Ab initio calculations are performed to elucidate the mechanism of the photoisomerization of
azobenzene. We obtain the excitation energies of the S 1 (n→π * ), S 2 (π→π * ), and S 3 (n …

Concern is continuously raised regarding the safety of preservatives, which are crucial in
most cosmetic preparations. The antimicrobial effects of silver (Ag) are well recognized; …

Background Human gut microbiota is involved in host health and disease development.
Investigations of age-related and sex-related alterations in gut microbiota are limited, and the …

Non‐Newtonian and non‐isothermal flow simulations based on 3‐D FEM were applied to a
special and conventional elements of a twin‐screw extruder. The screw mixing element (SME…

The presence of solvents is essential in all steps of pharmaceutical processes (reaction,
separation, and formulation). For toxicological reasons, drug manufacturers are increasingly …

Background NK cells can destroy tumor cells without prior sensitization or immunization.
Tumors often lose expression of MHC molecules and/or antigens. However, NK cells can lyse …

Purpose: Preparative lymphodepletion, the temporal ablation of the immune system, has
been reported to promote persistence of transferred cells along with increased rates of tumor …

Computer-aided molecular design (CAMD) provides a means for determining molecules or
mixtures of molecules (CAMMD) having a desirable set of physicochemical properties. The …

Background and Aims: Tumor necrosis factor‐α (TNF‐α) is a potent pro‐inflammatory
cytokine thought to be involved in the pathogenesis of inflammatory bowel disease. To further …

We performed fragment molecular orbital (FMO) calculations to examine the molecular
interactions between the prion protein (PrP) and GN8, which is a potential curative agent for prion …