This work concerns the theoretical description of quantum dynamics molecular junctions with thermal fluctuations and probability losses. To this end, we propose a theory for describing non-Hermitian systems embedded in constant-temperature environments. Along lines discussed [A. Sergi et al., Symmetry 10 518 (2018)], adopt operator-valued Wigner formulation mechanics (wherein density matrix dep...

We explore the conformations of an isolated chain molecule as it approaches an impenetrable planar surface, by exhaustive enumeration of all the three-dimensional self-avoiding flights on simple cubic lattices. We confirm the well-known results that as a chain approaches a surface, the number of accessible configurations diminishes, so there is an entropic repulsion, and the radius of gyration ...

The hydration thermodynamics of the amino acid X relative to the reference G (glycine) or the hydration thermodynamics of a small-molecule analog of the side chain of X is often used to model the contribution of X to protein stability and solution thermodynamics. We consider the reasons for successes and limitations of this approach by calculating and comparing the conditional excess free energ...

Complement C5 is a 189 kDa protein synthesized in liver as a single-chain precursor molecule. The precursor molecule is then cleaved to a disulfide linked two-chain glycoprotein consisting of a 115 kDa (C5α) and a 75 kDa N-terminal (C5β) chain. C5 is present in all the three known complement activation pathways: classical, alternative and lectin. C5α chain is cleaved by C5 convertases, which ar...

It is widely appreciated that the isotype of the H chain of the Ab molecule influences its functional properties. We have now investigated the contribution of the isotype of the L chain to the structural and functional properties of the Ab molecule. In these studies, the L chain variable region of a murine anti-dansyl Ab was joined to either human kappa or lambda constant region domains and exp...

We report the use of a phenylalkyl side chain modified donor molecule to increase the open-circuit voltage (Voc) of an organic photovoltaic device. The bulky side chain is able to alter the donor/acceptor interface without interfering in the molecular packing. As a result, both Voc and device performance are improved.

A molecule of rabbit yG-globulin’ evidently consists of four polypeptide chains held together by interchain disulfide bonds and noncovalent interactions. Each molecule comprises a pair of similar or identical “light” chains having an approximate molecular weight of 20,000, and another pair of “heavy” chains of weight 50,000 to 55,000 (2-7). Each light chain is linked to a heavy chain and the tw...

A molecule of rabbit yG-globulin’ evidently consists of four polypeptide chains held together by interchain disulfide bonds and noncovalent interactions. Each molecule comprises a pair of similar or identical “light” chains having an approximate molecular weight of 20,000, and another pair of “heavy” chains of weight 50,000 to 55,000 (2-7). Each light chain is linked to a heavy chain and the tw...

Chain molecules play a key role in the polymer field and living cells. Our focus is on new homopolymer model of linear chain molecule subject to an attractive self-interaction promoting compactness. We analyze using simple analytic arguments complemented by extensive computer simulations. find several striking results: there first-order transition from high-temperature random coil phase highly ...

We consider the generalization of the Kramers escape over a barrier problem to the case of a long chain molecule. The problem involves the motion of a chain molecule of N segments across a region where the free energy per segment is higher, so that it has to cross a barrier. We consider the limit where the length of the molecule is much larger than the width of the barrier. The width is taken t...