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Spectrometry, Mass, Electrospray Ionization

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Characterization of metabolite profiles from the leaves of green perilla (Perilla frutescens) by ultra high performance liquid chromatography coupled with electrospray ionization quadrupole time-of-flight mass spectrometry and screening for their antioxidant properties.

Journal of food and drug analysis
The objective of this research was to access the determination of metabolite profiles and antioxidant properties in the leaves of green perilla (Perilla frutescens), where these are considered functional and nutraceutical substances in Korea. A total...

Characterization of dietary fucoxanthin from Himanthalia elongata brown seaweed.

Food research international (Ottawa, Ont.)
This study explored Himanthalia elongata brown seaweed as a potential source of dietary fucoxanthin which is a promising medicinal and nutritional ingredient. The seaweed was extracted with low polarity solvents (n-hexane, diethyl ether, and chlorofo...

Quantification of plasma sulfatides by mass spectrometry: Utility for metachromatic leukodystrophy.

Analytica chimica acta
Impaired sulfatide catabolism is the primary biochemical insult in patients with the inherited neurodegenerative disease, metachromatic leukodystrophy (MLD), and sulfatide elevation in body fluids is useful in the diagnostic setting. Here we used mas...

Enhancing analysis throughput, sensitivity and specificity in LC/ESI-MS/MS assay of plasma 25-hydroxyvitamin D by derivatization with triplex 4-(4-dimethylaminophenyl)-1,2,4-triazoline-3,5-dione (DAPTAD) isotopologues.

Journal of pharmaceutical and biomedical analysis
The plasma/serum concentration of 25-hydroxyvitamin D [25(OH)D] is a diagnostic index for vitamin D deficiency/insufficiency, which is associated with a wide range of diseases, such as rickets, cancer and diabetes. We have reported that the derivatiz...

Prediction of overall in vitro microsomal stability of drug candidates based on molecular modeling and support vector machines. Case study of novel arylpiperazines derivatives.

PloS one
Other than efficacy of interaction with the molecular target, metabolic stability is the primary factor responsible for the failure or success of a compound in the drug development pipeline. The ideal drug candidate should be stable enough to reach i...

[Fragments Woven into a Whole: A New Approach to the Diagnosis of Cancer through Mass Spectrometry and Machine-Learning].

Rinsho byori. The Japanese journal of clinical pathology
Conventionally, a definitive diagnosis of cancer is derived from histopathological diagnostics based on morphological criteria that are difficult to standardize on a quantifiable basis. On the other hand, while molecular tumor markers and blood bioch...

Structure-response relationship in electrospray ionization-mass spectrometry of sartans by artificial neural networks.

Journal of chromatography. A
Quantitative structure-property relationship (QSPR) methods are based on the hypothesis that changes in the molecular structure are reflected in changes in the observed property of the molecule. Artificial neural network is a technique of data analys...

Construction of mass spectra database and diagnosis algorithm for head and neck squamous cell carcinoma.

Oral oncology
OBJECTIVES: Intraoperative identification of tumor margins is essential to achieving complete tumor resection. However, the process of intraoperative pathological diagnosis involves cumbersome procedures, such as preparation of cryosections and micro...