Saddle point search on an energy surface has broad applications in fields like materials science, physics, chemistry, and biology. In this paper, we present the shrinking dimer dynamics (SDD), a dynamic system which can be applied to locate a transition state on an energy surface corresponding to an index-1 saddle point where the Hessian has a negative eigenvalue. By searching for the saddle po...

We applied density functional theory (DFT) to study three polycyclic aromatic compounds (PAHs), corannulene, coronene, and circulene, for the preparation of twelve new buckyballs withmolecular dimensions of less than a nanometer.The results showed that the corannulene molecule is bowl-shaped, the coronene molecule is planar, and the circulene molecule has a unique saddle-shaped structure. Cycli...

The angle of contact between a solid surface and a fluid interface plays a key role in wetting and is therefore a focus in studies of a wide range of natural phenomena and fluidic technologies. The contact angle ranges between two values, a maximum (advancing) angle and a minimum (receding) angle. These limiting angles are thought to be properties of the fluids and of the chemistry or topograph...

Sulfolobus turreted icosahedral virus (STIV) infects Sulfolobus species found in the hot springs of Yellowstone National Park. Its 37 open reading frames (ORFs) generally lack sequence similarity to other genes. One exception, however, is ORF B116. While its function is unknown, orthologs are found in three additional crenarchaeal viral families. Due to the central importance of this protein fa...

How is pictorial relief represented in visual awareness? Certainly not as a "depth map," but perhaps as a map of local surface attitudes (Koenderink & van Doorn, 1995). Here we consider the possibility that observers might instead, or concurrently, represent local surface shape, a geometrical invariant with respect to motions. Observers judge local surface shape, in a picture of a piece of scul...

The scaled-particle theory equation of state for the two-dimensional hard-disk fluid on a curved surface is proposed and used to determine the saddle-splay modulus of a particle-laden fluid interface. The resulting contribution to saddle-splay modulus, which is caused by thermal motion of the adsorbed particles, is comparable in magnitude with the saddlesplay modulus of a simple fluid interface.

Introduction: Non Endoscopic endo-nasal dacryocystorhinostomy retains the benefit of an Endo-nasal approach and can be done without using expensive video endoscope or laser system.
 Case presentation: A 22 years old female presented with epiphora medial canthal mass in her left eye, accompanied by discharge recurrent conjunctival congestion since childhood. Physical examination revealed lo...