GABRA2 and frequency of alcohol consumption in a college population

Spit for Science: the VCU Student Survey aims to understand how genes and the environment come together to influence substance use and emotional health. Many studies have investigated the potential relationship between genetic variants in the GABRA2 gene and an individual’s subjective level of response to alcohol. Evidence suggests that individuals with specific GABRA2 variants have a lower subjective level of response to alcohol thus causing them to drink more, which in turn increases their risk for becoming alcohol dependent. The goal of the current study was to investigate the association between specific GABRA2 variants and alcohol use frequency in a sample of college students. VCU freshman in the 2011 fall semester were given the opportunity to complete the Spit for Science survey and provide a DNA sample. Linear regression was used to test the relationship between alcohol use frequency and GABRA2 variation. We also investigated the possible moderating effect of peer deviance on this relationship. The proposed questions addressed in this study are highly important because they may provide us with information on how to potentially help young adults from developing alcohol dependence.https://scholarscompass.vcu.edu/uresposters/1088/thumbnail.jp

Epitopes in ChEBI - A Collaboration with the IEDB

*ChEBI background:* Chemical Entities of Biological Interest (ChEBI) is a curated database of small chemical entities important in biosystems. As well as a description of entities, it provides a semantically rich knowledge base; and an internal hierarchy that organises the entities by their molecular structure types and potential rôles.

*The ChEBI-IEDB collaboration:* The Immune Epitope and Analysis Resource (IEDB) is a project supported by contract from the National Institute of Allergy and Infectious Diseases (NIAID). Its goal is to make epitope-related data on infectious diseases and immune disorders freely available to researchers worldwide. In June 2009, ChEBI began working with the IEDB on a project aimed at incorporating into ChEBI, by manual curation, a pilot subset of immunologically important chemicals identified as immune epitopes.

*The significance of the project:* Numerous reports attest to an increasing global prevalence of immune-related diseases, with a multiplicity of contributing factors. This situation underscores the need for cross-talk among the various scientific disciplines, and makes ChEBI involvement in this project particularly relevant. 

*Collaboration outcome:* That collaboration among curators working on different databases can be reciprocally beneficial has been amply demonstrated by the ChEBI-IEDB teamwork described: while the incorporated IEDB items have substantially enriched ChEBI, the latter’s multiplicity of synonyms, structure tree lay-out and expertise in describing non-peptidic epitopes have been equally useful to the IEDB in facilitating the search process.
*Status quo and plans:* We continue to refine our task of assisting the identification, understanding and utilisation of biologically meaningful chemical entities by engaging in further joint projects

LUNAR HEAT FLOW EXPERIMENT LONG TERM TEMPERATURE OBSERVATIONS ON THE LUNAR SURFACE AT APOLLO SITES 15 AND 17 by

Reproduction in whole or in part is permitted for any purpose of the United States Government. Others must secure the author's permis sian for use of this material. Distribution of this document is unlimited. ii TABLE OF CONTENTS Abstract...................................................... ii

Generating Potent C–H PCET Donors: Ligand-Induced Fe-to-Ring Proton Migration from a Cp*Fe^(III)–H Complex Demonstrates a Promising Strategy

Highly reactive organometallic species that mediate reductive proton-coupled electron transfer (PCET) reactions are an exciting area for development in catalysis, where a key objective focuses on tuning the reactivity of such species. This work pursues ligand-induced activation of a stable organometallic complex toward PCET reactivity. This is studied via the conversion of a prototypical Cp*Fe^(III)–H species, [Fe^(III)(η⁵-Cp*)(dppe)H]⁺ (Cp* = C₅Me₅⁻, dppe = 1,2-bis(diphenylphosphino)ethane), to a highly reactive, S = 1/2 ring-protonated endo-Cp*H–Fe relative, triggered by the addition of CO. Our assignment of the latter ring-protonated species contrasts with its previous reported formulation, which instead assigned it as a hypervalent 19-electron hydride, [Fe^(III)(η⁵-Cp*)(dppe)(CO)H]⁺. Herein, pulse EPR spectroscopy (^(1,2)H HYSCORE, ENDOR) and X-ray crystallography, with corresponding DFT studies, cement its assignment as the ring-protonated isomer, [Fe^I(endo-η⁴-Cp*H)(dppe)(CO)] ⁺. A less sterically shielded and hence more reactive exo-isomer can be generated through oxidation of a stable Fe0(exo-η⁴-Cp*H)(dppe)(CO) precursor. Both endo- and exo-ring-protonated isomers are calculated to have an exceptionally low bond dissociation free energy (BDFE_(C–H) ≈ 29 kcal mol⁻¹ and 25 kcal mol⁻¹, respectively) cf. BDFE_(Fe–H) of 56 kcal mol⁻¹ for [Fe^(III)(η⁵-Cp*)(dppe)H] ⁺. These weak C–H bonds are shown to undergo proton-coupled electron transfer (PCET) to azobenzene to generate diphenylhydrazine and the corresponding closed-shell [Fe^(II)(η⁵-Cp*)(dppe)CO]⁺ byproduct

Generating Potent C–H PCET Donors: Ligand-Induced Fe-to-Ring Proton Migration from a Cp*Fe^(III)–H Complex Demonstrates a Promising Strategy

Highly reactive organometallic species that mediate reductive proton-coupled electron transfer (PCET) reactions are an exciting area for development in catalysis, where a key objective focuses on tuning the reactivity of such species. This work pursues ligand-induced activation of a stable organometallic complex toward PCET reactivity. This is studied via the conversion of a prototypical Cp*Fe^(III)–H species, [Fe^(III)(η⁵-Cp*)(dppe)H]⁺ (Cp* = C₅Me₅⁻, dppe = 1,2-bis(diphenylphosphino)ethane), to a highly reactive, S = 1/2 ring-protonated endo-Cp*H–Fe relative, triggered by the addition of CO. Our assignment of the latter ring-protonated species contrasts with its previous reported formulation, which instead assigned it as a hypervalent 19-electron hydride, [Fe^(III)(η⁵-Cp*)(dppe)(CO)H]⁺. Herein, pulse EPR spectroscopy (^(1,2)H HYSCORE, ENDOR) and X-ray crystallography, with corresponding DFT studies, cement its assignment as the ring-protonated isomer, [Fe^I(endo-η⁴-Cp*H)(dppe)(CO)] ⁺. A less sterically shielded and hence more reactive exo-isomer can be generated through oxidation of a stable Fe0(exo-η⁴-Cp*H)(dppe)(CO) precursor. Both endo- and exo-ring-protonated isomers are calculated to have an exceptionally low bond dissociation free energy (BDFE_(C–H) ≈ 29 kcal mol⁻¹ and 25 kcal mol⁻¹, respectively) cf. BDFE_(Fe–H) of 56 kcal mol⁻¹ for [Fe^(III)(η⁵-Cp*)(dppe)H] ⁺. These weak C–H bonds are shown to undergo proton-coupled electron transfer (PCET) to azobenzene to generate diphenylhydrazine and the corresponding closed-shell [Fe^(II)(η⁵-Cp*)(dppe)CO]⁺ byproduct

Snapshots of a Migrating H-Atom: Characterization of a Reactive Iron(III) Indenide Hydride and its Nearly Isoenergetic Ring-Protonated Iron(I) Isomer

We report the characterization of an S=1/2 iron π‐complex, [Fe(η⁶‐IndH)(depe)]⁺ (Ind=Indenide (C₉H₇⁻), depe=1,2‐bis(diethylphosphino)ethane), which results via C−H elimination from a transient Fe^(III) hydride, [Fe(η³:η²‐Ind)(depe)H]⁺. Owing to weak M−H/C−H bonds, these species appear to undergo proton‐coupled electron transfer (PCET) to release H₂ through bimolecular recombination. Mechanistic information, gained from stoichiometric as well as computational studies, reveal the open‐shell π‐arene complex to have a BDFE_(C‐H) value of ≈50 kcal mol⁻¹, roughly equal to the BDFE_(Fe‐H) of its Fe^(III)−H precursor (ΔG°≈0 between them). Markedly, this reactivity differs from related Fe(η⁵‐Cp/Cp*) compounds, for which terminal Fe^(III)−H cations are isolable and have been structurally characterized, highlighting the effect of a benzannulated ring (indene). Overall, this study provides a structural, thermochemical, and mechanistic foundation for the characterization of indenide/indene PCET precursors and outlines a valuable approach for the differentiation of a ring‐ versus a metal‐bound H‐atom by way of continuous‐wave (CW) and pulse EPR (HYSCORE) spectroscopic measurements

Circumcision weeks : making circumcision part of routine training and service delivery at district-level hospitals in South Africa

BACKGROUND : Medically safe, elective male circumcision supports traditional and cultural rites of passage by reducing the risk of adverse events and death among men undergoing initiation. It is a way of preventing penile conditions that arise from being uncircumcised. It also protects against various sexually transmitted infections, playing a particularly important role in human immunodeficiency virus (HIV) prevention, as it protects against HIV infection in men by up to 60%. It also helps reduce herpes simplex virus type 2, a key biological co-factor thought to account for some human susceptibility to HIV infection and human papillomavirus. To address these needs and to meet the World Health Organization’s call to upscale male circumcision to 80% in HIV/AIDS epidemic-gripped sub-Saharan Africa, there is a need to provide male circumcision as standard care in district health. METHOD : A retrospective review of three years of circumcision services, using the sleeve method, and not the high-volume, forceps-guided method, and training at a Level 1 district hospital in South Africa. RESULTS : Two hundred and twenty-one medical circumcisions were performed, increasing significantly in each successive year. Mostly, they were carried out under local anaesthetic, and there were only four complications, all of which were successfully resolved. The average age of the patients was 20, and generally, they elected to have medical circumcision carried out for cultural reasons. Some 60 students and clinicians were trained in safe medical male circumcision. CONCLUSION : To meet the growing demand for male medical circumcision, especially among teenagers and young adult men at district-level hospitals, there is a need to significantly expand the surgical competency of clinicians in this field. “Circumcision weeks” are one way of routinely upscaling surgical skill levels, while simultaneously responding to increased patient demand for safe medical circumcision.http://www.safpj.co.z

Weekly Fluctuations in Nonjudging Predict Borderline Personality Disorder Feature Expression in Women

Borderline personality disorder (BPD) features have been linked to deficits in mindfulness, or nonjudgmental attention to present-moment stimuli. However, no previous work has examined the role of fluctuations in mindfulness over time in predicting BPD features. The present study examines the impact of both between-person differences and within-person changes in mindfulness

Expanding the allyl analogy: accessing η^3-P,B,P diphosphinoborane complexes of group 10

Using the diphosphinoborane, (PPh_2)_2BMes (Mes = 2,4,6-Me_3C_6H_3), we report the first examples of η^3-P,B,P-ligated complexes using Ni(0) and Pt(II). Reaction of (PPh_2)_2BMes with Ni(COD)_2 or Pt(COD)Me_2 (COD = 1,5-cyclooctadiene) results in gradual COD displacement to give [η^3-P,B,P-(PPh_2)_2BMes]Ni(COD) (3) or [η^3-P,B,P-(PPh_2)_2BMes]Pt(CH_3)_2 (6). Complex 3 serves as a versatile Ni-containing synthon for the preparation of square planar or tetrahedral Ni(0) complexes. Notably, the M–B interaction in these systems is non-negligible – with coordination resulting in an upfield shift of ca. 80 ppm in the ^(11)B NMR spectrum. We also show that treatment of the Pt^(IV) halide precursor, [PtMe_3I]_4 with this ligand framework results in migration of X-type ligands (CH_3− and I−) to boron and reductive elimination of ethane (C_2H_6) to give a distorted square planar zwitterionic Pt^(II) complex, Pt[κ^2-P,P-(PPh_2)_2B(Mes)(CH_3)][κ^2-P,P-(PPh_2)_2B(Mes)(I)] (10). This reactivity suggests the feasibility of (PPh_2)_2BMes-ligand-induced labilization of M–X ligands