Analysis of time-of-flight secondary ion mass spectrometry data of human skin treated with diclofenac using sparse autoencoder Analysis of time-of-flight secondary ion mass spectrometry data of human skin treated with diclofenac using sparse autoencoder

Methods that facilitate molecular identification and imaging are required to evaluate drug penetration into tissues. Time-of-flight secondary ion mass spectrometry (ToF-SIMS), which has high spatial resolution and allows 3D distribution imaging of organic materials, is suitable for this purpose. How...

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Vydané v:	Analytical and bioanalytical chemistry Ročník 417; číslo 6; s. 1049 - 1054
Hlavní autori:	Shinozaki, Atsumi, Matsuda, Kazuhiro, Aoyagi, Satoka
Médium:	Journal Article
Jazyk:	English
Vydavateľské údaje:	Berlin/Heidelberg Springer Berlin Heidelberg 01.03.2025 Springer Nature B.V
Predmet:	Analytical Chemistry Anti-Inflammatory Agents, Non-Steroidal - pharmacokinetics Autoencoder Biochemistry Biomolecules Cell membranes Characterization and Evaluation of Materials Chemistry Chemistry and Materials Science Cholesterol Communication Data analysis Diclofenac Diclofenac - pharmacokinetics drugs extracellular space Food Science Humans Laboratory Medicine Machine Learning Mass spectrometry Mass spectroscopy Monitoring/Environmental Analysis Nonsteroidal anti-inflammatory drugs Organic materials permeability Phosphatidylethanolamine phosphatidylethanolamines Scientific imaging Secondary ion mass spectrometry skin (animal) Skin - chemistry Skin - drug effects Skin - metabolism Skin Absorption Spatial discrimination Spatial resolution Spectrometry, Mass, Secondary Ion - methods Stratum corneum Tapes (data media) Virtual reality ToF–SIMS Mass imaging Stratum corneum Autoencoder Machine learning Diclofenac
ISSN:	1618-2642, 1618-2650, 1618-2650
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Popis
Shrnutí:	Methods that facilitate molecular identification and imaging are required to evaluate drug penetration into tissues. Time-of-flight secondary ion mass spectrometry (ToF-SIMS), which has high spatial resolution and allows 3D distribution imaging of organic materials, is suitable for this purpose. However, the complexity of ToF-SIMS data, which includes nonlinear factors, makes interpretation challenging. Therefore, in this study, ToF-SIMS data of a stratum corneum treated with diclofenac were analyzed using machine learning to enable the evaluation of drug distribution. Diclofenac-related mass peaks were identified using autoencoder results, and the degree of penetration was evaluated across 2–20 th stripped tapes. In addition, the permeation pathway was clarified by comparing the secondary ion images of phosphatidylethanolamine (PhEA; a marker of the inside of the cell); cholesterol, which is abundant in cell membranes; and diclofenac. Based on the biomolecule-related ion images showing the penetration pathway of diclofenac applied to the skin, diclofenac penetrates both the extracellular space and inside cells.
Bibliografia:	ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 14 content type line 23
ISSN:	1618-2642 1618-2650 1618-2650
DOI:	10.1007/s00216-024-05711-0