Digital Commons Network^™

Interplay Of Hydrogen Bonds And N→Π* Interactions In Proteins, Gail J. Bartlett, Robert W. Newberry, Brett Vanveller, Ronald T. Raines, Derek N. Woolfson

Brett VanVeller

Protein structures are stabilized by multiple weak interactions, including the hydrophobic effect, hydrogen bonds, electrostatic effects, and van der Waals interactions. Among these interactions, the hydrogen bond is distinct in having its origins in electron delocalization. Recently, another type of electron delocalization, the n→π* interaction between carbonyl groups, has been shown to play a role in stabilizing protein structure. Here we examine the interplay between hydrogen bonding and n→π* interactions. To address this issue, we used data available from high-resolution protein crystal structures to interrogate asparagine side-chain oxygen atoms that are both acceptors of a hydrogen bond and donors of …

Detection Of Boronic Acids Through Excited-State Intramolecular Proton-Transfer Fluorescence, Matthew R. Aronoff, Brett Vanveller, Ronald T. Raines

Brett VanVeller

Boronic acids are versatile reagents for the chemical synthesis of organic molecules. They and other boron-containing compounds can be detected readily by the interruption of the excited-state intramolecular proton transfer (ESIPT) of 10-hydroxybenzo[h]quinolone. This method is highly sensitive and selective, and useful for monitoring synthetic reactions and detecting boron-containing compounds on a solid support.

Finite-Temperature Properties Of Strongly Correlated Fermions In The Honeycomb Lattice, Baoming Tang, Thereza Paiva, Ehsan Khatami, Marchos Rigol

Ehsan Khatami

We study finite-temperature properties of strongly interacting fermions in the honeycomb lattice using numerical linked-cluster expansions and determinantal quantum Monte Carlo simulations. We analyze a number of thermodynamic quantities, including the entropy, the specific heat, uniform and staggered spin susceptibilities, short-range spin correlations, and the double occupancy at and away from half filling. We examine the viability of adiabatic cooling by increasing the interaction strength for homogeneous as well as for trapped systems. For the homogeneous case, this process is found to be more efficient at finite doping than at half filling. That, in turn, leads to an efficient adiabatic …

Laminar Flow Of Two Miscible Fluids In A Simple Network, Casey Karst, Brian Storey, John B. Geddes

Brian Storey

When a fluid comprised of multiple phases or constituents flows through a network, nonlinear phenomena such as multiple stable equilibrium states and spontaneous oscillations can occur. Such behavior has been observed or predicted in a number of networks including the flow of blood through the microcirculation, the flow of picoliter droplets through microfluidic devices, the flow of magma through lava tubes, and two-phase flow in refrigeration systems. While the existence of nonlinear phenomena in a network with many inter-connections containing fluids with complex rheology may seem unsurprising, this paper demonstrates that even simple networks containing Newtonian fluids in laminar flow …

A Divalent Protecting Group For Benzoxaboroles, Brett Vanveller, Matthew R. Aronoff, Ronald T. Raines

Brett VanVeller

1-Dimethylamino-8-methylaminonaphthalene is put forth as a protecting group for benzoxaboroles. The ensuing complex is fluorescent, charge-neutral, highly stable under basic conditions, stable to anhydrous acid, and readily cleavable in aqueous acid to return the free benzoxaborole.

Precise Radial Velocities Of Giant Stars V. A Brown Dwarf And A Planet Orbiting The K Giant Stars Tau Geminorum And 91 Aquarii, David Mitchell

David Mitchell

Aims. We aim to detect and characterize substellar companions to K giant stars to further our knowledge of planet formation and

stellar evolution of intermediate-mass stars.

Methods. For more than a decade we have used Doppler spectroscopy to acquire high-precision radial velocity measurements of

K giant stars. All data for this survey were taken at Lick Observatory. Our survey includes 373 G and K giants. Radial velocity data

showing periodic variations were fitted with Keplerian orbits using a χ2 minimization technique.

Results. We report the presence of two substellar companions to the K giant stars τ Gem and 91 Aqr. …

N→Π* Interactions Of Amides And Thioamides: Implications For Protein Stability, Robert W. Newberry, Brett Vanveller, Ilia A. Guzei, Ronald T. Raines

Brett VanVeller

Carbonyl–carbonyl interactions between adjacent backbone amides have been implicated in the conformational stability of proteins. By combining experimental and computational approaches, we show that relevant amidic carbonyl groups associate through an n→π* donor–acceptor interaction with an energy of at least 0.27 kcal/mol. The n→π* interaction between two thioamides is 3-fold stronger than between two oxoamides due to increased overlap and reduced energy difference between the donor and acceptor orbitals. This result suggests that backbone thioamide incorporation could stabilize protein structures. Finally, we demonstrate that intimate carbonyl interactions are described more completely as donor–acceptor orbital interactions rather than dipole–dipole interactions.

Laminar Flow Of Two Miscible Fluids In A Simple Network, Casey Karst, Brian Storey, John Geddes

John B. Geddes

When a fluid comprised of multiple phases or constituents flows through a network, nonlinear phenomena such as multiple stable equilibrium states and spontaneous oscillations can occur. Such behavior has been observed or predicted in a number of networks including the flow of blood through the microcirculation, the flow of picoliter droplets through microfluidic devices, the flow of magma through lava tubes, and two-phase flow in refrigeration systems. While the existence of nonlinear phenomena in a network with many inter-connections containing fluids with complex rheology may seem unsurprising, this paper demonstrates that even simple networks containing Newtonian fluids in laminar flow …

Causes Of Uprooting And Breakage Of Specimen Giant Sequoia Trees, Douglas D. Piirto, W. Wayne Wilcox, John R. Parmeter, Jr., David L. Wood

Douglas D. Piirto

A study of the causes of uprooting and stem failure in old-growth giant sequoia (Sequoia gigantea [Lindl.] Decne) indicated many factors, depending upon the type of failure (by root, stem, or earth). Advanced decay and fire scars were the most frequently associated with failure. In 21 of 33 study trees, one-third or more of the roots were judged too decayed to provide support. Twenty-seven study trees possessed basal fire scars, and 26 fell toward the scarred side. Nine Basidiomycetes, including Fomes annosus, Poria albipellucida, Poria incrassata, and Armillaria mellea, were associated with decayed wood. Carpenter ants were found in or …

Fluctuation-Dissipation Theorem In An Isolated System Of Quantum Dipolar Bosons After A Quench, Ehsan Khatami, Guido Pupillo, Mark Srednicki, Marcos Rigol

Ehsan Khatami

We examine the validity of fluctuation-dissipation relations in isolated quantum systems taken out of equilibrium by a sudden quench. We focus on the dynamics of trapped hard-core bosons in one-dimensional lattices with dipolar interactions whose strength is changed during the quench. We find indications that fluctuation-dissipation relations hold if the system is nonintegrable after the quench, as well as if it is integrable after the quench if the initial state is an equilibrium state of a nonintegrable Hamiltonian. On the other hand, we find indications that they fail if the system is integrable both before and after quenching.