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Bibliography

1

Abdelhafid Ait Blal, Dusan Stosic, Philippe Bazin, Alexandre Vimont, and Arnaud Travert. Study of the diffusion properties of zeolite mixtures by combined gravimetric analysis, ir spectroscopy and inversion methods (iris). Phys. Chem. Chem. Phys., 25:27170–27180, 2023. URL: http://dx.doi.org/10.1039/D3CP01585H, doi:10.1039/D3CP01585H.

2

Sabina Bijlsma, Hans F. M. Boelens, and Age K. Smilde. Determination of rate constants in second-order kinetics using uv-visible spectroscopy. Applied Spectroscopy, 55(1):77–83, 2001. URL: https://doi.org/10.1366/0003702011951281, arXiv:https://doi.org/10.1366/0003702011951281, doi:10.1366/0003702011951281.

3

Vijaysekhar Chellaboina, Sanjay P. Bhat, Wassim M. Haddad, and Dennis S. Bernstein. Modeling and analysis of mass-action kinetics. IEEE Control Systems Magazine, 29(4):60–78, 2009. doi:10.1109/MCS.2009.932926.

4

Nicolas Coca-Lopez. An intuitive approach for spike removal in raman spectra based on peaks’ prominence and width. Analytica Chimica Acta, 1295:342312, 2024. URL: https://www.sciencedirect.com/science/article/pii/S0003267024001132, doi:https://doi.org/10.1016/j.aca.2024.342312.

5

Alessandro Cultrera and Luca Callegaro. A simple algorithm to find the l-curve corner in the regularisation of ill-posed inverse problems. IOP SciNotes, 1(2):025004, aug 2020. URL: https://dx.doi.org/10.1088/2633-1357/abad0d, doi:10.1088/2633-1357/abad0d.

6

Paul H. C. Eilers. A perfect smoother. Analytical Chemistry, 75(14):3631–3636, 2003. PMID: 14570219. URL: https://doi.org/10.1021/ac034173t, arXiv:https://doi.org/10.1021/ac034173t, doi:10.1021/ac034173t.

7

Paul HC Eilers and Hans FM Boelens. Baseline correction with asymmetric least squares smoothing. Leiden University Medical Centre Report, 1(1):5, 2005.

8

F. N. Fritsch and R. E. Carlson. Monotone piecewise cubic interpolation. SIAM Journal on Numerical Analysis, 17(2):238–246, 1980. URL: https://doi.org/10.1137/0717021, arXiv:https://doi.org/10.1137/0717021, doi:10.1137/0717021.

9

Pierre Helie. Développement d'outils de traitement de données de spectroscopie massives dans le contexte de la dépollution automobile. Theses, Normandie Université, December 2022. URL: https://theses.hal.science/tel-04077817.

10

Joaquim Jaumot, Raimundo Gargallo, Anna de Juan, and Romà Tauler. A graphical user-friendly interface for mcr-als: a new tool for multivariate curve resolution in matlab. Chemometrics and Intelligent Laboratory Systems, 76(1):101–110, 2005. URL: https://www.sciencedirect.com/science/article/pii/S0169743904002874, doi:https://doi.org/10.1016/j.chemolab.2004.12.007.

11

Joaquim Jaumot, Anna de Juan, and Romà Tauler. Mcr-als gui 2.0: new features and applications. Chemometrics and Intelligent Laboratory Systems, 140:1–12, 2015. URL: https://www.sciencedirect.com/science/article/pii/S0169743914002111, doi:https://doi.org/10.1016/j.chemolab.2014.10.003.

12

Shashikant A. Kadam, Stefania Sandoval, Zdeněk Bastl, Karolína Simkovičová, Libor Kvítek, Juraj Jašík, Joanna Elżbieta Olszówka, Stanislav Valtera, Mykhailo Vaidulych, Jaroslava Morávková, Petr Sazama, David Kubička, Arnaud Travert, Jeroen A. van Bokhoven, Alessandro Fortunelli, Armin Kleibert, Martin Kalbáč, and Štefan Vajda. Cyclohexane oxidative dehydrogenation on graphene-oxide-supported cobalt ferrite nanohybrids: effect of dynamic nature of active sites on reaction selectivity. ACS Catalysis, 13(20):13484–13505, 2023. URL: https://doi.org/10.1021/acscatal.3c02592, arXiv:https://doi.org/10.1021/acscatal.3c02592, doi:10.1021/acscatal.3c02592.

13

Yukiteru Katsumoto and Yukihiro Ozaki. Practical algorithm for reducing convex spike noises on a spectrum. Applied Spectroscopy, 57(3):317–322, 2003. PMID: 14658624. URL: https://doi.org/10.1366/000370203321558236, arXiv:https://doi.org/10.1366/000370203321558236, doi:10.1366/000370203321558236.

14

Laura Macchietti, Lucia Casali, Franziska Emmerling, Dario Braga, and Fabrizia Grepioni. Deriving kinetic insights from mechanochemically synthesized compounds using multivariate analysis (mcr-als) of powder x-ray diffraction data. RSC Mechanochem., pages –, 2024. URL: http://dx.doi.org/10.1039/D3MR00013C, doi:10.1039/D3MR00013C.

15

M. Maeder and A. de Juan. 2.16 - two-way data analysis: evolving factor analysis. In Steven D. Brown, Romá Tauler, and Beata Walczak, editors, Comprehensive Chemometrics, pages 261–274. Elsevier, Oxford, 2009. URL: https://www.sciencedirect.com/science/article/pii/B9780444527011000478, doi:https://doi.org/10.1016/B978-044452701-1.00047-8.

16

Marcel Maeder and Andreas D. Zuberbuehler. The resolution of overlapping chromatographic peaks by evolving factor analysis. Analytica Chimica Acta, 181:287–291, 1986. URL: https://www.sciencedirect.com/science/article/pii/S0003267000852484, doi:https://doi.org/10.1016/S0003-2670(00)85248-4.

17

Robert S. McDonald and Jr. Paul A. Wilks. Jcamp-dx: a standard form for exchange of infrared spectra in computer readable form. Applied Spectroscopy, 42(1):151–162, 1988. URL: https://doi.org/10.1366/0003702884428734, arXiv:https://doi.org/10.1366/0003702884428734, doi:10.1366/0003702884428734.

18

Laetitia Oliviero, Arnaud Travert, Elizabeth Dominguez Garcia, Jianjun Chen, and Françoise Maugé. Catalysis by sulfides: advanced ir/co spectroscopy for the identification of the most active sites in hydrodesulfurization reactions. Journal of Catalysis, 403:87–97, 2021. Special issue of Journal of Catalysis in honour of Dr. Henrik Topsøe. URL: https://www.sciencedirect.com/science/article/pii/S0021951721000798, doi:https://doi.org/10.1016/j.jcat.2021.02.018.

19

Nematollah Omidikia, Samira Beyramysoltan, Jamile Mohammad Jafari, Elnaz Tavakkoli, Mahsa Akbari Lakeh, Masoumeh Alinaghi, Mahdiyeh Ghaffari, Somaiyeh Khodadadi Karimvand, Róbert Rajkó, and Hamid Abdollahi. Closure constraint in multivariate curve resolution. Journal of Chemometrics, 32(12):e2975, 2018. e2975 CEM-17-0105.R1. URL: https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/abs/10.1002/cem.2975, arXiv:https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/pdf/10.1002/cem.2975, doi:https://doi.org/10.1002/cem.2975.

20

Laura Hannemose Rieger, Max Wilson, Tejs Vegge, and Eibar Flores. Understanding the patterns that neural networks learn from chemical spectra. ChemRxiv, 2023. doi:10.26434/chemrxiv-2023-8pfk5.

21

Lisa Roach and Michael Guilhaus. Evolving factor analysis in gas chromatography/mass spectrometry—a feasibility study. Organic mass spectrometry, 27(10):1071–1076, 1992. doi:10.1002/oms.1210271017.

22

C.G. Ryan, E. Clayton, W.L. Griffin, S.H. Sie, and D.R. Cousens. Snip, a statistics-sensitive background treatment for the quantitative analysis of pixe spectra in geoscience applications. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 34(3):396–402, 1988. URL: https://www.sciencedirect.com/science/article/pii/0168583X88900638, doi:https://doi.org/10.1016/0168-583X(88)90063-8.

23

Pawel Stelmachowski, Sergey Sirotin, Philippe Bazin, Françoise Maugé, and Arnaud Travert. Speciation of adsorbed co2 on metal oxides by a new 2-dimensional approach: 2d infrared inversion spectroscopy (2d iris). Phys. Chem. Chem. Phys., 15:9335–9342, 2013. URL: http://dx.doi.org/10.1039/C3CP51146D, doi:10.1039/C3CP51146D.

24

Joran Van Turnhout, Domenico Aceto, Arnaud Travert, Philippe Bazin, Frédéric Thibault-Starzyk, Annemie Bogaerts, and Federico Azzolina-Jury. Observation of surface species in plasma-catalytic dry reforming of methane in a novel atmospheric pressure dielectric barrier discharge in situ ir cell. Catal. Sci. Technol., 12:6676–6686, 2022. URL: http://dx.doi.org/10.1039/D2CY00311B, doi:10.1039/D2CY00311B.

25

W. Windig. Spectral data files for self-modeling curve resolution with examples using the simplisma approach. Chemometrics and Intelligent Laboratory Systems, 36(1):3–16, 1997. URL: https://www.sciencedirect.com/science/article/pii/S0169743996000615, doi:https://doi.org/10.1016/S0169-7439(96)00061-5.

26

Mahdi Yonesi, Milagros Ramos, Carmen Ramirez-Castillejo, Rocio Fernández-Serra, Fivos Panetsos, Adrian Belarra, Margarita Chevalier, Francisco J. Rojo, José Pérez-Rigueiro, Gustavo V. Guinea, and Daniel Gonzalez-Nieto. FTIR dataset from the article "Resistance to Degradation of Silk Fibroin Hydrogels Exposed to Neuroinflammatory Environments". May 2023. URL: https://doi.org/10.5281/zenodo.7921117, doi:10.5281/zenodo.7921117.

27

Vladimir Zholobenko, Cátia Freitas, Martin Jendrlin, Philippe Bazin, Arnaud Travert, and Frederic Thibault-Starzyk. Probing the acid sites of zeolites with pyridine: quantitative agir measurements of the molar absorption coefficients. Journal of Catalysis, 385:52–60, 2020. URL: https://www.sciencedirect.com/science/article/pii/S0021951720300865, doi:https://doi.org/10.1016/j.jcat.2020.03.003.

28

Stijn Van Daele, Delphine Minoux, Nikolai Nesterenko, Sylvie Maury, Vincent Coupard, Valentin Valtchev, Arnaud Travert, and Jean-Pierre Gilson. A highly selective fer-based catalyst to produce n-butenes from isobutanol. Applied Catalysis B: Environmental, 284:119699, 2021. URL: https://www.sciencedirect.com/science/article/pii/S0926337320311164, doi:https://doi.org/10.1016/j.apcatb.2020.119699.