title: Chemometrics meets homeopathy--an exploratory analysis of infrared spectra of homeopathic granules.
abstract: 10 homeopathic remedies commercially available (each in 3 dilutions) as sugar granules, where half of them were of organic (and half inorganic) origin were subjected to solid-state infrared spectroscopy, both in middle infrared (ATR-FTIR) and near infrared (NIR) range. Measurements were repeated six times (six days, each sample was measured once in the same day, samples were measured in random order). The obtained spectra was subjected to unsupervised (PCA) and supervised (PLS-DA) chemometric techniques to check any visible differnces in spectral data between homeopathic remedies, including also feature selection approaches. It can be concluded that the only one information encoded in this dataset is the atmospheric drift of spectra between consecutive measurement days. This proves that homeopathy is not "infrared visible" in the case of proper experimental design. These results can be useful in further investigations of possible mechanisms of action of homeopathy (if they exist).
authors.affiliation: Department of Medicinal Chemistry, Medical University of Lublin, Jaczewskiego 4, 20-090 Lublin, Poland.
authors.forename: Kinga
authors.initials: K
authors.lastname: Gorlowska
authors.affiliation: Department of Medicinal Chemistry, Medical University of Lublin, Jaczewskiego 4, 20-090 Lublin, Poland.
authors.forename: Joanna
authors.initials: J
authors.lastname: Gorlowska
authors.affiliation: Department of Medicinal Chemistry, Medical University of Lublin, Jaczewskiego 4, 20-090 Lublin, Poland.
authors.forename: Robert
authors.initials: R
authors.lastname: Skibiński
authors.affiliation: Department of Medicinal Chemistry, Medical University of Lublin, Jaczewskiego 4, 20-090 Lublin, Poland. Electronic address: lukasz.komsta@umlub.pl.
authors.forename: Łukasz
authors.initials: Ł
authors.lastname: Komsta
mesh_terms: D016018:Least-Squares Analysis; D008419:Materia Medica / Q000032:analysis* / Q000737:chemistry*; D025341:Principal Component Analysis; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods*; D019265:Spectroscopy, Near-Infrared / Q000379:methods*
chemical_list: D008419:Materia Medica
keywords: ATR-FTIR; Homeopathic drugs; NIR; Partial least squares; Principal component analysis