Isotopic replacement in ionic systems: the 4He2+ + 3He -> 3He4He+ + 4He reaction

Full quantum dynamics calculations have been carried out for the ionic reaction 4He2+ + 3He and state-to-state reactive probabilities have been obtained using both a time-dependent (TD) and a time-independent (TI) approach. An accurate ab-initio potential energy surface has been employed for the present quantum dynamics and the two sets of results are shown to be in agreement with each other. The results for zero total angular momentum suggest a marked presence of atom exchange (isotopic replacement) reaction with probabilities as high as 60%. The reaction probabilities are only weakly dependent on the initial vibrational state of the reactants while they are slightly more sensitive to the degree of rotational excitation. A brief discussion of the results for selected higher total angular momentum values is also presented, while the l-shifting approximation [1] has been used to provide estimates of the total reaction rates for the title process. Such rates are found to be large enough to possibly become experimentally accessible

Protein Structure Prediction: The Next Generation

Over the last 10-15 years a general understanding of the chemical reaction of protein folding has emerged from statistical mechanics. The lessons learned from protein folding kinetics based on energy landscape ideas have benefited protein structure prediction, in particular the development of coarse grained models. We survey results from blind structure prediction. We explore how second generation prediction energy functions can be developed by introducing information from an ensemble of previously simulated structures. This procedure relies on the assumption of a funnelled energy landscape keeping with the principle of minimal frustration. First generation simulated structures provide an improved input for associative memory energy functions in comparison to the experimental protein structures chosen on the basis of sequence alignment

A Survey for Transient Astronomical Radio Emission at 611 MHz

We have constructed and operated the Survey for Transient Astronomical Radio Emission (STARE) to detect transient astronomical radio emission at 611 MHz originating from the sky over the northeastern United States. The system is sensitive to transient events on timescales of 0.125 s to a few minutes, with a typical zenith flux density detection threshold of approximately 27 kJy. During 18 months of around-the-clock observing with three geographically separated instruments, we detected a total of 4,318,486 radio bursts. 99.9% of these events were rejected as locally generated interference, determined by requiring the simultaneous observation of an event at all three sites for it to be identified as having an astronomical origin. The remaining 3,898 events have been found to be associated with 99 solar radio bursts. These results demonstrate the remarkably effective RFI rejection achieved by a coincidence technique using precision timing (such as GPS clocks) at geographically separated sites. The non-detection of extra-solar bursting or flaring radio sources has improved the flux density sensitivity and timescale sensitivity limits set by several similar experiments in the 1970s. We discuss the consequences of these limits for the immediate solar neighborhood and the discovery of previously unknown classes of sources. We also discuss other possible uses for the large collection of 611 MHz monitoring data assembled by STARE.Comment: 24 pages, 6 figures; to appear in PAS

Dissociative electron attachment to the H2O molecule. II. Nuclear dynamics on coupled electronic surfaces within the local complex potential model

We report the results of a first-principles study of dissociative electron attachment to H2O. The cross sections are obtained from nuclear dynamics calculations carried out in full dimensionality within the local complex potential model by using the multi-configuration time-dependent Hartree method. The calculations employ our previously obtained global, complex-valued, potential-energy surfaces for the three (doublet B1, doublet A1, and doublet B2) electronic Feshbach resonances involved in this process. These three metastable states of H2O- undergo several degeneracies, and we incorporate both the Renner-Teller coupling between the B1 and A1 states as well as the conical intersection between the A1 and B2 states into our treatment. The nuclear dynamics are inherently multidimensional and involve branching between different final product arrangements as well as extensive excitation of the diatomic fragment. Our results successfully mirror the qualitative features of the major fragment channels observed, but are less successful in reproducing the available results for some of the minor channels. We comment on the applicability of the local complex potential model to such a complicated resonant system.Comment: Corrected version of Phys Rev A 75, 012711 (2007

Neoadjuvant Use of Photodynamic Therapy in Basal Cell and Squamous Cell Carcinomas of the Face

Background. This preliminary study sought to determine the success of photodynamic therapy (PDT) in reducing lesion size in an effort to assess the potential application of this treatment approach in a neoadjuvant role. Objectives. To quantify the effects of PDT on lesion area (mm2) for basal cell and squamous cell carcinomas of the face. Results. Eighteen participants (10 BCC lesions and 8 SCC lesions of the face) were assessed. Four lesions (all from the BCC group) showed a complete response to PDT. Of the remaining 14 lesions, 85.7% (n = 12) showed reductions in lesion area, while two lesions showed increase in lesion area. Proportional reductions for the 12 lesions that did not demonstrate complete response or an increase in area following-PDT were found to range from 13.2% to 85.1% (BCC) and 6.7% to 89.7% (SCC). Conclusions. PDT as a neoadjuvant treatment may provide a simple, efficient, and viable approach to reducing the area of malignant lesions of the face with the advantage of reduced cosmetic and aesthetic morbidities

A 23 GHz Survey of GRB Error Boxes

The Haystack 37-meter telescope was used in a pilot project in May 1995 to observe GRB error boxes at 23~GHz. Seven BATSE error boxes and two IPN arcs were scanned by driving the beam of the telescope rapidly across their area. For the BATSE error boxes, the radio observations took place two to eighteen days after the BATSE detection, and several boxes were observed more than once. Total power data were recorded continuously as the telescope was driven at a rate of 0.2~degrees/second, yielding Nyquist sampling of the beam with an integration time of 50~milliseconds, corresponding to a theoretical rms sensitivity of 0.5~Jy. Under conditions of good weather, this sensitivity was achieved. In a preliminary analysis of the data we detect only two sources, 3C273 and 0552+398, both catalogued sources that are known to be variable at 23~GHz. Neither had a flux density that was unusally high or low at the time of our observations.Comment: 5 pages, 1 postscript figure. To appear in Proceedings of the Third Huntsville Symposium on Gamma-Ray Bursts (eds. C. Kouveliotou, M. S. Briggs, and G. J. Fishman

Effective Temperatures of a Driven System Near Jamming

Fluctuations in a model of a sheared, zero-temperature foam are studied numerically. Five different quantities that reduce to the true temperature in an equilibrium thermal system are calculated. All five have the same shear-rate dependence, and three have the same value. Near the onset of jamming, the relaxation time is the same function of these three temperatures in the sheared system as of the true temperature in an unsheared system. These results imply that statistical mechanics is useful for the system and provide strong support for the concept of jamming.Comment: 4 pages, 4 postscript figure

Patient-reported reasons for declining or discontinuing statin therapy: Insights from the PALM registry

Background: Many adults eligible for statin therapy for cardiovascular disease prevention are untreated. Our objective was to investigate patient‐reported reasons for statin underutilization, including noninitiation, refusal, and discontinuation.Methods and Results: This study included the 5693 adults recommended for statin therapy in the PALM (Patient and Provider Assessment of Lipid Management) registry. Patient surveys evaluated statin experience, reasons for declining or discontinuing statins, and beliefs about statins and cardiovascular disease risk. Overall, 1511 of 5693 adults (26.5%) were not on treatment. Of those not on a statin, 894 (59.2%) reported never being offered a statin, 153 (10.1%) declined a statin, and 464 (30.7%) had discontinued therapy. Women (relative risk: 1.22), black adults (relative risk: 1.48), and those without insurance (relative risk: 1.38) were most likely to report never being offered a statin. Fear of side effects and perceived side effects were the most common reasons cited for declining or discontinuing a statin. Compared with statin users, those who declined or discontinued statins were less likely to believe statins are safe (70.4% of current users vs. 36.9% of those who declined and 37.4% of those who discontinued) or effective (86.3%, 67.4%, and 69.1%, respectively). Willingness to take a statin was high; 67.7% of those never offered and 59.7% of patients who discontinued a statin would consider initiating or retrying a statin.Conclusions: More than half of patients eligible for statin therapy but not on treatment reported never being offered one by their doctor. Concern about side effects was the leading reason for statin refusal or discontinuation. Many patients were willing to reconsider statin therapy if offered

Estimation of the hydraulic parameters of unsaturated samples by electrical resistivity tomography

In situ and laboratory experiments have shown that electrical resistivity tomography (ERT) is an effective tool to image transient phenomena in soils. However, its application in quantifying soil hydraulic parameters has been limited. In this study, experiments of water inflow in unsaturated soil samples were conducted in an oedometer equipped to perform three-dimensional electrical measurements. Reconstructions of the electrical conductivity at different times confirmed the usefulness of ERT for monitoring the evolution of water content. The tomographic reconstructions were subsequently used in conjunction with a finite-element simulation to infer the water retention curve and the unsaturated hydraulic conductivity. The parameters estimated with ERT agree satisfactorily with those determined using established techniques, hence the proposed approach shows good potential for relatively fast characterisations. Similar experiments could be carried out on site to study the hydraulic behaviour of the entire soil deposi