1,320 research outputs found
Conduction Mechanism in a Molecular Hydrogen Contact
We present first principles calculations for the conductance of a hydrogen
molecule bridging a pair of Pt electrodes. The transmission function has a wide
plateau with T~1 which extends across the Fermi level and indicates the
existence of a single, robust conductance channel with nearly perfect
transmission. Through a detailed Wannier function analysis we show that the H2
bonding state is not involved in the transport and that the plateau forms due
to strong hybridization between the H2 anti-bonding state and states on the
adjacent Pt atoms. The Wannier functions furthermore allow us to derive a
resonant-level model for the system with all parameters determined from the
fully self-consistent Kohn-Sham Hamiltonian.Comment: 5 pages, 4 figure
Advancing the understanding of adaptive capacity of social‐ecological systems to absorb climate extremes
Partly Occupied Wannier Functions
We introduce a scheme for constructing partly occupied, maximally localized
Wannier functions (WFs) for both molecular and periodic systems. Compared to
the traditional occupied WFs the partly occupied WFs posses improved symmetry
and localization properties achieved through a bonding-antibonding closing
procedure. We demonstrate the equivalence between bonding-antibonding closure
and the minimization of the average spread of the WFs in the case of a benzene
molecule and a linear chain of Pt atoms. The general applicability of the
method is demonstrated through the calculation of WFs for a metallic system
with an impurity: a Pt wire with a hydrogen molecular bridge.Comment: 5 pages, 4 figure
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The potential of immune biomarkers to advance personalized medicine approaches for schizophrenia.
Molecular profiling studies have helped increase the understanding of the immune processes thought to be involved in the etiology and pathophysiology of psychiatric disorders such as schizophrenia. Current therapeutic interventions with first- and second-generation antipsychotics are suboptimal. Poor response rates and debilitating side effects often lead to poor treatment compliance. This highlights the pressing need to identify more effective treatments as well as objective biomarker based tests, which can help predict treatment response and identify diagnostic subpopulations. Such tests could enable early detection of patients who will benefit from particular therapeutic interventions. In this review, we discuss studies relating to dysfunctions of the immune system in patients with schizophrenia and the effects of antipsychotic medication on the molecular components of these systems. Immune system dysfunction may in part be related to genetic risk factors for schizophrenia, but there is substantial evidence that a wide range of environmental factors ranging from exposure to infectious agents such as influenza and Toxoplasma gondii to HPA axis dysfunction play an important role in the etiopathogenesis of schizophrenia. Ongoing research efforts, testing therapeutic efficacy of anti-inflammatory agents used as add-on medications are also discussed. From a therapeutic perspective, these represent the initial steps toward novel treatment approaches and more effective patient care in the field of mental health.The authors gratefully acknowledge support by the Stanley Medical Research Institute.This is the author accepted manuscript. The final version is available from Wolters Kluwer via http://dx.doi.org/10.1097/NMD.0000000000000289
Nachweis, Lokalisation und Modulation der Hyaluronsäure/CD44-Rezeptor-Expression bei Patienten mit endokriner Orbitopathie
Clinical Prostate Cancer
Cryosurgery of the prostate presents as an efficient therapy following failed radiation therapy. We report on a 7-year retrospective analysis evaluating the morbidity and biochemical disease-free survival (bDFS) of this therapy. Between 1993 and 2001, 59 patients who had been previously treated with radiation therapy and had rising serum prostate-specific antigen (PSA) values underwent salvage cryoablation of the prostate for localized, histologically proven, recurrent prostate cancer. Serial serum PSA testing was performed, and biopsies were taken at 6, 12, and 24 months, and again at 5 years, and any time the PSA rose above 0.5 ng/mL. Patients were stratified along clinical parameters. The combined postsalvage bDFS rate using a PSA cutoff of 0.5 ng/mL was 59% and 69% with a 1.0 ng/mL PSA cutoff. Using a PSA threshold of 0.5 ng/mL as evidence of biochemical recurrence, 61%, 62%, and 50% of patients with < 4 ng/mL, 4-10 ng/mL, and > 10 ng/mL PSA, respectively, remain biochemically relapse free at 7 years. A threshold of 1.0 ng/mL yielded a disease-free status of 78%, 74%, and 46%, respectively. Patient biopsies showed no evidence of residual or recurrent disease. Improved survival rates and no known latent complications indicate cryosurgery is a promising form of treatment for radiation-resistant prostate cancer. This 7-year analysis shows a promising validation of cryosurgery as an efficacious treatment modality for locally confined T1-T3 prostate cancer following primary radiation therapy failure. Abstrac
Hrk1 Plays Both Hog1-Dependent and -Independent Roles in Controlling Stress Response and Antifungal Drug Resistance in Cryptococcus neoformans
The HOG (High Osmolarity Glycerol response) pathway plays a central role in controlling stress response, ergosterol biosynthesis, virulence factor production, and differentiation of Cryptococcus neoformans, which causes fatal fungal meningoencephalitis. Recent transcriptome analysis of the HOG pathway discovered a Hog1-regulated gene (CNAG_00130.2), encoding a putative protein kinase orthologous to Rck1/2 in Saccharomyces cerevisiae and Srk1 in Schizosaccharomyces pombe. Its function is not known in C. neoformans. The present study functionally characterized the role of Hrk1 in C. neoformans. Northern blot analysis confirmed that HRK1 expression depends on the Hog1 MAPK. Similar to the hog1Δ mutant, the hrk1Δ mutant exhibited almost complete resistance to fludioxonil, which triggers glycerol biosynthesis via the HOG pathway. Supporting this, the hrk1Δ mutant showed reduced intracellular glycerol accumulation and swollen cell morphology in response to fludioxonil, further suggesting that Hrk1 works downstream of the HOG pathway. However, Hrk1 also appeared to have Hog1-independent functions. Mutation of HRK1 not only further increased osmosensitivity of the hog1Δ mutant, but also suppressed increased azole-resistance of the hog1Δ mutant in an Erg11-independent manner. Furthermore, unlike the hog1Δ mutant, Hrk1 was not involved in capsule biosynthesis. Hrk1 was slightly involved in melanin production but dispensable for virulence of C. neoformans. These findings suggest that Hrk1 plays both Hog1-dependent and –independent roles in stress and antifungal drug susceptibility and virulence factor production in C. neoformans. Particularly, the finding that inhibition of Hrk1 substantially increases azole drug susceptibility provides a novel strategy for combination antifungal therapy
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