Date of Publication


Document Type

Master's Thesis

Degree Name

Master of Science in Chemistry

Subject Categories

Chemistry | Medicinal-Pharmaceutical Chemistry | Physical Sciences and Mathematics


College of Science



Thesis Adviser

Jaime Raul O. Janairo

Defense Panel Chair

Nancy Lazaro Llanos

Defense Panel Member

Maria Carmen S. Tan
Junie B. Billones


Glucosinolates are a family of compounds present in many agriculturally-important plants, primarily in members of Brassicaceae vegetables such as cabbages and broccoli. Their hydrolysis products, the isothiocyanates, have been found to have medicinal properties, such as anti-inflammatory and anti-cancer effects. While the metabolic fate of glucosinolates and their related isothiocyantes are properly documented, their interactions with many chemical species in vivo are poorly understood, especially in cases where such interactions may inhibit the bioavailability and effectivity of these compounds. In this work, the interactions between a glucosinolate, sinigrin, and its isothiocyanate, allyl isothiocyanate, with three metal ions common in the human body, namely, ferric ion (Fe III), zinc ion (ZN II) and cupric ion (Cu II) are explored using UV-Vis and mass spectroscopy, as well as in silico techniques such as molecular modelling and docking. The results show that while there would be no inhibitory effect of formation of complexes between these ions and the compounds being explored, the possibility of these complexes forming is infinitesimally small.

Abstract Format




Accession Number

TG07333; CDTG007333

Shelf Location

Archives, The Learning Commons, 12F Henry Sy Sr. Hall

Physical Description

ix, 68 leaves ; illustrations (some color) ; 28 cm.


Metal ions; Glucosinolates

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