(233d) A Multi-Scale, Optimization-Based Approach to Understanding Sulfur Fates in Integrated Biological and Transport Systems.

Glucoraphanin is a type of glucosinolytic phytochemical found in broccoli microgreen plants that
converts to the sulfur-rich molecule sulforaphane (in the presence of the enzyme myrosinase) when
the plant tissue is damaged. Studies have shown sulforaphane to be a compound with anticarcinogenic properties and other properties that generally improve metabolic health. Thus, it is
proposed that higher glucoraphanin concentrations in broccoli microgreens can lead to higher
sulforaphane conversion, resulting in improved anti-cancer and metabolic health maintenance
from a natural, organic source.
In this work, we develop a computational approach used to identify metabolic networks
(comprising known biosynthetic pathways in primary plant sulfur metabolism) that map to optimal
glucoraphanin concentrations in broccoli microgreens. In our previous work, we analyzed
degradation rates during the transport of harvested microgreens as a function of temperature and
distance using experimental values for glucoraphanin concentration from the literature as a starting
point. The current work will allow for the expansion of our previous analysis to explore
degradation rates during transport as a function of variable sulfate compositions that drive primary
sulfur metabolism and generate glucoraphanin concentration starting points based on identified
optimal metabolic networks.
Ultimately, our proposed methodology can help us (i) to better understand underlying mechanisms
for glucoraphanin production in broccoli microgreens through primary sulfur metabolism, (ii) to
perform a cradle-to-grave analysis of sulfur-containing compounds by developing integrated,
multi-scale, biological and transport network optimization methods, and (iii) to gain insights into
new potential opportunities for optimized microgreen cultivation practices.