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Colloidal gold clusters formation and chemometrics for direct SERS determination of bioanalytes in complex media

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On‐off‐on Control of Molecular Inversion Symmetry via Multi‐stage Protonation: Elucidating Vibronic Laporte Rule

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Multivariate Chemometric Methods and Vis-Nir Spectrophotometry for Monitoring Plutonium-238 Anion Exchange Column Effluent in a Radiochemical Hot Cell

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Buildup of Triplet-State Population in Operating TQ1:PC71BM Devices Does Not Limit Their Performance

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Redox and Kinetic Properties of Composition‐Dependent Active Sites in Copper‐Exchanged Chabazite for Direct Methane‐to‐Methanol Oxidation

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Comparison of near infrared spectroscopy and Raman spectroscopy for the identification and quantification through MCR-ALS and PLS of peanut oil adulterants

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Leveraging visible and near-infrared spectroelectrochemistry to calibrate a robust model for Vanadium(IV/V) in varying nitric acid and temperature levels

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ACS Omega, 2024
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Resampling as a Robust Measure of Model Complexity in PARAFAC Models

Helene Fog Froriep Halberg, Marta Bevilacqua and Åsmund Rinnan

Journal of Chemometrics, 2024, 38
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Data fusion approaches in spectroscopic characterization and classification of PDO wine vinegars

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Fourier-transform infrared imaging and multivariate analysis for direct identification of principal polysaccharides in brown seaweeds

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Carbohydrate Polymers, 2020, 230, 115561
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The influence of Mg(II) and Ca(II) ions on the autoxidation of 4-methylcatechol in weakly alkaline aqueous solutions

Milica G. Nikolić, Nenad S. Krstić, Slavoljub C. Živanović and Goran M. Nikolić

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LiCrxFeyMn2−x−y−zTizO4 Spinels as Cathodes for Li‐Ion Batteries: A Multidoping Approach to Suppress Jahn–Teller Distortion

Daniele Callegari, Mauro Coduri, Mattia Canini, Luca Olivi, Maurizio Polentarutti, Giorgio Bais, Paolo Ghigna, Umberto Anselmi‐Tamburini and Martina Fracchia

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Efficient Quantification of Milk Metabolites from 1H NMR Spectra Using the Signature Mapping (SigMa) Approach: Chemical Shift Library Development for Cows’ Milk and Colostrum

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First in situ temperature quantification of CoMoS species upon gas sulfidation enabled by new insight on cobalt sulfide formation

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Catalysis Today, 2021, 377, 114
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Pecularities of XANES Simulations for Cu(II) Sites in Square-Planar Coordination in Cu-Exchanged Zeolites

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Multi-excitation hyperspectral autofluorescence imaging for the exploration of biological samples

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Analytica Chimica Acta, 2019, 1062, 47
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Uncoated gold nanoparticles create fewer and less localized defects in model prokaryotic than in model eukaryotic lipid membranes

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Chemometrics, Comprehensive Two-Dimensional gas chromatography and “omics” sciences: Basic tools and recent applications

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Adverse Effects of Arsenic Uptake in Rice Metabolome and Lipidome Revealed by Untargeted Liquid Chromatography Coupled to Mass Spectrometry (LC-MS) and Regions of Interest Multivariate Curve Resolution

Miriam Pérez-Cova, Romà Tauler and Joaquim Jaumot

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Combining Atomic Layer Deposition with Surface Organometallic Chemistry to Enhance Atomic-Scale Interactions and Improve the Activity and Selectivity of Cu–Zn/SiO2 Catalysts for the Hydrogenation of CO2 to Methanol

Hui Zhou, Scott R. Docherty, Nat Phongprueksathat, Zixuan Chen, Andrey V. Bukhtiyarov, Igor P. Prosvirin, Olga V. Safonova, Atsushi Urakawa, Christophe Copéret, Christoph R. Müller and Alexey Fedorov

JACS Au, 2023, 3, 2536
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Origin of Vanadium Site Sequential Oxidation in KxVPO4F1–yOy

Romain Wernert, Antonella Iadecola, Lorenzo Stievano, Dany Carlier and Laurence Croguennec

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Human Faecal 1H NMR Metabolomics: Evaluation of Solvent and Sample Processing on Coverage and Reproducibility of Signature Metabolites

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Through-container quantitative analysis of hand sanitizers using spatially offset Raman spectroscopy

Nirzari Gupta, Jason D. Rodriguez and Huzeyfe Yilmaz

Commun Chem, 2021, 4
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LIBS and Raman image fusion: An original approach based on the use of chemometric methodologies

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Label-free ex vivo pathological studying on breast cancer tissue by using nonlinear multiphoton and micro-Raman spectral imaging

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Methods for unsupervised contribution analysis of raw EEM data in water monitoring. Contaminant identification and quantification

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Measurement of chemical penetration in skin using Stimulated Raman scattering microscopy and multivariate curve resolution - alternating least squares

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Multiscale and Multimodal Image Fusion. Coping with Differences in Scanned Area and Spatial Resolution for Raman/Fluorescence Images of Labeled Cells

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Structural Dynamics Behind the Formation of α′-Ni3Ga Alloy Nanoparticles from a Ni–Ga Phyllosilicate Dispersed on Silica Using X-ray Probes

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Near infrared hyperspectral imaging and spectral unmixing methods for evaluation of fiber distribution in enriched pasta

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Formation of pre-pore complexes of pneumolysin is accompanied by a decrease in short-range order of lipid molecules throughout vesicle bilayers

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Direct and Energy-Transfer-Mediated Charge-Transfer State Formation and Recombination in Triangulene-Spacer-Perylenediimide Multichromophores: Lessons for Photovoltaic Applications

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Perspective on essential information in multivariate curve resolution

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Hyperspectral full-field quick-EXAFS imaging at the ROCK beamline for monitoring micrometre-sized heterogeneity of functional materials under process conditions

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Real-Time Formation Monitoring of Cocrystals with Different Stoichiometries Using Probe-Type Low-Frequency Raman Spectroscopy

Motoki Inoue, Hiroshi Hisada, Tatsuo Koide, James Carriere, Randy Heyler and Toshiro Fukami

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Direct Tracking of Charge Carrier Drift and Extraction from Perovskite Solar Cells by Means of Transient Electroabsorption Spectroscopy

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Optimization and tracking of coating processes of pellets with polyvinylpyrrolidone solutions in an acoustic levitator

Doris L. Wong, Anna-Lena Wirsching, Kai Betz, Andreas Reinbeck, Hans-Ulrich Moritz and Werner Pauer

Powder Technology, 2020, 360, 1126
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Probing the binding mechanism of capecitabine to human serum albumin using spectrometric methods, molecular modeling, and chemometrics approach

S. Fatemeh Mousavi and Mohammad Hossein Fatemi

Bioorganic Chemistry, 2019, 90, 103037
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Raman identification of single cell component and FMS‐like tyrosine kinase 3‐internal tandem duplications subtype for clinical acute myeloid leukemia

Yimeng Wang, Yihui Wu, Mingbo Chi, Mingxin Li, Sujun Gao, Long Su and Wei Han

J Raman Spectroscopy, 2023, 54, 596
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Data analysis strategies for targeted and untargeted LC-MS metabolomic studies: Overview and workflow

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Saccharomyces cerevisiae does not undergo a quorum sensing-dependent switch of budding pattern

Michela Winters, Violetta Aru, Kate Howell and Nils Arneborg

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Mixture Design PARAFAC HPLC-DAD Metabolomic Fingerprints of Fractionated Organic and Basic Extracts from Erythrina speciosa Andrews Leaves

Patricia Kaori Soares, Gustavo Galo Marcheafave, Adriano de Araújo Gomes, Ieda Spacino Scarminio and Roy Edward Bruns

Chromatographia, 2018, 81, 1189
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In situ evaluation of Ni/CeO2 catalysts synthesized via polymeric precursor method by XAS for CO2 reduction

Matheus S. Assis, Marcela A. Lucas, Valérie Briois and Luiz G. Possato

Applied Catalysis B: Environment and Energy, 2025, 369, 125144
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Supported Binuclear Gold Phosphine Complexes as CO Oxidation Catalysts: Insights into the Formation of Surface‐Stabilized Au Particles

Fabian Rang, Tim Delrieux, Florian Maurer, Franziska Flecken, Jan‐Dierk Grunwaldt and Schirin Hanf

Small Science, 2024, 4
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Lab-on-a-Chip-Surface Enhanced Raman Scattering Combined with the Standard Addition Method: Toward the Quantification of Nitroxoline in Spiked Human Urine Samples

Izabella J. Hidi, Martin Jahn, Karina Weber, Thomas Bocklitz, Mathias W. Pletz, Dana Cialla-May and Juergen Popp

Anal. Chem., 2016, 88, 9173
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Exploratory analysis of hyperspectral imaging data

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Chemometrics and Intelligent Laboratory Systems, 2024, 252, 105174
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The agri-food industrial by-products olive leaves and myrtle pomace exhibit strong protective power against oxidative cellular damage. An in vitro NMR study

Debora Dessì, Giacomo Fais, Paolo Follesa, Søren Balling Engelsen, Giorgia Sarais and Violetta Aru

Food Bioscience, 2025, 74, 107897
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Operando X-ray Absorption Spectroscopy of Co3Mn–CO3 LDH: Formation and Structural Evolution under Electrochemical Conditions

Hani Farhat, Christine Mousty, Vanessa Prevot, Anthony Beauvois, Stéphanie Belin, Valérie Briois and Claude Forano

J. Phys. Chem. C, 2024, 128, 21023
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Raman Microspectroscopic Mapping with Multivariate Curve Resolution–Alternating Least Squares (MCR-ALS) Applied to the High-Pressure Polymorph of Titanium Dioxide, TiO2-II

Joseph P. Smith, Frank C. Smith, Joshua Ottaway, Alexandra E. Krull-Davatzes, Bruce M. Simonson, Billy P. Glass and Karl S. Booksh

Appl Spectrosc, 2017, 71, 1816
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