Visualization of the photodegradation of a therapeutic drug by chemometric-assisted fluorescence spectroscopy

Masaru Tanioka; Tsugumi Ebihana; Manae Uraguchi; Haruka Shoji; Yuka Nakamura; Rina Ueda; Shota Ogura; Yoshifumi Wakiya; Tohru Obata; Takahiro Ida; Jun Horigome; Shinichiro Kamino

doi:10.1039/d2ra03534k

Visualization of the photodegradation of a therapeutic drug by chemometric-assisted fluorescence spectroscopy

Masaru Tanioka, Tsugumi Ebihana, Manae Uraguchi, Haruka Shoji, Yuka Nakamura, Rina Ueda, Shota Ogura, Yoshifumi Wakiya, Tohru Obata, Takahiro Ida, Jun Horigome, Shinichiro Kamino^*

^*Corresponding author for this work

Synthetic and Medicinal Chemistry

Research output: Contribution to journal › Article › peer-review

3 Scopus citations

Abstract

The fluorescence spectral fingerprint, also known as the excitation-emission matrix (EEM), is used to assess and visualize therapeutic drug photodegradation in combination with chemometrics. Examination of EEM-parallel factor analysis (PARAFAC) data showed that an individual component was easily separated from a mixture of photogenerated products of a heterocyclic pharmacophore, in this case, phenothiazine drugs (PTZs). Detailed investigations of both structure-EEM relationships and kinetics revealed that the components extracted from EEM-PARAFAC could be quantitatively attributed to such photogenerated products as phenothiazine sulfoxide and carbazole derivatives. EEM in combination with principal component analysis (PCA) could be used as a mapping tool to visualize information of the photodegradation process of PTZs. We also assessed the photostability of various types of PTZs containing side chains by using validated EEM-PARAFAC methodology.

Original language	English
Pages (from-to)	20714-20720
Number of pages	7
Journal	RSC Advances
Volume	12
Issue number	32
DOIs	https://doi.org/10.1039/d2ra03534k
State	Published - 2022/07/19

ASJC Scopus subject areas

General Chemistry
General Chemical Engineering

Access to Document

10.1039/d2ra03534k

Cite this

@article{f86f525b20b94027badfc5fa12144d3c,

title = "Visualization of the photodegradation of a therapeutic drug by chemometric-assisted fluorescence spectroscopy",

abstract = "The fluorescence spectral fingerprint, also known as the excitation-emission matrix (EEM), is used to assess and visualize therapeutic drug photodegradation in combination with chemometrics. Examination of EEM-parallel factor analysis (PARAFAC) data showed that an individual component was easily separated from a mixture of photogenerated products of a heterocyclic pharmacophore, in this case, phenothiazine drugs (PTZs). Detailed investigations of both structure-EEM relationships and kinetics revealed that the components extracted from EEM-PARAFAC could be quantitatively attributed to such photogenerated products as phenothiazine sulfoxide and carbazole derivatives. EEM in combination with principal component analysis (PCA) could be used as a mapping tool to visualize information of the photodegradation process of PTZs. We also assessed the photostability of various types of PTZs containing side chains by using validated EEM-PARAFAC methodology.",

author = "Masaru Tanioka and Tsugumi Ebihana and Manae Uraguchi and Haruka Shoji and Yuka Nakamura and Rina Ueda and Shota Ogura and Yoshifumi Wakiya and Tohru Obata and Takahiro Ida and Jun Horigome and Shinichiro Kamino",

note = "Publisher Copyright: {\textcopyright} 2022 The Royal Society of Chemistry.",

year = "2022",

month = jul,

day = "19",

doi = "10.1039/d2ra03534k",

language = "英語",

volume = "12",

pages = "20714--20720",

journal = "RSC Advances",

issn = "2046-2069",

publisher = "Royal Society of Chemistry",

number = "32",

}

TY - JOUR

T1 - Visualization of the photodegradation of a therapeutic drug by chemometric-assisted fluorescence spectroscopy

AU - Tanioka, Masaru

AU - Ebihana, Tsugumi

AU - Uraguchi, Manae

AU - Shoji, Haruka

AU - Nakamura, Yuka

AU - Ueda, Rina

AU - Ogura, Shota

AU - Wakiya, Yoshifumi

AU - Obata, Tohru

AU - Ida, Takahiro

AU - Horigome, Jun

AU - Kamino, Shinichiro

PY - 2022/7/19

Y1 - 2022/7/19

N2 - The fluorescence spectral fingerprint, also known as the excitation-emission matrix (EEM), is used to assess and visualize therapeutic drug photodegradation in combination with chemometrics. Examination of EEM-parallel factor analysis (PARAFAC) data showed that an individual component was easily separated from a mixture of photogenerated products of a heterocyclic pharmacophore, in this case, phenothiazine drugs (PTZs). Detailed investigations of both structure-EEM relationships and kinetics revealed that the components extracted from EEM-PARAFAC could be quantitatively attributed to such photogenerated products as phenothiazine sulfoxide and carbazole derivatives. EEM in combination with principal component analysis (PCA) could be used as a mapping tool to visualize information of the photodegradation process of PTZs. We also assessed the photostability of various types of PTZs containing side chains by using validated EEM-PARAFAC methodology.

AB - The fluorescence spectral fingerprint, also known as the excitation-emission matrix (EEM), is used to assess and visualize therapeutic drug photodegradation in combination with chemometrics. Examination of EEM-parallel factor analysis (PARAFAC) data showed that an individual component was easily separated from a mixture of photogenerated products of a heterocyclic pharmacophore, in this case, phenothiazine drugs (PTZs). Detailed investigations of both structure-EEM relationships and kinetics revealed that the components extracted from EEM-PARAFAC could be quantitatively attributed to such photogenerated products as phenothiazine sulfoxide and carbazole derivatives. EEM in combination with principal component analysis (PCA) could be used as a mapping tool to visualize information of the photodegradation process of PTZs. We also assessed the photostability of various types of PTZs containing side chains by using validated EEM-PARAFAC methodology.

UR - http://www.scopus.com/inward/record.url?scp=85135852490&partnerID=8YFLogxK

U2 - 10.1039/d2ra03534k

DO - 10.1039/d2ra03534k

M3 - 学術論文

C2 - 35919137

AN - SCOPUS:85135852490

SN - 2046-2069

VL - 12

SP - 20714

EP - 20720

JO - RSC Advances

JF - RSC Advances

IS - 32

ER -

Visualization of the photodegradation of a therapeutic drug by chemometric-assisted fluorescence spectroscopy

Abstract

ASJC Scopus subject areas

Access to Document

Fingerprint

Cite this