Quasi-Chemical and Structural Analysis of Polarizable Anion Hydration

Quasi-chemical theory is utilized to analyze the roles of solute polarization and size in determining the structure and thermodynamics of bulk anion hydration for the Hofmeister series Cl$^-$, Br$^-$, and I$^-$. Excellent agreement with experiment is obtained for whole salt hydration free energies using the polarizable AMOEBA force field. The quasi-chemical approach exactly partitions the solvation free energy into inner-shell, outer-shell packing, and outer-shell long-ranged contributions by means of a hard-sphere condition. Small conditioning radii, even well inside the first maximum of the ion-water(oxygen) radial distribution function, result in Gaussian behavior for the long-ranged contribution that dominates the ion hydration free energy. The spatial partitioning allows for a mean-field treatment of the long-ranged contribution, leading to a natural division into first-order electrostatic, induction, and van der Waals terms. The induction piece exhibits the strongest ion polarizability dependence, while the larger-magnitude first-order electrostatic piece yields an opposing but weaker polarizability dependence. In addition, a structural analysis is performed to examine the solvation anisotropy around the anions. As opposed to the hydration free energies, the solvation anisotropy depends more on ion polarizability than on ion size: increased polarizability leads to increased anisotropy. The water dipole moments near the ion are similar in magnitude to bulk water, while the ion dipole moments are found to be significantly larger than those observed in quantum mechanical studies. Possible impacts of the observed over-polarization of the ions on simulated anion surface segregation are discussed.Comment: slight revision, in press at J. Chem. Phy

Synchronization by Reactive Coupling and Nonlinear Frequency Pulling

We present a detailed analysis of a model for the synchronization of nonlinear oscillators due to reactive coupling and nonlinear frequency pulling. We study the model for the mean field case of all-to-all coupling, deriving results for the initial onset of synchronization as the coupling or nonlinearity increase, and conditions for the existence of the completely synchronized state when all the oscillators evolve with the same frequency. Explicit results are derived for Lorentzian, triangular, and top-hat distributions of oscillator frequencies. Numerical simulations are used to construct complete phase diagrams for these distributions

Body fluid volume and electrolyte derangements in fasting semiannual report no. 1, dec. 1, 1964 - mar. 31, 1965

Electrolyte balance studies on rats maintained in metabolism cages - body fluid volume and electrolyte derangements by fasting in col

A Feynman-Kac Formula for Anticommuting Brownian Motion

Motivated by application to quantum physics, anticommuting analogues of Wiener measure and Brownian motion are constructed. The corresponding Ito integrals are defined and the existence and uniqueness of solutions to a class of stochastic differential equations is established. This machinery is used to provide a Feynman-Kac formula for a class of Hamiltonians. Several specific examples are considered.Comment: 21 page

The provision of distance education within the HE sector - some areas for concern

This paper presents a summary of the findings of a recent survey of the way in which UK higher education institutions (HEIs) are offering distance education (DE) courses, the types of courses being offered, and their modes of delivery. From analysis of the findings of this survey, it is apparent that the emphasis of HEIs is very much on the exploitation of available teaching technology in the delivery of DE courses. However, teaching at a distance is quite different from face-toface teaching, and the evidence suggests that many HEIs fail to implement any meaningful academic staff training for the new role of DE tutor. The authors consider the difficulties this presents to academic staff who are required to move from face-to-face teaching to online facilitating. The paper concludes with an examination of the current provision of staff development and training within UK HEIs and suggests the type of academic staff training required if DE courses are to become truly core activities

Old and New Fields on Super Riemann Surfaces

The ``new fields" or ``superconformal functions" on $N=1$ super Riemann surfaces introduced recently by Rogers and Langer are shown to coincide with the Abelian differentials (plus constants), viewed as a subset of the functions on the associated $N=2$ super Riemann surface. We confirm that, as originally defined, they do not form a super vector space.Comment: 9 pages, LaTex. Published version: minor changes for clarity, two new reference

Assignment of the NV0 575 nm zero-phonon line in diamond to a 2E-2A2 transition

The time-averaged emission spectrum of single nitrogen-vacancy defects in diamond gives zero-phonon lines of both the negative charge state at 637 nm (1.945 eV) and the neutral charge state at 575 nm (2.156 eV). This occurs through photo-conversion between the two charge states. Due to strain in the diamond the zero-phonon lines are split and it is found that the splitting and polarization of the two zero-phonon lines are the same. From this observation and consideration of the electronic structure of the nitrogen-vacancy center it is concluded that the excited state of the neutral center has A2 orbital symmetry. The assignment of the 575 nm transition to a 2E - 2A2 transition has not been established previously.Comment: 5 pages, 5 figure

A Rigorous Path Integral for Supersymmetric Quantum Mechanics and the Heat Kernel

In a rigorous construction of the path integral for supersymmetric quantum mechanics on a Riemann manifold, based on B\"ar and Pf\"affle's use of piecewise geodesic paths, the kernel of the time evolution operator is the heat kernel for the Laplacian on forms. The path integral is approximated by the integral of a form on the space of piecewise geodesic paths which is the pullback by a natural section of Mathai and Quillen's Thom form of a bundle over this space. In the case of closed paths, the bundle is the tangent space to the space of geodesic paths, and the integral of this form passes in the limit to the supertrace of the heat kernel.Comment: 14 pages, LaTeX, no fig

Synchronization by Nonlinear Frequency Pulling

We analyze a model for the synchronization of nonlinear oscillators due to reactive coupling and nonlinear frequency pulling motivated by the physics of arrays of nanoscale oscillators. We study the model for the mean field case of all-to-all coupling, deriving results for the onset of synchronization as the coupling or nonlinearity increase, and the fully locked state when all the oscillators evolve with the same frequency

The effects of donepezil in Alzheimer's disease - Results from a multinational trial

Donepezil has been shown to be well tolerated and to improve cognition and global function in patients with mild to moderately severe Alzheimer's disease (AD). The current trial was undertaken to investigate further the efficacy and safety of donepezil, in a multinational setting, in patients with mild to moderately severe AD. This 30-week, placebo-controlled, parallel-group study consisted of a 24-week, double-blind treatment phase followed by a 6-week, single-blind, placebo washout. Eight hundred and eighteen patients with mild to moderately severe AD were randomly allocated to treatment with single, daily doses of 5 or 10 mg donepezil, or placebo. The two primary efficacy measures were: a cognitive performance test, the Alzheimer's Disease Assessment Scale-cognitive subscale (ADAS-cog) and a global evaluation, the Clinician's Interview-Based Impression of Change with caregiver input (CIBIC plus). Secondary outcome measures included the Sum of the Boxes of the Clinical Dementia Rating Scale (CDR-SB), a modified Interview for Deterioration in Daily living activities in Dementia (IDDD) and a patient-rated quality of life assessment. Statistically significant improvements in cognitive and global function were observed, as evaluated by ADAS-cog and CIBIC plus, respectively, in both the 5 and 10 mg/day donepezil groups, compared with placebo. Treatment-associated changes were also observed in functional skills, as shown by improved scores on the CDR-SB and the complex-tasks component of the IDDD. A dose-response effect was evident, with the 10 mg/day donepezil group demonstrating greater benefits in all outcome measures than the 5 mg/day group. Donepezil was well tolerated by this patient population and did not produce any clinically significant laboratory test abnormalities. The results of this study confirm that donepezil is effective and well tolerated in treating the symptoms of mild to moderately severe AD