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Kidney stone inhibition
Many naturally occuring molecules have been observed to modulate kidney stone formation. Of these, citrate, the organic acid found in citrus fruits, has been studied for its inhibitory effects on kidney stone growth. In our completed study, we used the EQUIL speciation software to compensate for the calcium chelating properties of citrate and then studied citrate's direct effects on nucleation and crystal growth. Once we discovered that citrate mainly impaired crystal growth rather than nucleation, we constructed a "growing" crystal lattice simulation to determine how citrate binds to the lattice.
This is an animation of the sequential addition of oxalate and calcium to the calcium oxalate monohydrate crystal lattice.