Multimode Jahn-Teller effect in bulk systems: A case of the NV0 center in diamond

The multimode Jahn-Teller (JT) effect in a bulk system of a neutral nitrogen-vacancy ( N V 0 ) center in diamond is investigated via first-principles density-functional-theory calculations and the intrinsic distortion path (IDP) method. The adiabatic potential energy surface of the electronic ground state of the N V 0 center is calculated based on the local spin-density approximation. Our calculations confirm the presence of the dynamic Jahn-Teller effect in the ground 2 E state of the N V 0 center. Within the harmonic approximation, the IDP method provides the reactive path of JT distortion from unstable high-symmetry geometry to stable low-symmetry energy minimum geometry, and it describes the active normal modes participating in the distortion. We find that there is more than one vibrational mode contributing to the distortion, and their contributions change along the IDP. Several vibrational modes with large contributions to JT distortion, especially those modes close to 44 meV, are clearly observed as the phonon sideband in photoluminescence spectra in a series of experiments, indicating that the dynamic Jahn-Teller effect plays an important role in the optical transition of the N V 0 center

Fe-Si networks and charge/discharge-induced phase transitions in Li2FeSiO4 cathode materials

Structural phase transitions of electrode materials are responsible for poor reversibility during charge/discharge cycling in Li-ion batteries. Using previously developed structural databases, we investigate a structural landscape for LixFeSiO4systems at x = 1. Starting with low-energy Li2FeSiO4 crystal structures, we explore the crystal structures of the material in different states of charge. The as-prepared Li2FeSiO4 materials adopt low energy structures characterized by two-dimensional (2D) Fe–Si networks. After the removal of one Li per formula unit to form LiFeSiO4, the structures with three-dimensional (3D) diamond-like Fe–Si networks become more energetically favorable without a significant impact on the charge capacity, which agrees with previous experimental and theoretical work. However, we reveal that the structure with a 3D diamond-like Fe–Si network can further transform into a new structure at x = 1. And the Li atom is hard to reinsert into these new structures. Consequently the system is prevented from returning to the Li2FeSiO4 state. We believe that the formation of this new structure plays an important role in the loss of reversible capacity of Li2FeSiO4 electrode materials

Clinical application of a fully automated blood collection robot and its assessment of blood collection quality of anticoagulant specimens

Background and objectivesTo investigate the application of intelligent puncture blood collection robots in anticoagulated blood specimens, the satisfaction of subjects with the two blood collection methods, and the feasibility of intelligent blood collection devices to replace manual blood collection methods in clinical work.Materials and methodsA total of 154 volunteers from Zhongshan Hospital Fudan University were recruited to compare the test results of anticoagulant blood samples between blood collection robot and manual blood collection, a questionnaire was used to inquire about the volunteers’ feelings about the two blood collection methods; the blood collection data of 6,255 patients willing to use the robot for blood collection were collected to analyze the success rate of blood collection.ResultsThe blood collection robot is superior to manual specimen collection in terms of volume and pain of specimen collection, and the puncture success rate is 94.3%. The anticoagulated blood specimens collected by the robot had 11 indexes statistically different from the results of manual blood collection, but the differences did not affect the clinical diagnosis and prognosis.ConclusionThe intelligent robotic blood collection is less painful and has better acceptance by patients, which can be used for clinical anticoagulated blood specimen collection

Occurrence of False Positive Results for the Detection of Carbapenemases in Carbapenemase-Negative Escherichia coli and Klebsiella pneumoniae Isolates

Adequate detection of the production of carbapenemase in Enterobacteriaceae isolates is crucial for infection control measures and the appropriate choice of antimicrobial therapy. In this study, we investigated the frequency of false positive results for the detection of carbapenemases in carbapenemase-negative Escherichia coli and Klebsiella pneumoniae clinical isolates by the modified Hodge test (MHT). Three hundred and one E. coli and K. pneumoniae clinical isolates were investigated. All produced extended spectrum β-lactamases (ESBLs) but were susceptible to carbapenems. Antimicrobial susceptibility testing was performed by the disk diffusion and agar dilution methods. The MHT was performed using the standard inoculum of test organisms recommended by the CLSI. Genes that encoded ESBLs and carbapenemases were identified by PCR and DNA sequencing. Among the 301 clinical isolates, none of the isolates conformed to the criteria for carbapenemase screening recommended by the CLSI. The susceptibility rates for imipenem, meropenem, and ertapenem all were 100.0%, 100.0%, and 100.0%, respectively. Of the 301 E. coli and K. pneumoniae isolates, none produced carbapenemase. The MHT gave a positive result for 3.3% (10/301) of the isolates. False positive results can occur when the MHT is used to detect carbapenemase in ESBL-producing isolates and clinical laboratories must be aware of this fact

Irradiation-induced telomerase activity and gastric cancer risk: a case-control analysis in a Chinese Han population

<p>Abstract</p> <p>Background</p> <p>Telomerase expression is one of the characteristics of gastric cancer (GC) cells and telomerase activity is frequently up-regulated by a variety of mechanisms during GC development. Therefore, we hypothesized that elevated levels of activated telomerase might enhance GC risk due to increased propagation of cells with DNA damage, such as induced by γ-radiation.</p> <p>Methods</p> <p>To explore this hypothesis, 246 GC cases and 246 matched controls were recruited in our case-control study. TRAP-ELISA was used to assess the levels of telomerase activity at baseline and after γ-radiation and the γ-radiation-induced telomerase activity (defined as after γ-irradiation/baseline) in cultured peripheral blood lymphocytes (PBLs).</p> <p>Results</p> <p>Our data showed that there was no significant difference for the baseline telomerase activity between GC cases and controls (10.17 ± 7.21 <it>vs. </it>11.02 ± 8.03, <it>p </it>= 0.168). However, after γ-radiation treatment, γ-radiation-induced telomerase activity was significantly higher in the cases than in the controls (1.51 ± 0.93 <it>vs</it>. 1.22 ± 0.66, <it>p </it>< 0.001). Using the median value of γ-radiation-induced telomerase activity in the controls as a cutoff point, we observed that high γ-radiation-induced telomerase activity was associated with a significantly increased GC risk (adjusted odds ratio, 2.45; 95% confidence interval, 1.83-3.18). Moreover, a dose response association was noted between γ-radiation-induced telomerase activity and GC risk. Age, but not sex, smoking and drinking status seem to have a modulating effect on the γ-radiation-induced telomerase activities in both cases and controls.</p> <p>Conclusion</p> <p>Overall, our findings for the first time suggest that the increased γ-radiation-induced telomerase activity in PBLs might be associated with elevated GC risk. Further confirmation of this association using a prospective study design is warranted.</p

Ab initio study of electronic structure of strained Si

The ab initio pseudopotential method within the local density functional theory and virtual-crystal approximation is used to study the band gap of the Si$_{1-x-y}$GexCy (y $\leq$ 0.09) alloys on a Ge(001) substrate. The heterojunction discontinuities are also investigated in the framework of the average bond energy theory in conjunction with the deformation potential method. The calculated results show that the energy gap still remains indirect and only a small amount of C could cause the energy gap to be shrunk significantly. The top of the valence bands of the strained Si$_{1-x-y}$GexCy alloys on Ge(001) is significantly lifted and even could be greatly higher than that of Ge by the addition of small amounts of carbon. The trends of our results are consistent with other theoretical data

Pipelining Parallel Image Compositing and Delivery for Efficient Remote Visualization

Scientific datasets of large volumes generated by next-generation computational sciences need to be transferred and processed for remote visualization and distributed collaboration among a geographically dispersed team of scientists. Parallel visualization using high-performance computing facilities is a typical approach to processing such increasingly large datasets. We propose an optimized image compositing scheme with linear pipeline and adaptive transport to support efficient image delivery to a remote client. The proposed scheme arranges an arbitrary number of parallel processors within a cluster in a linear order and divides the image into a carefully selected number of segments, which flow through the linear in-cluster pipeline and wide-area networks to the remote client consecutively. We analytically determine the segment size that minimizes the final image display time and derive the conditions where the proposed image compositing and delivery scheme outperforms the traditional schemes including the binary swap algorithm. In order to match the transport throughput for image delivery over wide-area networks to the pipelining rate for image compositing within the cluster, we design a class of transport protocols using stochastic approximation methods that are able to stabilize the data flow at a target rate. The experimental results from remote visualization of large-scale scientific datasets justify the correctness of our theoretical analysis and illustrate the superior performances of the proposed method

Optimized Parallel Image Compositing and Remote Delivery with Linear Pipelining and Adaptive Transport

Scientific datasets of large volumes generated by next-generation computational sciences need to be transferred and processed for remote visualization and distributed collaboration among a geographically dispersed team of scientists. Parallel visualization using high-performance computing facilities is a typical approach to processing such increasingly large datasets. We propose an optimized image compositing scheme with linear pipeline and adaptive transport to support efficient image delivery to a remote client. The proposed scheme arranges an arbitrary number of parallel processors within a cluster in a linear order and divides the image into a carefully selected number of segments, which flow through the linear in-cluster pipeline and wide-area networks to the remote client consecutively. We analytically determine the segment size that minimizes the final image display time and derive the conditions where the proposed image compositing and delivery scheme outperforms the traditional schemes including the binary swap algorithm. In order to match the transport throughput for image delivery over wide-area networks to the pipelining rate for image compositing within the cluster, we design a class of transport protocols using stochastic approximation methods that are able to stabilize the data flow at a target rate. The experimental results from remote visualization of large-scale scientific datasets justify the correctness of our theoretical analysis and illustrate the superior performances of the proposed method