Unusual Presentation of Meckel's Diverticulitis Causing Small Bowel Obstruction Masquerading as Appendicitis.

Meckel's diverticulum (MD) is a prevalent congenital abnormality of the gastrointestinal tract. While it may not show any symptoms, it has the potential to cause serious complications, such as intestinal obstruction. This case report presents a case of a 27-year-old male who presented to the emergency department with migrating right lower abdomen pain and vomiting.

Malignant peripheral nerve sheath tumor of the pancreas-A case report.

Introduction: Nerve sheath tumors are tumors arising from nerve sheaths or which show nerve sheath differentiation. They are divided as benign and malignant. They are associated with Von Recklinghausen syndrome.

Automated Transition State Search and Its Application to Diverse Types of Organic Reactions.

Transition state search is at the center of multiple types of computational chemical predictions related to mechanistic investigations, reactivity and regioselectivity predictions, and catalyst design. The process of finding transition states in practice is, however, a laborious multistep operation that requires significant user involvement. Here, we report a highly automated workflow designed to locate transition states for a given elementary reaction with minimal setup overhead.

Entropy and enthalpy of interaction between amino acid side chains in nanopores.

Understanding the stabilities of proteins in nanopores requires a quantitative description of confinement induced interactions between amino acid side chains. We use molecular dynamics simulations to study the nature of interactions between the side chain pairs ALA-PHE, SER-ASN, and LYS-GLU in bulk water and in water-filled nanopores. The temperature dependence of the bulk solvent potentials of mean force and the interaction free energies in cylindrical and spherical nanopores is used to identify the corresponding entropic and enthalpic components.

Protein stability at a carbon nanotube interface.

The interactions of proteins with solid surfaces occur in a variety of situations. Motivated by the many nanoengineering applications of protein-carbon nanotube hybrids, we investigate the conformational transitions of hen egg white lysozyme adsorbed on a carbon nanotube. Using a C(α) structure-based model and replica exchange molecular dynamics, we show how the folding/unfolding equilibrium of the adsorbed protein varies with the strength of its coupling to the surface.