Strong correlations produce the Curie-Weiss phase of NaxCoO2

Within the t-J model we study several experimentally accessible properties of the 2D-triangular lattice system NaxCoO2, using a numerically exact canonical ensemble study of 12 to 18 site triangular toroidal clusters as well as the icosahedron. Focusing on the doping regime of x approximately 0.7, we study the temperature dependent specific heat, magnetic susceptibility, and the dynamic Hall coefficient R_{H}(T,omega) as well as the magnetic field dependent thermopower. We find a crossover between two phases near x approximately 0.75 in susceptibility and field suppression of the thermopower arising from strong correlations. An interesting connection is found between the temperature dependence of the diamagnetic susceptibility and the Hall coefficient. We predict a large thermopower enhancement, arising from transport corrections to the Heikes-Mott formula, in a model situation where the sign of hopping is reversed from that applicable to NaxCoO2.     

Absolute branching fraction measurements for D+ and D0 inclusive semileptonic decays

We present measurements of the inclusive branching fractions for the decays D+-->Xe+ nu(e) and D0-->Xe+ nu(e), using 281 pb(-1) of data collected on the psi(3770) resonance with the CLEO-c detector. We find B(D0-->Xe+ nu(e)) = (6.46+/-0.17+/-0.13)% and B(D+-->Xe+ nu(e)) = (16.13+/-0.20+/-0.33)%. Using the known D meson lifetimes, we obtain the ratio Gamma(D+)sl/Gamma(D0)sl = 0.985+/-0.028+/-0.015, confirming isospin invariance at the level of 3%. The positron momentum spectra from D+ and D0 have consistent shapes.     

Queue inference from periodic reporting data

We introduce new algorithms for queue inference problems involving periodic reporting data. We assume that in each of several consecutive time periods, new customer arrivals follow a Poisson process with period-specific arrival rates, but only the number of departing customers during each period is observed. Rather than exploiting relations with order statistics, our algorithms rely on direct recursions involving Poisson probabilities. We illustrate with several examples, some of which are not typically viewed as queueing applications.     

Cytotoxicity of Bacterial-Derived Toxins to Immortal Lung Epithelial and Macrophage Cells

Health risks associated with inhalation and deposition of biological materials have been a topic of great concern due to highly publicized cases of inhalation anthrax, of new regulations on the release of particulate matter, and to increased concerns on the hazards of indoor air pollution. Here, we present an evaluation of the sensitivity of two immortal cell lines (A549, human lung carcinoma epithelia) and NR8383 (rat alveolar macrophages) to a variety of bacterial-derived inhalation hazards and simulants including etoposide, gliotoxin, streptolysin O, and warfarin. The cell response is evaluated through quantification of changes in mitochondrial succinate dehydrogenase activity, release of lactate dehydrogenase, initiation of apoptosis, and through changes in morphology as determined by visible light microscopy and scanning electron microscopy. These cells display dose–response relations to each toxin, except for triton which has a step change response. The first observable responses of the epithelial cells to these compounds are changes in metabolism for one toxin (warfarin) and alterations in membrane permeability for another (gliotoxin). The other four toxins display a similar time course in response as gauged by changes in metabolism and loss of membrane integrity. Macrophages are more sensitive to most toxins; however, they display a lower level of stability. This information can be used in the design of cell-based sensors responding to these and similar hazards.     

Scanning electrochemical microscopy determination of organic soluble MPC electron-transfer rates

In this paper, we describe a novel method for measuring the forward heterogeneous electron-transfer rate constant (kf) through the thiol monolayer of gold monolayer protected clusters (MPCs) in solution using scanning electrochemical microscopy (SECM). Applying the equations for mixed mass-transfer and electron-transfer processes, we develop a new formula using only the diffusion coefficient and the tip radius and use it as part of a new method for evaluating SECM approach curves. This method is applied to determine the electron-transfer rates from a series of SECM approach curves for monodisperse hexanethiol MPCs and for polydisperse hexanethiol, octanethiol, decanethiol, dodecanethiol, and 2-phenyethylthiol gold MPCs. Our results show that as the alkanethiol length increases the rate of electron transfer decreases in a manner consistent with the previously proposed tunneling mechanism for the electron transfer in MPCs. However, the effective tunneling coefficient, Beta, is found to be only 0.41 A-1 for alkanethiol passivated MPCs compared to typical values of 1.1 A-1 for alkanethiols as self-assembled monolayers on two-dimensional gold substrates. Similar SECM approach curve results for Pt and Au MPCs indicate that the electron-transfer rate is dependent mostly on the composition of the thiol layer and not on differences in the core metal.     

Determination of the hydrogen absorption sites in Zn4O(1,4-benzenedicarboxylate) by single crystal neutron diffraction

A variable temperature (5-300 K) single crystal Laue neutron diffraction study has been conducted, and the gas absorption sites within hydrogen-loaded Zn(4)O(1,4-benzenedicarboxylate) have been located.     

Charmonium Decays of Y(4260), psi(4160), and psi(4040)

Using data collected with the CLEO detector operating at the CESR e+e- collider at sqrt[s]=3.97-4.26 GeV, we investigate 15 charmonium decay modes of the psi(4040), psi(4160), and Y(4260) resonances. We confirm, at 11 sigma significance, the BABAR Y(4260)-->pi+pi- J/psi discovery, make the first observation of Y(4260)--> pi(0)pi(0) J/psi (5.1 sigma), and find the first evidence for Y(4260)-->K+K- J/psi(3.7 sigma). We measure e+e- cross sections at sqrt[s]=4.26 GeV as sigma(pi+pi- J/psi)=58(+12)(-10)+/-4 pb, sigma(pi(0)pi(0) J/psi)=23(+12)(-8)+/-1 pb, and sigma(K+K- J/psi)=9(+9)(-5)+/-1 pb, in which the uncertainties are statistical and systematic, respectively. Upper limits are placed on other decay rates from all three resonances.     

Application of palladium-catalyzed allylic arylation to the synthesis of a (+/-)-7-deoxypancratistatin analogue

Palladium-catalyzed coupling of an aryl siloxane and an allylic carbonate proceeded in good yield to give an adduct that was converted to an analogue of (+/-)-7-deoxypancratistatin.     

Improved CoMFA modeling by optimization of settings

The possibility of improving the predictive ability of comparative molecular field analysis (CoMFA) by settings optimization has been evaluated to show that CoMFA predictive ability can be improved. Ten different CoMFA settings are evaluated, producing a total of 6120 models. This method has been applied to nine different data sets, including the widely used benchmark steroid data set, as well as eight other data sets proposed as QSAR benchmarking data sets by Sutherland et al. (J. Med. Chem. 2004, 47, 5541-5554). All data sets have been studied using training and test sets to allow for both internal (q(2)) and external (r(2)(pred)) predictive ability assessment. CoMFA settings optimization was successful in developing models with improved q(2) and r(2)(pred) as compared to default CoMFA modeling. Optimized CoMFA is compared with comparative molecular similarity indices analysis (CoMSIA) and holographic quantitative structure-activity relationship (HQSAR) models and found to consistently produce models with improved or equivalent q(2) and r(2)(pred). The ability of settings optimization to improve model predictive ability has been validated using both internal and external predictions, and the risk of chance correlation has been evaluated using response variable randomization tests.     

Copper Sulfide Nanodisks and Nanoprisms for Photoacoustic Ovarian Tumor Imaging

Transvaginal ultrasound is widely used for ovarian cancer screening but has a high false‐positive rate. Photoacoustic imaging provides additional optical contrast to supplement ultrasound and might be able to improve the accuracy of screening. Two copper sulfide (CuS) nanoparticle types (nanodisks and triangular nanoprisms) are reported as photoacoustic contrast agents for imaging ovarian cancer. Both CuS nanoprisms and nanodisks are ≈6 nm thick and ≈26 nm wide and are coated with poly(ethylene glycol) to make them colloidally stable in phosphate‐buffered saline for at least two weeks. The CuS nanodisks and nanoprisms reveal strong localized surface plasmon resonances with peak maxima at 1145 and 1098 nm, respectively. Both nanoparticle types have strong and stable photoacoustic intensity with detection limits below 120 pm . The circular CuS nanodisk remains in the circulation of nude mice (n = 4) and xenograft 2008 ovarian tumors (n = 4) 17.9‐fold and 1.8‐fold more than the triangular nanoprisms, respectively. Finally, the photoacoustic intensity of the tumors from the mice (n = 3) treated with CuS nanodisks is threefold higher than the baseline. The tumors treated with nanodisks have a characteristic peak at 920 nm in their spectrum to potentially differentiate the tumor from adjacent tissues.