1. Kalinkova, G.N. Infrared spectroscopy in pharmacy. Vib. Spectrosc. 1999, 19(2), 307-320. DOI: 10.1016/S0924-2031(99)00017-X
2. Szczepaniak, W. Metody instrumentalne w analizie chemicznej, 1st ed.; Państwowe Wydawnictwo Naukowe: Warsaw, Poznań, Poland, 1979; pp. 107-128.
3. Herschel, W. XIV. Experiments on the refrangibility of the invisible rays of the sun. Philos. Trans. R. Soc. Lond. 1800, (90), 284-292. DOI: 10.1098/rspl.1800.0013
4. Coblentz, W.W. Infra-red absorption spectra: I. gases. Phys. Rev. 1905, 20(5), 273-291. DOI: 10.1103/PhysRevSeriesI.20.273
5. Jamrógiewicz, M. Application of the near-infrared spectroscopy in the pharmaceutical technology. J. Pharm. Biomed. Anal. 2012, 66, 1-10. DOI: 10.1016/j.jpba.2012.03.009
6. European Directorate for the Quality of Medicines & Healthcare (EDQM), The Ph. Eur. revises its general chapter on Infrared Absorption Spectrophotometry [Press release 2018, April 05], 2018. Available online: https://www.edqm.eu/documents/52006/84797/Press+Release+-+The+Ph.+Eur.+revises+its+general+chapter+on+Infrared+Absorption+Spectrophotometry+-+April+2018.pdf (accessed on 5th December 2025)
7. Hart, J.R.; Norris, K.H.; Golumbig, C. Determination of the moisture content of seeds by near-infrared spectro-photometry of their methanol extracts. Cereal Chem. 1962, 39(2), 94-99.
8. Anderson, C.A.; Drennen, J.K.; Ciurczak, E.W. Pharmaceutical applications of near-infrared spectroscopy. In Handbook of near-infrared analysis, 3rd ed.; CRC Press: Boca Raton, USA, 2007; pp. 603-630.
9. Kozma, B.; Salgó, A.; Gergely, S. On-line glucose monitoring by near infrared spectroscopy during the scale up steps of mammalian cell cultivation process development. Bioprocess Biosyst. Eng. 2019, 42, 921–932. DOI: 10.1007/s00449-019-02091-z
10. Nascimento, R.J.A.D.; Macedo, G.R.D.; Santos, E.S.D.; Oliveira, J.A.D. Real time and in situ near-infrared spectroscopy (NIRS) for quantitative monitoring of biomass, glucose, ethanol and glycerine concentrations in an alcoholic fermentation. Braz. J. Chem. Eng. 2017, 34(2), 459-468. DOI: 10.1590/0104-6632.20170342s20150347
11. Wilbert, D.; Voigt, M.; Jaeger, M. A process analyzer assembly for real-time automated near-infrared, Raman, and proton nuclear magnetic resonance spectroscopic monitoring enhanced by heterocovariance spectroscopy and chemometry applied to a Schiff base formation. Anal. Bioanal. Chem. 2025, 417, 5703–5713. DOI: 10.1007/s00216-025-05945-6
12. Schaefer, C.; Lecomte, C.; Clicq, D.; Merschaert, A.; Norrant, E.; Fotiadu, F. On-line near infrared spectroscopy as a Process Analytical Technology (PAT) tool to control an industrial seeded API crystallization. J. Pharm. Biomed. Anal. 2013, 83, 194-201. DOI: 10.1016/j.jpba.2013.05.015
13. EMA, E. Guideline on the use of near infrared spectroscopy by the pharmaceutical industry and the data requirements for new submissions and variations. EMEA/CHMP/CVMP/QWP/17760/2009 Rev2, 2014, Available online: https://www.ema.europa.eu/en/documents/scientific-guideline/guideline-use-near-infrared-spectroscopy-pharmaceutical-industry-and-data-requirements-new-submissions-and-variations_en.pdf (accessed on 28th July 2025).
14. Freitas, M.P.; Sabadin, A.; Silva, L.M.; Giannotti, F.M.; do Couto, D.A.; Tonhi, E.; Madeiros, R.S.; Coco, G.L.; Russo, V.F.T.; Martins, J.A. Prediction of drug dissolution profiles from tablets using NIR diffuse reflectance spectroscopy: a rapid and nondestructive method. J. Pharm. Biomed. Anal. 2005, 39(1-2), 17-21. DOI: 10.1016/j.jpba.2005.03.023
15. Alcalà, M.; Blanco, M.; Bautista, M.; Gonzalez, J.M. On‐line monitoring of a granulation process by NIR spectroscopy. J. Pharm. Sci. 2010, 99(1), 336-345. DOI: 10.1002/jps.21818
16. Feng, Y.C.; Zhang, X.B.; Hu, C.Q. Construction of identification system for non-invasive analysis of macrolides tablets using near infrared diffuse reflectance spectroscopy. J. Pharm. Biomed. Anal. 2010, 51(1), 12-17. DOI: 10.1016/j.jpba.2009.07.018
17. Talati, R.; Parikh, S.; Agrawal, Y.K. Pharmaceutical counterfeiting and analytical authentication. Curr. Pharm. Anal. 2011, 7(1), 54-61. DOI: 10.2174/157341211794708712
18. Wrosz, P., Zastosowanie spektroskopii bliskiej podczerwieni i klasycznej podczerwieni w analizie jakościowej i ilościowej surowców w przemyśle farmaceutycznym i kosmetycznym, PhD Thesis, Gdańsk University of Technology, Faculty of Chemistry, Gdańsk, Poland, 2012.
19. Wilks Jr, P.A.; Hirschfeld, T. Internal reflection spectroscopy. Appl. Spectrosc. Rev. 1967, 1(1), 99-130.
20. Mirabella, F. Principles, Theory and Practice of Internal Reflection Spectroscopy. In Internal Reflection Spectroscopy, 1st ed.; CRC Press: Boca Raton, USA,1992; pp. 17-52.
21. Gad, H.; Al‐Sayed, E.; Ayoub, I. Phytochemical discrimination of Pinus species based on GC–MS and ATR‐IR analyses and their impact on Helicobacter pylori. Phytochem. Anal. 2021, 32(5), 820-835. DOI: 10.1002/pca.3028
22. Azminah, A.; Ahmad, I.; Fikri, J.A.N.; Jumadil, M.I.; Erza, N.A.F.; Abdullah, S.; Simamora, A.; Mun’im, A. Rapid detection of synthetic adulterants in Indonesian herbal medicines using ATR-FTIR spectroscopy combined with chemometrics. J. Res. Pharm. 2023, 27(1), 184-196. DOI: 10.29228/jrp.302
23. Zamani Mazdeh, F.; Chalipour, A.; Salami, F.; Amini, M.; Adli, H.; Rostami, A.; Rashidi Germi, S.; Nobahari Quchan Atigh, M.; Hajimahmoodi, M. Rapid Determination of Ethanol in Non-Alcoholic Malt Beverage by ATR-FT-IR Spectroscopy and Headspace Gas Chromatography Confirmation. J. Agric. Sci. Technol. 2023, 25(2), 391-401. DOI: 10.52547/jast.25.2.391
24. Kolev, I.N.; Ivanova, S.Y.; Amova, A.K.; Alexieva, G.E.; Strashilov, V.L. A new FTIR-based technique in the polymorphic analysis of Nitrofural. J. Mol. Struct. 2021, 1233, Art. No: 130098. DOI: 10.1016/j.molstruc.2021.130098
25. Calvo, N.L.; Kaufman, T.S.; Maggio, R.M. Mebendazole crystal forms in tablet formulations. An ATR-FTIR/chemometrics approach to polymorph assignment. J. Pharm. Biomed. Anal. 2016, 122, 157-165. DOI: 10.1016/j.jpba.2016.01.035
26. Novais, Â; Gonçalves, A.B.; Ribeiro, T.G.; Freitas, A.R.; Méndez, G.; Mancera, L.; Read, A.; Alves, V.; López-Cerero, L.; Rodríguez-Baño, J.; Pascual, Á.; Peixe, L. Development and validation of a quick, automated, and reproducible ATR FT-IR spectroscopy machine-learning model for Klebsiella pneumoniae typing. J. Clin. Microbiol. 2024, 62(2), Art. No: e0121123. DOI: 10.1128/jcm.0121123
27. Williams, S.F.; Wan, H.; Chittock, J.; Brown, K.; Wigley, A.; Cork, M.J.; Danby, S.G. Characterization of skin barrier defects using infrared spectroscopy in patients with atopic dermatitis. Clin. Exp. Dermatol. 2024, 49(5), 466–477. DOI: 10.1093/ced/llad416
28. Ha, T.; Hu, Y.; Kang, Y.; Du, Y. Stratified quantitative analysis of the penetration of active ingredients in the skin by infrared spectroscopic imaging. Talanta 2025, 291, Art. No: 127871. DOI: 10.1016/j.talanta.2025.127871
29. Tahay, P.; Parsa, Z.; Zamani, P.; Safari, N. A structural and optical study of curcumin and curcumin analogs. J. Iran. Chem. Soc. 2022, 19(7), 3177-3188. DOI: 10.3390/nano14121022
30. Filip, K.; Bańkowski, K.; Sidoryk, K.; Zagrodzka, J.; Łaszcz, M.; Trzcińska, K.; Maruszak, W. Physicochemical characterization of ezetimibe and its impurities. J. Mol. Struct. 2011, 991(1-3), 162-170. DOI: 10.1016/j.molstruc.2011.02.020
31. Galvin-King, P.; Haughey, S.A.; Elliott, C.T. Garlic adulteration detection using NIR and FTIR spectroscopy and chemometrics. J. Food Compos. Anal. 2021, 96, Art. No: 103757. DOI: 10.1016/j.jfca.2020.103757
32. Shannon, M.; Lafeuille, J.L.; Frégière-Salomon, A.; Lefevre, S.; Galvin-King, P.; Haughey, S.A.; Burns, D.T.; Shen, X.; Kapil, A.; McGrath, T.F.; Elliott, C.T. The detection and determination of adulterants in turmeric using fourier-transform infrared (FTIR) spectroscopy coupled to chemometric analysis and micro-FTIR imaging. Food Control 2022, 139, Art. No: 109093. DOI: 10.1016/j.foodcont.2022.109093
33. Martins, M.S.; Nascimento, M.H.; Barbosa, L.L.; Campos, L.C.; Singh, M.N.; Martin, F.L.; Romão, W.; Filgueiras, P.R., Barauna, V.G. Detection and quantification using ATR-FTIR spectroscopy of whey protein concentrate adulteration with wheat flour. LWT 2022, 172, Art. No: 114161. DOI: 10.1016/j.lwt.2022.114161
34. de Paulo, E.H.; Rech, A.M.; Weiler, F.H.; Nascimento, M.H.; Filgueiras, P.R.; Ferrao, M.F. Evaluation of adulteration in soy-based beverages by water addition using chemometrics applied to ATR-FTIR spectroscopy. Food Control 2024, 166, Art. No: 110746. DOI: 10.1016/j.foodcont.2024.110746
35. Fatmarahmi, D.C.; Susidarti, R.A.; Swasono, R.T.; Rohman, A. A development method of FTIR spectroscopy coupled with chemometrics for detection of synthetic drug adulterants of herbal products in quaternary mixture. J. Appl. Pharm. Sci. 2022, 12(3), 191-201. DOI: 10.7324/JAPS.2022.120320
36. Foschi, M.; Tozzi, L.; Di Donato, F.; Biancolillo, A.; D’Archivio, A.A. A novel FTIR-based chemometric solution for the assessment of saffron adulteration with non-fresh stigmas. Molecules 2022, 28(1), Art. No: 33. DOI: 10.3390/molecules28010033
37. Zahir, S.A.D.M.; Omar, A.F.; Jamlos, M.F.; Azmi, M.A.M.; Muncan, J. A review of visible and near-infrared (Vis-NIR) spectroscopy application in plant stress detection. Sensors and Actuators A: Physical 2022, 338, Art. No: 113468. DOI: 10.1016/j.sna.2022.113468
38. Sahoo, M.R.; Umashankara, M.S. FTIR based metabolomics profiling and fingerprinting of some medicinal plants: An attempt to develop an approach for quality control and standardization of herbal materials. Pharmacogn. Res. 2023, 15(1), 163-167. DOI: 10.5530/097484900288
39. Zhang, Y.C.; Deng, J.; Lin, X.L.; Li, Y.M.; Sheng, H.X.; Xia, B.H.; Lin, L.M. Use of ATR‐FTIR spectroscopy and chemometrics for the variation of active components in different harvesting periods of Lonicera japonica. Int. J. Anal. Chem. 2022, 2022(1), Art. No: 8850914. DOI: 10.1155/2022/8850914
40. Rosa, S.S.; Barata, P.A.; Martins, J.M.; Menezes, J.C. Near-infrared reflectance spectroscopy as a process analytical technology tool in Ginkgo biloba extract qualification. J. Pharm. Biomed. Anal. 2008, 47(2), 320-327. DOI: 10.1016/j.jpba.2008.01.031
41. Michalak, O.; Łaszcz, M.; Jatczak, K.; Witkowska, A.; Bujak, I.; Groman, A.; Cybulski, M. New polymorphic forms of pemetrexed diacid and their use for the preparation of pharmaceutically pure amorphous and hemipentahydrate forms of pemetrexed disodium. Molecules 2015, 20(8), 13814-13829. DOI: 10.3390/molecules200813814
42. Hu, Y.; Erxleben, A.; Ryder, A.G.; McArdle, P. Quantitative analysis of sulfathiazole polymorphs in ternary mixtures by attenuated total reflectance infrared, near-infrared and Raman spectroscopy. J. Pharm. Biomed. Anal. 2010, 53(3), 412-420. DOI: 10.1016/j.jpba.2010.05.002
43. Garbacz, P.; Wesolowski, M. Benzodiazepines co-crystals screening using FTIR and Raman spectroscopy supported by differential scanning calorimetry. Spectrochim. Acta A 2020, 234, Art. No: 118242. DOI: 10.1016/j.saa.2020.118242
44. Inoue, M.; Taniguchi, E.; Sano, J. Real-Time Total Content Uniformity Assessment of Solid Dosage Forms Using Near-Infrared Transmission Spectroscopy. Anal. Chem. 2025, 97(11), 6111-6117. DOI: 10.1021/acs.analchem.4c06733
45. van Haaren, C.; De Bock, M.; Kazarian, S.G. Advances in ATR-FTIR Spectroscopic Imaging for the Analysis of Tablet Dissolution and Drug Release. Molecules 2023, 28(12), Art. No: 4705. DOI: 10.3390/molecules28124705
46. Kazarian, S.G.; Ewing, A.V. Applications of Fourier transform infrared spectroscopic imaging to tablet dissolution and drug release. Expert Opin. Drug Deliv. 2013, 10(9), 1207–1221. DOI: 10.1517/17425247.2013.801452
47. Tatavarti, A.S.; Fahmy, R.; Wu, H.; Hussain, A.S.; Marnane, W.; Bensley, D.; Hollenbeck, G.; Hoag, S.W. Assessment of NIR spectroscopy for nondestructive analysis of physical and chemical attributes of sulfamethazine bolus dosage forms. AAPS PharmSciTech 2005, 6, Art. No: 15(2005). DOI: 10.1208/pt060115
48. Gallignani, M.; Rondón, R.A.; Ovalles, J.F.; Brunetto, M.R. Transmission FTIR derivative spectroscopy for estimation of furosemide in raw material and tablet dosage form. Acta Pharm. Sin. B 2014, 4(5), 376-383. DOI: 10.1016/j.apsb.2014.06.013
49. Khanal, D.; Zhang, J.; Ke, W.R.; Banaszak Holl, M.M.; Chan, H.K. Bulk to nanometer-scale infrared spectroscopy of pharmaceutical dry powder aerosols. Anal. Chem. 2020, 92(12), 8323-8332. DOI: 10.1021/acs.analchem.0c00729
50. Khanal, D.; Kim, J.; Zhang, J.; Ke, W.R.; Banaszak Holl, M.M.; Chan, H.K. Optical photothermal infrared spectroscopy for nanochemical analysis of pharmaceutical dry powder aerosols. Int. J. Pharm. 2023, 632, Art. No: 122563. DOI: 10.1016/j.ijpharm.2022.122563
51. Kemper, M.S.; Magnuson, E.J.; Lowry, S.R.; McCarthy, W.J.; Aksornkoae, N.; Watts, D.C.; Johnson, J.R.; Shukla, A.J. Use of FT-NIR transmission spectroscopy for the quantitative analysis of an active ingredient in a translucent pharmaceutical topical gel formulation. AAPS PharmSci 2001, 3, Art. No: 23(2001) DOI: 10.1208/ps030323
52. Ozawa, Y.; Watanabe, Y.; Ando, D.; Koide, T.; Fukami, T. Advanced formulation design for topical creams assisted with vibrational spectroscopic imaging. Chem. Pharm. Bull. 2021, 69(3), 271-277. DOI: 10.1248/cpb.c20-00979
53. Schlegel, L. B.; Schubert-Zsilavecz, M.; Abdel-Tawab, M. Quantification of active ingredients in semi-solid pharmaceutical formulations by near infrared spectroscopy. J. Pharm. Biomed. Anal. 2017, 142, 178-189. DOI: 10.1016/j.jpba.2017.04.048
54. Akbari, S.; Jafari, F.; Hatami, H.; Kariznavi, E.; Garekani, H.A.; Sadeghi, F.; Nokhodchi, A. Preparation and characterization of diclofenac transdermal patch using ethyl cellulose and polyvinyl alcohol by electrospinning. J. Drug Deliv. Sci. Technol. 2024, 92, Art. No: 105359. DOI: 10.1016/j.jddst.2024.105359
55. Krimm, S.; Bandekar, J. Vibrational spectroscopy and conformation of peptides, polypeptides, and proteins. Adv. Protein Chem. 1986, 38, 181-364. DOI: 10.1016/S0065-3233(08)60528-8
56. Barth, A. Infrared spectroscopy of proteins. Biochim. Biophys. Acta, 2007, 1767(9), 1073-1101 DOI: 10.1016/j.bbabio.2007.06.004
57. Barth A, Zscherp C. What vibrations tell about proteins. Q. Rev. Biophys., 2002, 35(4), 369-430. DOI: 10.1017/S0033583502003815
58. Fabian, H.; Mäntele, W. Infrared spectroscopy of proteins. In Handbook of vibrational spectroscopy, Chalmers, J.M., Griffiths P.R., Eds.; John Wiley & Sons, Chichester, England, 2006; Volume 5, pp. 3399-3425.
59. Kong, J.; Yu, S. Fourier transform infrared spectroscopic analysis of protein secondary structures. Acta Biochim. Biophys. Sin. 2007, 39(8), 549-559. DOI: 10.1111/j.1745-7270.2007.00320.x
60. Yang, S.; Zhang, Q.; Yang, H.; Shi, H.; Dong, A.; Wang, L.; Yu, S. Progress in infrared spectroscopy as an efficient tool for predicting protein secondary structure. Int. J. Biol. Macromol. 2022, 206, 175-187. DOI: 10.1016/j.ijbiomac.2022.02.104
61. Tumbic, G.W.; Hossan, M.Y.; Thielges, M.C. Protein dynamics by two-dimensional infrared spectroscopy. Annu. Rev. Anal. Chem. 2021, 14(1), 299-321. DOI: 10.1146/annurev-anchem-091520-091009
62. Yu, X.; Cai, X.; Li, S.; Luo, L.; Wang, J.; Wang, M.; Zeng, L. Studies on the interactions of theaflavin-3, 3′-digallate with bovine serum albumin: Multi-spectroscopic analysis and molecular docking. Food Chem. 2022, 366, Art. No: 130422. DOI: 10.1016/j.foodchem.2021.130422
63. King, J.T.; Kubarych, K.J. Site-specific coupling of hydration water and protein flexibility studied in solution with ultrafast 2D-IR spectroscopy. J. Am. Chem. Soc. 2012, 134(45), 18705-18712. DOI: 10.1021/ja307401r
64. Kamerzell, T.J.; Esfandiary, R.; Joshi, S.B.; Middaugh, C.R.; Volkin, D.B. Protein–excipient interactions: Mechanisms and biophysical characterization applied to protein formulation development. Adv. Drug Deliv. Rev. 2011, 63(13), 1118-1159. DOI: 10.1016/j.addr.2011.07.006
65. Pojić, M.; Mastilović, J.; Majcen, N. The application of near infrared spectroscopy in wheat quality control. In Infrared Spectroscopy–Life and Biomedical Sciences; Theophanides, T.; Intech Publisher: Rijeka, Croatia, 2012; pp.167-184. DOI: 10.5772/34676
66. Cavalu, S.; Simon, V. Proteins adsorption to orthopaedic biomaterials: Vibrational spectroscopy evidence. J. Optoelectron. Adv. Mater. 2007, 9(11), 3297-3302.
67. Wharton, C.W. Infrared spectroscopy of enzyme reaction intermediates. Nat. Prod. Rep. 2000, 17(5), 447-453. DOI: 10.1039/B002066O
68. Khanolkar, A.; Pawale, P.; Thorat, V.; Patil, B.; Samanta, G. Near infrared spectroscopy for determination of moisture content in lyophilized formulation. J. Near Infrared Spectrosc. 2024, 32(1-2), 18-28. DOI: 10.1177/09670335241240309