846 research outputs found

    Electron Paramagnetic Resonance and Optical Absorption Study of Acceptors in CdSiP\u3csub\u3e2\u3c/sub\u3e Crystals

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    Cadmium silicon diphosphide (CdSiP2) is a nonlinear material often used in optical parametric oscillators (OPOs) to produce tunable laser output in the mid-infrared. Absorption bands associated with donors and acceptors may overlap the pump wavelength and adversely affect the performance of these OPOs. In the present investigation, electron paramagnetic resonance (EPR) is used to identify two unintentionally present acceptors in large CdSiP2 crystals. These are an intrinsic silicon-on-phosphorus antisite and a copper impurity substituting for cadmium. When exposed to 633 µm laser light at temperatures near or below 80 K, they convert to their neutral paramagnetic charge states (Si0P and Cu0Cd) and can be monitored with EPR. The corresponding donor serving as the electron trap is the silicon-on-cadmium antisite (Si2+Cd before illumination and Si+Cd after illumination). Removing the 633 µm light and warming the crystal above 90 K quickly destroys the EPR signals from both acceptors and the associated donor. Broad optical absorption bands peaking near 0.8 and 1.4 μm are also produced at low temperature by the 633 µm light. These absorption bands are associated with the Si0P and Cu0Cd acceptors

    Mesophyll Resistance and Carboxylase Activity

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    QMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion Quantum Monte Carlo

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    We review recent advances in the capabilities of the open source ab initio Quantum Monte Carlo (QMC) package QMCPACK and the workflow tool Nexus used for greater efficiency and reproducibility. The auxiliary field QMC (AFQMC) implementation has been greatly expanded to include k-point symmetries, tensor-hypercontraction, and accelerated graphical processing unit (GPU) support. These scaling and memory reductions greatly increase the number of orbitals that can practically be included in AFQMC calculations, increasing accuracy. Advances in real space methods include techniques for accurate computation of band gaps and for systematically improving the nodal surface of ground state wavefunctions. Results of these calculations can be used to validate application of more approximate electronic structure methods including GW and density functional based techniques. To provide an improved foundation for these calculations we utilize a new set of correlation-consistent effective core potentials (pseudopotentials) that are more accurate than previous sets; these can also be applied in quantum-chemical and other many-body applications, not only QMC. These advances increase the efficiency, accuracy, and range of properties that can be studied in both molecules and materials with QMC and QMCPACK

    Interpatient heterogeneity in expression of CYP3A4 and CYP3A5 in small bowel: Lack of prediction by the erythromycin breath test

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    The CYP3A subfamily of cytochromes P450 metabolize many medications and environmental contaminants. CYP3A4 and, in 25% of patients, CYP3A5 seem to be the major CYP3A genes expressed in adult liver. Hepatic levels of CYP3A4 can be estimated by the erythromycin breath test and vary at least 10-fold among patients. CYP3A4 has also been shown to be present in small bowel where it is responsible for significant "first-pass" metabolism of orally administered substrates. However, it is not known whether there is significant interindividual variability in the intestinal expression of CYP3A4, or whether the liver and intestinal catalytic activities of CYP3A4 correlate within an individual. It is also not known whether CYP3A5 is expressed in the small intestine. To address these questions, we administered the erythromycin breath test to 20 patients and obtained biopsies from their small bowel. There was a 6-fold variation in CYP3A catalytic activity (midazolam hydroxylation), an 11-fold variation in CYP3A4 protein content, and an 8-fold variation in CYP3A4 mRNA content in intestinal biopsies. There was an excellent correlation between intestinal CYP3A4 protein level and catalytic activity (r = 0.86; p = 0.0001); however, neither parameter significantly correlated with hepatic CYP3A4 activity as measured by the erythromycin breath test result (r = 0.27; p = 0.24 and r = 0.33; p = 0.15, respectively). We also found that CYP3A5 protein was readily detectable in biopsies from 14 (70%) of the patients, indicating that CYP3A5 is commonly expressed in human small intestine

    Sonar-induced pressure fields in a post-mortem common dolphin

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    Author Posting. © Acoustical Society of America, 2012. This article is posted here by permission of Acoustical Society of America for personal use, not for redistribution. The definitive version was published in Journal of the Acoustical Society of America 131 (2012): 1595-1604, doi:10.1121/1.3675005.Potential physical effects of sonar transmissions on marine mammals were investigated by measuring pressure fields induced in a 119-kg, 211-cm-long, young adult male common dolphin (Delphinus delphis) cadaver. The specimen was instrumented with tourmaline acoustic pressure gauges used as receiving sensors. Gauge implantation near critical tissues was guided by intraoperative, high-resolution, computerized tomography (CT) scanning. Instrumented structures included the melon, nares, ear, thoracic wall, lungs, epaxial muscle, and lower abdomen. The specimen was suspended from a frame equipped with a standard 50.8-mm-diameter spherical transducer used as the acoustic source and additional receiving sensors to monitor the transmitted and external, scattered field. Following immersion, the transducer transmitted pulsed sinusoidal signals at 5, 7, and 10 kHz. Quantitative internal pressure fields are reported for all cases except those in which the gauge failed or no received signal was detected. A full necropsy was performed immediately after the experiment to examine instrumented areas and all major organs. No lesions attributable to acoustic transmissions were found, consistent with the low source level and source-receiver distances.Work supported by NOPP through ONR Grant No. N000140710992. Work at CSI additionally supported by ONR Grant No. N000140811231
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