Influence of O2 and N2 on the conductivity of carbon nanotube networks

We have performed experiments on single-wall carbon nanotube (SWNT) networks and compared with density-functional theory (DFT) calculations to identify the microscopic origin of the observed sensitivity of the network conductivity to physisorbed O2 and N2. Previous DFT calculations of the transmission function for isolated pristine SWNTs have found physisorbed molecules have little influence on their conductivity. However, by calculating the four-terminal transmission function of crossed SWNT junctions, we show that physisorbed O2 and N2 do affect the junction's conductance. This may be understood as an increase in tunneling probability due to hopping via molecular orbitals. We find the effect is substantially larger for O2 than for N2, and for semiconducting rather than metallic SWNTs junctions, in agreement with experiment.Comment: 6 pages, 5 figures, 1 tabl

Computational Design of Chemical Nanosensors: Metal Doped Carbon Nanotubes

We use computational screening to systematically investigate the use of transition metal doped carbon nanotubes for chemical gas sensing. For a set of relevant target molecules (CO, NH3, H2S) and the main components of air (N2, O2, H2O), we calculate the binding energy and change in conductance upon adsorption on a metal atom occupying a vacancy of a (6,6) carbon nanotube. Based on these descriptors, we identify the most promising dopant candidates for detection of a given target molecule. From the fractional coverage of the metal sites in thermal equilibrium with air, we estimate the change in the nanotube resistance per doping site as a function of the target molecule concentration assuming charge transport in the diffusive regime. Our analysis points to Ni-doped nanotubes as candidates for CO sensors working under typical atmospheric conditions

Understanding Charge Transfer in Donor-Acceptor/Metal Systems: A Combined Theoretical and Experimental Study

We develop an effective potential approach for assessing the flow of charge within a two-dimensional donor-acceptor/metal network based on core-level shifts. To do so, we perform both density functional theory (DFT) calculations and x-ray photoemission spectroscopy (XPS) measurements of the core-level shifts for three different monolayers adsorbed on a Ag substrate. Specifically, we consider perfluorinated pentacene (PFP), copper phthalocyanine (CuPc) and their 1:1 mixture (PFP+CuPc) adsorbed on Ag(111).Comment: 12 pages, 10 figure

Energy levels and magneto-optical transitions in parabolic quantum dots with spin-orbit coupling

We report on the electronic properties of few interacting electrons confined in a parabolic quantum dot based on a theoretical approach developed to investigate the influence of Bychkov-Rashba spin-orbit (SO) interaction on such a system. We note that the spin-orbit coupling profoundly influences the energy spectrum of interacting electrons in a quantum dot. Here we present accurate results for the energy levels and optical-absorption spectra for parabolic quantum dots containing upto four interacting electrons, in the presence of spin-orbit coupling and under the influence of an externally applied, perpendicular magnetic field. We have described in detail about a very accurate numerical scheme to evaluate these quantities. We have evaluated the effects of SO coupling on the Fock-Darwin spectra for quantum dots made out of three different semiconductor systems, InAs, InSb, and GaAs.Comment: expanded version of cond-mat/0501642 to be published in Phys. Rev. Let

Perioperative safety of two-team simultaneous bilateral total knee arthroplasty in the obese patient

<p>Abstract</p> <p>Background</p> <p>Although the rates of perioperative morbidity and mortality with simultaneous bilateral total knee arthroplasty remain a concern, multiple studies have shown the procedure to be safe in selected patient populations. Evidence also remains mixed regarding the outcomes of total knee arthroplasty in obese patients. The purpose of this paper is to compare the rates of perioperative morbidity and mortality in consecutive obese patients undergoing two-team simultaneous bilateral total knee arthroplasty and unilateral total knee arthroplasty.</p> <p>Methods</p> <p>The records on all two-team simultaneous total knee arthroplasties and unilateral total knee arthroplasties from October 1997 to December 2007 were reviewed. A total of 151 patients with a body mass index (BMI) >30 undergoing two-team simultaneous total knee arthroplasty and 148 patients with a BMI >30 undergoing unilateral total knee arthroplasty were retrospectively reviewed and analyzed to determine perioperative morbidity and mortality as well as one-year mortality rates.</p> <p>Results</p> <p>Preoperative patient characteristics did not show any significant differences between groups. The simultaneous bilateral group had significantly longer operative times (127.4 versus 112.7 minutes, p < 0.01), estimated blood loss (176.7 versus 111.6 mL, p = 0.01), percentage of patients requiring blood transfusion (64.9% versus 13.9%, p < 0.01), length of hospital stay (3.72 versus 3.30 days, p < 0.01), and percentage of patients requiring extended care facility usage at discharge (63.6% versus 27.8%, p < 0.01). No significant difference between unilateral and bilateral groups was seen in regards to total complication rate, major or minor complication subgroup rate, or any particular complication noted. Doubling the variables in the unilateral group for a staged total knee arthroplasty scenario did create significant increases over the simultaneous data in almost every data category.</p> <p>Conclusions</p> <p>Two-team simultaneous total knee arthroplasty appears to be safe in obese patients, with similar complication rates as compared to unilateral procedures. Two-team simultaneous total knee arthroplasty also appears to have potential benefits over a staged procedure in the obese patient, although more study is required regarding this topic.</p

The Importance of Context in Understanding Homelessness and Mental Illness: Lessons Learned From a Research Demonstration Project

Research reports on the housing outcomes for persons who are homeless and mentally ill have focused on client characteristics, program type, and services as independent variables, with mixed results. From social work practice, evaluation theory, and public policy perspectives, context is an important variable. Yet, it has received scant research attention in studies of the outcomes of persons who are mentally ill and homeless. This article summarizes research results from a demonstration project providing outreach or linkage services to this target population, illustrating the significant impact of context variables (site and recruitment source) on client characteristics, implementation, qualitative and quantitative service assessments, and housing outcomes. The discussion suggests how these contextual factors may operate, and it goes on to make recommendations to improve social work research and practice concerning the important dimensions of context that should be assessed.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/69136/2/10.1177_104973159800800203.pd

An active registry for bioinformatics web services

Summary: The EMBRACE Registry is a web portal that collects and monitors web services according to test scripts provided by the their administrators. Users are able to search for, rank and annotate services, enabling them to select the most appropriate working service for inclusion in their bioinformatics analysis tasks