Chemometrics-assisted fingerprinting profiling of Mangosteen extracts from Sulawesi island using Fourier Transform Infrared (FTIR) Spectroscopy

Abdul Rohman

Makale detayları

Chemometrics-assisted fingerprinting profiling of Mangosteen extracts from Sulawesi island using Fourier Transform Infrared (FTIR) Spectroscopy

Yazarlar:

Abdul Rohman

Yayıncı:

Marmara University

Ana Başlıklar:

Pharmaceutical Chemistry

Dergi:

Journal of Research in Pharmacy Vol.29 Issue 1, pp.151-158

Belge Tipi:

Makale

Yayın Tarihi:

3/2025

Belge Dili:

İngilizce

Document ID (Org No.):

2001339601

pISSN:

2630-6344

Anahtar kelimeler:

Özet:

 Applying chemometrics in analyzing the chemical data from natural materials is very important for understanding the complex data of herbal raw materials. This study aims to apply chemometric principal component analysis PCA and cluster analysis CA techniques to know the fingerprint profiling of 20 types of ethanolic extract of Mangosteen obtained from different area in Sulawesi Island, Indonesia. The extraction uses variations for solvent kinds 70 and 96 ethanol with maceration techniques and fruit parts pericarp and seed representing plant parts from Sulawesi Island. All extracts were analyzed using FTIR spectroscopy at wavenumbers of 4000-400 cm-1, and the obtained FTIR spectra were analyzed using chemometric or multivariate data analysis. The results showed that some peaks were identified as markers for mangosteen extracts, namely at wavenumbers of 3414 cm-1 O-H stretching, 2961 cm-1 CH3 asymmetrical stretching, 2922 cm-1 CH2 asymmetrical stretching, 2859 cm-1 CH2 symmetrical stretching, 1724 cm-1 CO stretching, 1643 hydrogen bonded, 1611 cm-1 carboxyl groups, 1582 cm-1 CC stretching, 1458 cm-1 CH2 bending, and 1283 cm-1 O-H. PCA using the first principle component PC1 and second principle components accounting of 85.8 variations could differentiate Mangosteen extracts with different area. Furthermore, CA could classify the samples of Mangosteen extracts into 4 clusters with a similarity percentages of 25.65-99.99. It can be concluded that chemometric-assisted fingerprinting profiles using variable of FTIR spectral absorbance values can distinguish variations in mangosteen extract according to the type of solvent and the fruit part according to Sulawesi Island origin.

 Applying chemometrics in analyzing the chemical data from natural materials is very important for understanding the complex data of herbal raw materials. This study aims to apply chemometric principal component analysis PCA and cluster analysis CA techniques to know the fingerprint profiling of 20 types of ethanolic extract of Mangosteen obtained from different area in Sulawesi Island, Indonesia. The extraction uses variations for solvent kinds 70 and 96 ethanol with maceration techniques and fruit parts pericarp and seed representing plant parts from Sulawesi Island. All extracts were analyzed using FTIR spectroscopy at wavenumbers of 4000-400 cm-1, and the obtained FTIR spectra were analyzed using chemometric or multivariate data analysis. The results showed that some peaks were identified as markers for mangosteen extracts, namely at wavenumbers of 3414 cm-1 O-H stretching, 2961 cm-1 CH3 asymmetrical stretching, 2922 cm-1 CH2 asymmetrical stretching, 2859 cm-1 CH2 symmetrical stretching, 1724 cm-1 CO stretching, 1643 hydrogen bonded, 1611 cm-1 carboxyl groups, 1582 cm-1 CC stretching, 1458 cm-1 CH2 bending, and 1283 cm-1 O-H. PCA using the first principle component PC1 and second principle components accounting of 85.8 variations could differentiate Mangosteen extracts with different area. Furthermore, CA could classify the samples of Mangosteen extracts into 4 clusters with a similarity percentages of 25.65-99.99. It can be concluded that chemometric-assisted fingerprinting profiles using variable of FTIR spectral absorbance values can distinguish variations in mangosteen extract according to the type of solvent and the fruit part according to Sulawesi Island origin.

 Applying chemometrics in analyzing the chemical data from natural materials is very important for understanding the complex data of herbal raw materials. This study aims to apply chemometric principal component analysis PCA and cluster analysis CA techniques to know the fingerprint profiling of 20 types of ethanolic extract of Mangosteen obtained from different area in Sulawesi Island, Indonesia. The extraction uses variations for solvent kinds 70 and 96 ethanol with maceration techniques and fruit parts pericarp and seed representing plant parts from Sulawesi Island. All extracts were analyzed using FTIR spectroscopy at wavenumbers of 4000-400 cm-1, and the obtained FTIR spectra were analyzed using chemometric or multivariate data analysis. The results showed that some peaks were identified as markers for mangosteen extracts, namely at wavenumbers of 3414 cm-1 O-H stretching, 2961 cm-1 CH3 asymmetrical stretching, 2922 cm-1 CH2 asymmetrical stretching, 2859 cm-1 CH2 symmetrical stretching, 1724 cm-1 CO stretching, 1643 hydrogen bonded, 1611 cm-1 carboxyl groups, 1582 cm-1 CC stretching, 1458 cm-1 CH2 bending, and 1283 cm-1 O-H. PCA using the first principle component PC1 and second principle components accounting of 85.8 variations could differentiate Mangosteen extracts with different area. Furthermore, CA could classify the samples of Mangosteen extracts into 4 clusters with a similarity percentages of 25.65-99.99. It can be concluded that chemometric-assisted fingerprinting profiles using variable of FTIR spectral absorbance values can distinguish variations in mangosteen extract according to the type of solvent and the fruit part according to Sulawesi Island origin.

 Applying chemometrics in analyzing the chemical data from natural materials is very important for understanding the complex data of herbal raw materials. This study aims to apply chemometric principal component analysis PCA and cluster analysis CA techniques to know the fingerprint profiling of 20 types of ethanolic extract of Mangosteen obtained from different area in Sulawesi Island, Indonesia. The extraction uses variations for solvent kinds 70 and 96 ethanol with maceration techniques and fruit parts pericarp and seed representing plant parts from Sulawesi Island. All extracts were analyzed using FTIR spectroscopy at wavenumbers of 4000-400 cm-1, and the obtained FTIR spectra were analyzed using chemometric or multivariate data analysis. The results showed that some peaks were identified as markers for mangosteen extracts, namely at wavenumbers of 3414 cm-1 O-H stretching, 2961 cm-1 CH3 asymmetrical stretching, 2922 cm-1 CH2 asymmetrical stretching, 2859 cm-1 CH2 symmetrical stretching, 1724 cm-1 CO stretching, 1643 hydrogen bonded, 1611 cm-1 carboxyl groups, 1582 cm-1 CC stretching, 1458 cm-1 CH2 bending, and 1283 cm-1 O-H. PCA using the first principle component PC1 and second principle components accounting of 85.8 variations could differentiate Mangosteen extracts with different area. Furthermore, CA could classify the samples of Mangosteen extracts into 4 clusters with a similarity percentages of 25.65-99.99. It can be concluded that chemometric-assisted fingerprinting profiles using variable of FTIR spectral absorbance values can distinguish variations in mangosteen extract according to the type of solvent and the fruit part according to Sulawesi Island origin.

Makale detayları

Chemometrics-assisted fingerprinting profiling of Mangosteen extracts from Sulawesi island using Fourier Transform Infrared (FTIR) Spectroscopy

Yazarlar:

Abdul Rohman

Yayıncı:

Marmara University

Ana Başlıklar:

Pharmaceutical Chemistry

Dergi:

Journal of Research in Pharmacy Vol.29 Issue 1, pp.151-158

Belge Tipi:

Makale

Yayın Tarihi:

3/2025

Belge Dili:

İngilizce

Document ID (Org No.):

2001339601

pISSN:

2630-6344

Chemometrics

Fingerprinting profiling

Mangosteen

Multivariate data analysis

Spectroscopy

Sayı

Makale detayları

Chemometrics-assisted fingerprinting profiling of Mangosteen extracts from Sulawesi island using Fourier Transform Infrared (FTIR) Spectroscopy

Yazarlar: Abdul Rohman

Yayıncı: Marmara University

Ana Başlıklar: Pharmaceutical Chemistry

Dergi: Journal of Research in Pharmacy Vol.29 Issue 1, pp.151-158

Belge Tipi: Makale

Yayın Tarihi: 3/2025

Belge Dili: İngilizce

Document ID (Org No.): 2001339601

pISSN: 2630-6344

Chemometrics

Fingerprinting profiling

Mangosteen

Multivariate data analysis

Spectroscopy

Sayı

Yazarlar:

Abdul Rohman

Yayıncı:

Marmara University

Ana Başlıklar:

Pharmaceutical Chemistry

Dergi:

Journal of Research in Pharmacy Vol.29 Issue 1, pp.151-158

Belge Tipi:

Makale

Yayın Tarihi:

3/2025

Belge Dili:

İngilizce

Document ID (Org No.):

2001339601

pISSN:

2630-6344