BACKGROUND Understanding the behavior of birds in agricultural habitats can be the first step in evaluating the conservation implications of birds' use of landscapes shaped by modern agriculture. The existence and magnitude of risk from agricultural practices and the quality of resources agricultural lands provide will be determined largely by how birds use these habitats. Buff-breasted Sandpip...

In two prior articles, I demonstrated from extensive simulational studies by myself and others that the Rouse model of polymer dynamics is invalid in melts dilute solution. However, foundational basis for most modern theories polymeric fluid dynamics, such as reptation/scaling models. One therefore rationally asks whether there a replacement. There is, namely extending Kirkwood–Riseman model. H...

Numbers of wintering sea ducks, including buffleheads (Bucephala albeola; BUFF), common goldeneyes (Bucephala clangula; COGO), and long-tailed ducks (Clangula hyemalis; LTDU), increased substantially at Lake Ontario after Dreissenid mussels (Dreissena bugensis and D. polymorpha) colonized the Great Lakes. Invertebrates, including Dreissenid mussels, are major diving duck prey items that can tra...

The effect of molecular architecture of a surfactant, particularly the attachment position of benzene sulfonate on the hexadecane backbone, at the decane-water interface was investigated using atomistic MD simulations. We consider a series of surfactant isomers in the family of alkyl benzene sulfonates, denoted by m-C16, indicating a benzene sulfonate group attached to the mth carbon in a hexad...

Using molecular dynamics (MD) simulations in conjunction with the SPC/E water model, we optimize ionic force-field parameters for seven different halide and alkali ions, considering a total of eight ion-pairs. Our strategy is based on simultaneous optimizing single-ion and ion-pair properties, i.e., we first fix ion-water parameters based on single-ion solvation free energies, and in a second s...

We develop force field parameters for the divalent cations Mg(2+), Ca(2+), Sr(2+), and Ba(2+) for molecular dynamics simulations with the simple point charge-extended (SPC/E) water model. We follow an approach introduced recently for the optimization of monovalent ions, based on the simultaneous optimization of single-ion and ion-pair properties. We consider the solvation free energy of the div...

Protein-protein interactions were investigated for α-chymotrypsinogen by static and dynamic light scattering (SLS and DLS, respectively), as well as small-angle neutron scattering (SANS), as a function of protein and salt concentration at acidic conditions. Net protein-protein interactions were probed via the Kirkwood-Buff integral G22 and the static structure factor S(q) from SLS and SANS data...

Abstract We considered a long-range Ising model under Glauber dynamics and calculated the difference from mean-field approximation in finite-size system using perturbation theory. To deal with Bogoliubov–Born–Green–Kirkwood–Yvon hierarchy, we assumed that certain types of extensive properties have Gaussian distribution, which turned out to be equivalent Kirkwood superposition within range first...