4-[Bis(4-fluoro­phen­yl)meth­yl]piperazin-1-ium 2-hy­droxy­benzoate 2-hy­droxy­benzoic acid monosolvate

The title compound, C17H19F2N2 +·C7H5O3 −·C7H6O3, is a co-crystal from 4-[bis­(4-fluoro­phen­yl)meth­yl]piperazin-1-ium, salicylate anion and salicylic acid in a 1:1:1 ratio. In addition to an intra­molecular O—H⋯O hydrogen bond, the crystal packing shows hydrogen bonds between the piperazinium cation and salicylate anion (N—H⋯O), as well as between the salicylic acid mol­ecule and anion (O—H⋯O), giving rise to a three-dimensional network

To study yeast actin cytoskeleton involved in endocytosis and actin cable using optigenetics

Actins in eukaryotic organisms plays a major role in cellular functions. They primarily appear in two major forms i.e., actin patch and actin cable. Actin patch plays an important role in endocytosis by providing the force that is needed for the plasma membrane invagination and engulfment of the cargo. Actin patches are nucleated by Arp2/3 complex which in turn is activated by Las17. On the other hand, actin cable plays vital role in transporting the cargo into and within the cell with the help of motor protein called Myo2. Actin cables are nucleated by formins called Bni1 and Bnr1. Optogenetics is a powerful tool in order to study the dynamics of a protein. It can control the expression of a gene at genetic level. Two light-sensitive proteins PhyB and PIF, when fused with fluorescent proteins and in the presence of PCB at 650nm, they form complex and the process can be reversed by shining 750nm. Here, I studied the role of four proteins viz., Las17, Bni1, Myo2 and Cmd1 in endocytosis and actin cable polymerization. Las17 and Bni1 plays a major role in endocytosis, actin cable polymerization and their inhibition affects the rate of endocytosis and the velocity of actin cable polymerization significantly. Myo2 and Cmd1 genes also play a significant role in endocytosis and actin cable polymerization.​Master of Science (Biomedical Engineering

A Novel Hydrogen-Bonded Duplex Made up of Water Molecules and Halide Ions in the Sandwich Inclusion Structures of (C10H8N3S)+ X 2H2O [X=Cl-, Br-].

The X-ray crystal structures of thiabendazolium halide dihydrates (C10H8N3S)(+). X . 2H(2)O [X = Cl-, Br-] 1, 2 reveal a novel hydrogen-bonded duplex consisting of alternate edge-sharing (H2O . X)(2) quadrilaterals and (2H(2)O . X)(2) hexagons; notably these duplexes exist as host lattices and sandwich thiabendazole molecules into two different supramolecular architectures by similar N ... X and N ... O hydrogen bonds

Crystallization and preliminary X-ray diffraction of the ZO-binding domain of human occludin

Crystallization and preliminary X-ray diffraction of the ZO-binding domain of human occludin

Experimental and Theoretical Charge Density Studies of 8-Hydroxyquinoline Cocrystallized with Salicylic Acid

The experimental electron density distribution (EDD) in 8-hydroxyquinoline cocrystallized with salicylic acid, 1, has been determined from a multipole refinement of high-resolution X-ray diffraction data collected at 100 K. The experimental EDD is compared with theoretical densities resulting from high-level ab initio and BHandH calculations using Atoms in Molecules theory. 1 crystallizes in the triclinic crystal system, and the asymmetric unit consists of a neutral salicylic acid molecule, a salicylate anion, and an 8-hydroxyquinolinium cation exhibiting a number of inter- and intramolecular hydrogen bonds and π–π interactions. Topological analysis reveals that π–π interactions are of the “closed-shell” type, characterized by rather low and flat charge density. In general, the agreement of the topological values (ρbcp and 2ρbcp) between experiment and theory is good, with mean differences of 0.010 e Å–3 and 0.036 e Å–5, respectively. The energetics of the π–π interactions have been estimated, and excellent agreement is observed between the relative energy and the strength of π-stacking derived from the Espinosa approach, with an average difference of only 4.4 kJ mol–1