Recently several 1,3,4-oxadiazole derivatives were identified as potentially active antimycobacterial agents. Various 5-aryl-2-thio-1,3,4-oxadiazoles have been reported having good antimycobacterial activity against Mycobacterium tuberculosis H37Rv (ATCC 27294). In this paper we report 3D QSAR studies for the 41 molecules of 1,3,4-oxadiazoles by using k-Nearest Neighbor Molecular Field Analysis...

We describe a symbol classification technique for identifying the expected locations of neighboring symbols in mathematical expressions. We use the seven symbol layout classes of the DRACULAEmath notation parser (Zanibbi, Blostein, and Cordy, 2002) to represent expected locations for neighboring symbols: Ascender, Descender, Centered, Open Bracket, Non-Script, Variable Range (e.g. integrals) an...

The advance of object tracking technologies leads to huge volumes of spatio-temporal data accumulated in the form of location trajectories. Such data bring us new opportunities and challenges in efficient trajectory retrieval. In this paper, we study a new type of query that finds the k Nearest Neighboring Trajectories (k-NNT) with the minimum aggregated distance to a set of query points. Such ...

We report the manipulation of a Kondo resonance originating from the spin-electron interactions between a two-dimensional molecular assembly of TBrPP-Co molecules and a Cu(111) surface at 4.6 K. By manipulating nearest-neighbor molecules with a scanning tunneling microscope tip we are able to tune the spin-electron coupling of the center molecule inside a hexagonal molecular assembly in a contr...

We develop a novel theory to predict the density dependence of the diffusivity of simple fluids in a molecularly sized nanopore with diffusely reflecting walls, incorporating nearest neighbor intermolecular interactions within the framework of the recent oscillator model of low density transport arising from this laboratory. It is shown that when the pore width is about two molecular diameters,...

We report manipulation of a Kondo resonance originated from the spin-electron interactions between a twodimensional molecular assembly of TBrPP-Co molecules and a Cu(111) surface at 4.6 K using a low temperature scanning tunneling microscope. By manipulating nearest-neighbor molecules with a scanning tunneling microscope tip we are able to tune the spin-electron coupling of the center molecule ...

A new phenomenon sensitive only to next-door-neighbor atoms in isolated molecules is demonstrated using angle-resolved photoemission of site-selective core electrons. Evidence for this interatomic core-to-core electron interaction is observable only by measuring nondipolar angular distributions of photoelectrons. In essence, the phenomenon acts as a very fine atomic-scale sensor of nearest-neig...

I t is due cause for wonder 1hat mole­ cules of water "know" how to frame the elaborate syrr.metries of a snow­ flake. There is no architect directing the assembly, and (he molecules themselves carry within them no template for the crystalline form. Pattern on a large scale e.merge~ entirely from the shorl-range in:eractiollS of many identical \lnits. Each molecule responds only 10 [be in· tJue...