Cindy W Leung, Barbara A Laraia, Christina Feiner, Karina Solis, Anita L Stewart, Nancy E Adler, Elissa S Epel
The Psychological Distress of Food Insecurity: A Qualitative Study of the Emotional Experiences of Parents and Their Coping Strategies
Journal of the Academy of Nutrition and Dietetics
soil organic matter som key soil sorbent large number reactive binding sites may complex metals controlling fate transport bioavailability soil however due complex heterogeneous nature som easy probe physical chemical properties molecular level study priori method developed predict molecular properties som incorporated computational molecular modeling sparc performs automated reasoning chemistrys sparcs chemical reactivity models linear free energy relationships lfers specifically method uses som models simulated molecular dynamics modeling based experimental elemental composition functional group information som molecular characteristics molecular hc oc ratios molecular weight aromatic index double bond equivalence som molecules calculated proton binding constants sparc used calculate microscopic pka values every binding sites individual molecules som model based pka values metal binding constants individual monodentate binding sites calculated using irvingrossotti lfers different heavy metals results agreed reasonably default values used windermere humic aqueous model wham vi investigated metals theoretical som models extent represented average properties investigated som overall study gives new quantitative molecular insight structure chemical properties som detailed deprotonation metalsom complexation information gained individual som binding sites feasible straightforward predictive scheme useful assess risk heavy metals various aquatic terrestrial environment involving heterogeneous natural organic matter