalutamide solutions by using mid-frequency Raman difference spectra	5
Changes in the structure of hard tissues of the lower third molars at different stages of eruption according to IR spectroscopy data	5
Rapid identification of cocrystal components of explosives based on Raman spectroscopy and principal component analysis	5
Concentration-dependent structure of mixed (NH4)2SO4 and K2SO4 aqueous solutions using the X-ray diffraction, Raman spectroscopy and molecular dynamics simulations	5
A novel infrared spectral preprocessing method based on self-deconvolution and differentiation in the frequency domain	5
Spectral denoising approach using enhanced wavelet packet-optimized EEMD algorithm	5
In-situ ATR-IR monitoring of hydrothermal carbonation of wollastonite	5
Fabrication of sea urchin-like Au@SiO2 nanoparticles SERS substrate for the determination of malachite green in tilapia	5
Editorial Board	5
Editorial Board	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
The infrared spectra of amides. Part 1. The stretching vibrations of primary carboxamides	5
Evolution of Raman and photoluminescence spectral characteristics of monolayer CVD-MoS2 over a wide temperature range	5
Trace level detection of the azo base of organic dye by surface-enhanced Raman spectroscopy	5
Synthesis, structural and spectral investigations of an optically active E-N′-(3,4-dimethoxybenzylidene)− 4-fluorobenzohydrazide crystal	5
Determining the geographical origin and glycogen content of oysters using portable near-infrared spectroscopy: Comparison of classification and regression approaches	5
Biomarker Raman bands of estradiol, follicle-stimulating, luteinizing, and progesterone hormones in blood	5
The calculation of energy-factored force constants for fac‑Re(CO)3(N‑N)(X) molecules and related complexes	5
The feasibility of using ATR-FTIR spectroscopy combined with one-class support vector machine in screening turmeric powders	5
Single convolutional neural network model for multiple preprocessing of Raman spectra	4
Improved SVR based on CARS and BAS for hydrocarbon concentration detection	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
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
Spectral classification analysis of recycling plastics of small household appliances based on infrared spectroscopy	4
Pocket-size near-IR spectrometers for rapid examination of contaminated textile fibres at the crime-scene	4
Editorial Board	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
Local structure of hydrated nanocrystalline films of the proton conductor BaZr1-Sc O3-/2 studied by infrared spectroscopy	4
Raman spectroscopic study of dehydration reactions between boric acid and aliphatic dihydric alcohols in solution	4
Nondestructive and rapid detection of foreign materials in wolfberry by hyperspectral imaging combing with chemometrics	4
Raman imaging studies on the stability of Paracetamol tablets under different storage conditions	4
Raman and ab initio study of intermolecular interactions in aniline	4
A combined spectroscopic investigation of cobalt oxide films prepared by DC reactive sputtering	4
ATR-FTIR spectroscopy combined with machine learning for classification of PVA/PVP blends in low concentration	4
Optimization of shell-isolated nanoparticle-enhanced Raman spectroscopy experiments with silver core-silica shell nanoparticles	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
Editorial Board	4
Anomalous LO-TO splitting observed by combined IR reflectance and Raman scattering in KTiOPO4 (KTP) single crystal	4
DeltaPCA: A statistically robust method for analysing surface-enhanced Raman spectra for quantitative analyte detection	4
Conformational, structural and vibrational studies of estragole	4
Evaluating the detection of cocaine and its impurities concealed inside fruit- and vegetable- food products using handheld spatially offset Raman spectroscopy	4
Authentication analysis of animal fats adulteration in nail polish simulation using Raman spectroscopy coupled with chemometrics	4
Editorial Board	4
Prediction of the probability of metastasis to the sentinel lymph node in breast cancer by ATR-FTIR spectroscopy and chemometrics	4
Vibrational relaxation of monomeric and self-associated acrylonitrile species in solutions	4
Vibrational spectroscopic studies, DFT, and molecular docking investigations of 4-fluoro- 3-methyl benzophenone	4
TMB-AgNPs@COF based SERS probe for the rapid detection of glucose in drinks	4
A new method for evaluating the penetration ability of near infrared diffuse reflectance light to fruit peel with chemometrics	4
Short-range antiferromagnetic interaction and spin-phonon coupling in La2CoMnO6 double perovskite	3
Flexible Ag NCs/CNFs film for colorimetric and SERS dual-mode ultrasensitive detection of mercury ions (II)	3
SERS detection of negatively charged molecules by interface-induced self-assembly of PDDA modified Ag nanoparticles	3
Mineralogical analysis and firing temperature of the ancient potteries of Tamil Nadu using spectroscopic techniques	3
Application of 13CH4 double model online analysis method based on Fourier Transform Infrared Spectroscopy in energy exploration	3
Machine learning algorithms for in-line monitoring during yeast fermentations based on Raman spectroscopy	3
Clinical detection of total homocysteine in human serum using surface-enhanced Raman spectroscopy	3
Rapid evaluation of milk acidity and identification of milk adulteration by Raman spectroscopy combined with chemometrics analysis	3
Editorial	3
Rapid determination of adulteration of clove essential oil with benzyl alcohol and ethyl acetate: Towards quality control analysis by FTIR with chemometrics	3
Qualitative and quantitative studies of multicomponent gas by CNN-KPCA-RF model	3
Rapid discrimination of eucalypt species using a handheld near-infrared instrument	3
Modeling the vibrational spectroscopy of carbonmonoxymyoglobin using DFT and molecular dynamics	3
Noninvasive in vivo application of confocal Raman spectroscopy in identifying age-related biochemical changes in human stratum corneum and epidermis	3
Pigment identification of prehispanic ceramics during Inka occupation (Catamarca, Argentina) using non-invasive spectroscopy (Infrared-Raman)	3
Editorial Board	3
Deep learning methods for oral cancer detection using Raman spectroscopy	3
Generic prediction model of moisture content for maize kernels by combing spectral and color data through hyperspectral imaging	3
Vibrational probes of anharmonic interactions in the molecular ferroelectric 2-methylbenzimidazole	3
An automatic baseline correction method based on reweighted penalised least squares method for non-sensitive areas	3
Editorial Board	3
Uncovering the vibrational modes of zwitterion glycine in aqueous solution	3
Preparation and characterization of 5-fluorouracil drug cocrystal and its dynamic monitoring of cocrystallization process via SERS spectroscopy	3
The morphology dependent plasmonic optics of urchin-like gold nanoparticles in different silver-coating modes	3
Tracing commercial coffee quality by infrared spectroscopy in tandem with pattern recognition approaches	3
Editorial Board	3
Simultaneous detection of dual food adulterants using graphene oxide and gold nanoparticle based surface enhanced Raman scattering duplex DNA biosensor	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