UV Spectroscopic Determination of Aloin in Aloe vera ( A. vera ) Samples Based on Chemometric Data Processing

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UV Spectroscopic Determination of Aloin in Aloe vera (A. vera) Samples Based on Chemometric Data Processing N. A. Burmistrovaa, *, O. O. Krivetsa, and Yu. B. Monakhovaa, b aInstitute

of Chemistry, Saratov State University, Saratov, 410012 Russia bSpectral Service AG, Cologne, 50996 Germany *e-mail: [email protected]

Received May 22, 2019; revised June 29, 2019; accepted January 30, 2020

Abstract—A simple method was developed for determining aloin in A. vera samples by UV–visible spectroscopy with the study of the results of measurements by principal component analysis (PCA), which showed the separation of samples in the PC space depending on their manufacturer. The spectra of model binary (aloin– malic acid) and ternary (aloin–malic acid–citric acid) systems and the spectra of A. vera samples were decomposed using the mutual information least dependent component analysis (MILCA) algorithm based on the minimization of numerical values of mutual information. A good correlation is observed for model mixtures between the predicted and actual concentrations of aloin in the samples under study (n = 3, r = 0.986). The spectra of the model systems, that is, A. vera samples with a known concentration of aloin, and the spectra of A. vera samples artificially contaminated relative to the initial samples were used as calibration systems for the decomposition of the spectra of A. vera samples by independent component analysis. It was demonstrated that UV spectroscopy in combination with corresponding chemometric data processing enables the quantitative determination of aloin in plant samples of A. vera. Keywords: aloin, Aloe vera, UV spectroscopy, principal component analysis, independent component analysis DOI: 10.1134/S1061934820070047

Aloe vera (L.) Burm. f. is a well-known species of the aloe vera genus that is a source of plant materials in the production of medical (for stimulating the immune system and healing wounds) and cosmetic preparations and dietary supplements [1–6]. A. vera extract, especially in a gel form, is the main ingredient of skincare products and cosmetics. A. vera gel is a complex multicomponent biological matrix containing a wide range of low-molecular-weight organic compounds (anthraquinones, chromones and their glycosides, malic acid, amino acids, etc.), mono- and polysaccharides, carbohydrates, proteins, and inorganic components (phosphorus, potassium, calcium, magnesium, etc.) [1, 4, 7, 8]. Therefore, the certification of the A. vera gel quality is a difficult task, which is significantly complicated by the features of the process of its preparation. One of quality indicators of A. vera as a plant material is the concentration of aloin (or barbaloin) (Scheme 1), the main active component of A. vera gel. It is responsible for the therapeutic properties of the gel, for example, the anti-inflammatory effect [9]. According to the recommendations of the International Aloe Science Council, the concentration of aloin in the products intended for oral consumption should not exceed 10 ppm [10].