Cage effect in supercooled molecular liquids: Local anisotropies and collective solid-like response

Both local geometry and collective extended excitations drive the moves of a particle in the cage of its neighbours in dense liquids. The strength of their influence is investigated by the molecular dynamics simulations of a supercooled liquid of fully flexible trimers with semirigid or rigid bonds. The rattling in the cage is investigated on different length scales. First, the rattling anisotropy due to local order is characterized by two order parameters sensing the monomers succeeding or failing to escape from the cage. Then the collective response of the surroundings excited by the monomer-monomer collisions is considered. The collective response is initially restricted to the nearest neighbours of the colliding particle by a Voronoi analysis revealing elastic contributions. Then the long-range excitation of the farthest neighbours is scrutinised by searching spatially extended correlations between the simultaneously fast displacements of the caged particle and the surroundings. It is found that the longitudinal component has stronger spatial modulation than the transverse one with a wavelength of about one particle diameter, in close resemblance with experimental findings on colloids. It is concluded that the cage rattling is largely affected by solid-like extended modes

Stable Polyglutamine Dimers Can Contain β-Hairpins with Interdigitated Side Chains But Not α-Helices, β-Nanotubes, β-Pseudohelices, or Steric Zippers

AbstractA common thread connecting nine fatal neurodegenerative protein aggregation diseases is an abnormally expanded polyglutamine tract found in the respective proteins. Although the structure of this tract in the large mature aggregates is increasingly well described, its structure in the small early aggregates remains largely unknown. As experimental evidence suggests that the most toxic species along the aggregation pathway are the small early ones, developing strategies to alleviate disease pathology calls for understanding the structure of polyglutamine peptides in the early stages of aggregation. Here, we present a criterion, grounded in available experimental data, that allows for using kinetic stability of dimers to assess whether a given polyglutamine conformer can be on the aggregation path. We then demonstrate that this criterion can be assessed using present-day molecular dynamics simulations. We find that although the α-helical conformer of polyglutamine is very stable, dimers of α-helices lack the kinetic stability necessary to support further oligomerization. Dimers of steric zipper, β-nanotube, and β-pseudohelix conformers are also too short-lived to initiate aggregation. The β-hairpin-containing conformers, instead, invariably form very stable dimers when their side chains are interdigitated. Combining these findings with the implications of recent solid-state NMR data on mature fibrils, we propose a possible pathway for the initial stages of polyglutamine aggregation, in which β-hairpin-containing conformers act as templates for fibril formation

Hard X-ray techniques suitable for polymer experiments

Polymers have been studied since 1979 with 8-12 keV synchrotron radiation X-ray scattering methods and the number and sophistication of the experiments have rapidly grown ever since. More recently, new experimental techniques have been developed that use softer or harder X rays in less conventional ways. This article provides a brief overview of the possibilities of hard X-ray techniques and indicates some areas that might gain from further developments

The Effect of Chirality on DNA Threading: Exploring Binuclear Ruthenium lntercalators Using Optical Tweezers

Using optical tweezers, we have been able to study the interactions of small molecules and prospective cancer drugs with DNA. One type of these molecules, known as threading intercalators, has a flat planar intercalating moiety in between the molecule’s bulky ancillary supporting ligands. In order to bind with DNA, they have to thread their bulky ancillary ligands in between the DNA base pairs. Due to this requirement for binding, these molecules tend to have high binding affinities and slow kinetics. In this thesis, we explore the binding properties of a ruthenium-based threading intercalator -[μ-bidppz(phen)4Ru2]4+, or -P for short. The goal being to compare the binding properties of this complex with the previously studied -P complex, which has the exact chemical components but an opposite chirality (handedness). Our data suggests that left-handed molecules (-P) bind less favorably to DNA with slower binding kinetics and lower binding affinity than the right-handed molecules (-P). These differences are explained by the nano-scale structural changes that occur at the molecular level during the threading intercalation process. This comparison provides us a better understanding of how chirality affects the binding to DNA and will contribute towards improved designs of potential cancer treatment drugs

ELECTRICAL MEASUREMENTS AT THE MICRO SCALE: AIR BREAKDOWN AND Si COULOMB BLOCKADE DEVICES

In this thesis I describe the work performed in two different areas of research, electrical breakdown of air for small electrode separations and measurements of silicon (Si)-based tunable-barrier single electron transistors (SETs). In this work, I describe a new method for measuring the breakdown of air for the range of electrode separation of interest. This method has several advantages compared to ones found in the literature, namely it allows for a measurement of electrode separation before each breakdown measurement; it has a parallel plate geometry and the surface roughness of the electrodes used is very small. Using the results obtained with this method I have made a quantitative comparison between the predictions of the standard theory of the field (field emission of electrons) and our data, something that has not been done before. In this thesis I describe analytically both the theory and the analysis of our data. I conclude that the standard theory used in this field fails for the range of electrode separations of interest (400 nm to 45 μm). Also, I describe electrical measurements performed on a Si-based tunable-barrier device fabricated in the group of Neil Zimmerman at the National Institute of Standards and Technology (NIST) using the fabrication facilities of Cornell University. I demonstrate that this device can be operated as an SET. I continue by describing measurements of the charge offset drift (Q0(t)) for this device and show that it is almost 3 orders of magnitude smaller than in metal devices, and comparable to previously measured Si devices of this type. All of the previously measured devices originated from the same fabrication source, NTT, Japan. Our ability to demonstrate the same low drift in devices fabricated at Cornell, USA, indicates that the small values of Q0(t) is a robust property of Si-based devices, and not sensitive to the details of fabrication

NASA Tech Briefs, March 2008

Topics covered include: WRATS Integrated Data Acquisition System; Breadboard Signal Processor for Arraying DSN Antennas; Digital Receiver Phase Meter; Split-Block Waveguide Polarization Twist for 220 to 325 GHz; Nano-Multiplication-Region Avalanche Photodiodes and Arrays; Tailored Asymmetry for Enhanced Coupling to WGM Resonators; Disabling CNT Electronic Devices by Use of Electron Beams; Conical Bearingless Motor/Generators; Integrated Force Method for Indeterminate Structures; Carbon-Nanotube-Based Electrodes for Biomedical Applications; Compact Directional Microwave Antenna for Localized Heating; Using Hyperspectral Imagery to Identify Turfgrass Stresses; Shaping Diffraction-Grating Grooves to Optimize Efficiency; Low-Light-Shift Cesium Fountain without Mechanical Shutters; Magnetic Compensation for Second-Order Doppler Shift in LITS; Nanostructures Exploit Hybrid-Polariton Resonances; Microfluidics, Chromatography, and Atomic-Force Microscopy; Model of Image Artifacts from Dust Particles; Pattern-Recognition System for Approaching a Known Target; Orchestrator Telemetry Processing Pipeline; Scheme for Quantum Computing Immune to Decoherence; Spin-Stabilized Microsatellites with Solar Concentrators; Phase Calibration of Antenna Arrays Aimed at Spacecraft; Ring Bus Architecture for a Solid-State Recorder; and Image Compression Algorithm Altered to Improve Stereo Ranging

Light Matter Interaction in Single Molecule Magnets

This dissertation includes a series of experimental realizations which focus on studying the coupling between photons and single-molecule magnets (SMMs) in both the weak and strong coupling regimes. In the weak coupling regime, the aim is to achieve coherent control over the time evolution of the spin of SMMs while applying rapid microwave pulses at sub-Kelvin temperatures, where polarization of the spin bath may be achieved without large magnetic fields, allowing the suppression of dipolar dephasing. The continuing results of this experiment will be to provide a window into fundamental sources of decoherence in single-crystal SMMs in an energy range not thoroughly investigated. We expect that these conditions would allow us to study the quantum dynamics of the spins as governed by the intrinsic molecular magnetic anisotropy, which should give rise to non-well-defined Rabi oscillations of the spin state, including metastable precessional spin states. In the strong coupling regime, high quality factor superconducting CPW resonators have been designed and fabricated to investigate the vacuum Rabi splitting between a photon and the SMM spin. The proposed setup will permit measurements of coherent collective coupling between molecular spins and a low number of photons, ideally down to a single photon. This experiment may ultimately provide the opportunity for reaching the strong coupling regime with a single spin. Finally, this thesis also documents a research study into the impact of service-learning methodology on students\u27 depth of learning and critical thinking skills during a novel nanoscale science and technology course offered in the UCF Physics Dept. The overall learning of students was assessed and results clearly showed improvement in both multiple choice pre/post-tests and critical reflection papers. We associate this improvement at least partially to the service-learning experience

The Reserve Advocate, 10-08-1921

https://digitalrepository.unm.edu/reserve_advocate_news/1009/thumbnail.jp