Evaluation of a new trauma-related drinking to cope measure: Latent structure and heritability

Posttraumatic stress disorder (PTSD) and alcohol use disorder (AUD) commonly co-occur, share latent genetic risk, and are associated with many negative public health outcomes. Via a self-medication framework, trauma-related drinking to cope (TRD), an unexplored phenotype to date, may help explain why these two disorders co-occur, thus serving as an essential target for treatment and prevention efforts. This study sought to create a novel measure of TRD and to investigate its indirect influences on the association between PTSD and AUD, as well as its potential shared molecular genetic risk with PTSD in a genetically-informative study of college students. A sample of 1,896 undergraduate students with a history of trauma and alcohol use provided genotypic data and completed an online assessment battery. The psychometric properties of TRD and how it relates to relevant constructs were examined using descriptive statistics and structural equation modeling. Results of a correlated multiple mediator model indicated that, while accounting for the effects of generalized drinking motives, TRD partially mediated the relation between PTSD and alcohol use problems (β = 0.213, p \u3c .001), consistent with the self-medication hypothesis, and that this relationship was stronger for males (β = 0.804, p \u3c .001) than for females (β = 0.463, p \u3c .001). Results were substantiated using longitudinal data. Genotypic analyses to be presented will include univariate genome wide complex trait analyses (GCTA) to establish SNP-based heritability associated with TRD and PTSD, separately, as well as bivariate GCTA to examine potential overlap in heritability between TRD and PTSD.https://scholarscompass.vcu.edu/gradposters/1047/thumbnail.jp

One pot ‘click’ reactions: tandem enantioselective biocatalytic epoxide ring opening and [3+2] azide alkyne cycloaddition

Halohydrin dehalogenase (HheC) can perform enantioselective azidolysis of aromatic epoxides to 1,2-azido alcohols which are subsequently ligated to alkynes producing chiral hydroxy triazoles in a one-pot procedure with excellent enantiomeric excess.

Kinetic Characterization and X-ray Structure of a Mutant of Haloalkane Dehalogenase with Higher Catalytic Activity and Modified Substrate Range

Conversion of halogenated aliphatics by haloalkane dehalogenase proceeds via the formation of a covalent alkyl-enzyme intermediate which is subsequently hydrolyzed by water. In the wild type enzyme, the slowest step for both 1,2-dichloroethane and 1,2-dibromoethane conversion is a unimolecular enzyme isomerization preceding rapid halide dissociation. Phenylalanine 172 is located in a helix-loop-helix structure that covers the active site cavity of the enzyme, interacts with the Clβ of 1,2-dichloroethane during catalysis, and could be involved in stabilization of this helix-loop-helix region of the cap domain of the enzyme. To obtain more information about the role of this residue in dehalogenase function, we performed a mutational analysis of position 172 and studied the kinetics and X-ray structure of the Phe172Trp enzyme. The Phe172Trp mutant had a 10-fold higher kcat/Km for 1-chlorohexane and a 2-fold higher kcat for 1,2-dibromoethane than the wild-type enzyme. The X-ray structure of the Phe172Trp enzyme showed a local conformational change in the helix-loop-helix region that covers the active site. This could explain the elevated activity for 1-chlorohexane of the Phe172Trp enzyme, since it allows this large substrate to bind more easily in the active site cavity. Pre-steady-state kinetic analysis showed that the increase in kcat found for 1,2-dibromoethane conversion could be attributed to an increase in the rate of an enzyme isomerization step that preceeds halide release. The observed conformational difference between the helix-loop-helix structures of the wild-type enzyme and the faster mutant suggests that the isomerization required for halide release could be a conformational change that takes place in this region of the cap domain of the dehalogenase. It is proposed that Phe172 is involved in stabilization of the helix-loop-helix structure that covers the active site of the enzyme and creates a rigid hydrophobic cavity for small apolar halogenated alkanes.

Changes in the tear proteins of diabetic patients

BACKGROUND: Previous studies have shown a significant increase in tear protein peaks in the tears of diabetic patients suffering from dry eye. The aim of this study was to analyze the tear protein patterns from patients with diabetes mellitus who do not suffer from ocular surface diseases (DIA). METHODS: A total of 515 patients were examined in this study (255 healthy subjects (controls) and 260 patients suffering from diabetes mellitus). Tear proteins were separated by sodium-dodecyl-sulfate polyacrylamide gel electrophoresis. After digital image analysis densitometric data files were created and subsequently used for multivariate statistical procedures. RESULTS: A significant increase in the number of peaks was detected in diabetic patients compared to controls (P < 0.0003). The analysis of discriminance revealed a highly significant discrimination between diabetic patients and controls (Wilks lambda: 0.27; P < 0.000001). Furthermore, a significant difference in the protein pattern of diabetic patients could be detected between those suffering from dry eye or not (P < 0.002). The changes in protein patterns of diabetic patients increased with the duration of the diabetic disease. In diabetic patients with a disease duration longer than 10 years the changes were significantly more expressed than in patients with a shorter diabetic history (P < 0.003) and in healthy subjects (P < 0.0001). CONCLUSIONS: The tear protein patterns of diabetic patients are very different in the number and intensity of spots from those of healthy subjects. Furthermore, it could be demonstrated that the differences found in the tear patterns of diabetic patients are not equal to those found in previous studies in patients suffering from dry-eye disease. The alterations in the diabetic tears were correlated with the duration of the diabetic disease. With longer disease, history changes in the tear protein patterns increased. With the course of the disease some protein peaks appeared that are not present in healthy persons. Our study shows that the analysis of electrophoretic tear protein patterns is a new non-invasive approach in the early diagnosis and analysis of the pathogenesis of diabetes induced ocular surface disease

Interrogation of caesium atoms in a fountain clock by a femtosecond laser microwave oscillator

A caesium fountain clock is operated utilizing a microwave oscillator that derives its frequency stability from a stable laser by means of a fiber-laser femtosecond frequency comb. This oscillator is based on the technology developed for optical clocks and replaces the quartz based microwave oscillator commonly used in fountain clocks. As a result, a significant decrease of the frequency instability of the fountain clock is obtained, reaching 0.74E-14 at 100 s averaging time. We could demonstrate that for a significant range of detected atom numbers the instability is limited by quantum projection noise only, and that for the current status of this fountain clock the new microwave source poses no limit on the achievable frequency instability.Comment: 4 pages, 4 figure

Effects of rhamnolipid biosurfactants on removal of phenanthrene from soil

Solubilizing agents may enhance remediation of-soils contaminated with hydrophobic organic contaminants by diminishing sorption of the contaminants or increasing desorption rates. The effectiveness of rhamnolipid biosurfactants to enhance the removal of sorbed contaminants from soil was determined using column studies. Soil columns were contaminated with phenanthrene and subsequently eluted with electrolyte solution or with electrolyte solution containing 500 mg/L rhamnolipid. For the four soils studied, removal of 50% of the phenanthrene from the soil columns was accomplished in a 2-5-fold shorter time period, and the time required for 90% removal was reduced up to 3.5-fold when elution was performed with the rhamnolipid-containing solution as compared to the treatment without rhamnolipid. The effect of rhamnolipid on the removal of phenanthrene was satisfactorily simulated using independently obtained parameters with a two-component advective-dispersive model accounting for micellar solubilization and admicellar sorption. A more detailed analysis of the system showed that desorption rates of phenanthrene in the presence of 500 mg/L rhamnolipid were higher than predicted on the basis of desorption rate constants of phenanthrene determined in the absence of rhamnolipid. It is concluded that rhamnolipid enhanced the removal of phenanthrene mainly by micellar solubilization and also by influencing sorption kinetics

Optical excitations in hexagonal nanonetwork materials

Optical excitations in hexagonal nanonetwork materials, for example, Boron-Nitride (BN) sheets and nanotubes, are investigated theoretically. The bonding of BN systems is positively polarized at the B site, and is negatively polarized at the N site. There is a permanent electric dipole moment along the BN bond, whose direction is from the B site to the N site. When the exciton hopping integral is restricted to the nearest neighbors, the flat band of the exciton appears at the lowest energy. The higher optical excitations have excitation bands similar to the electronic bands of graphene planes and carbon nanotubes. The symmetry of the flat exciton band is optically forbidden, indicating that the excitons related to this band will show quite long lifetime which will cause strong luminescence properties.Comment: 4 pages; 3 figures; proceedings of "XVIth International Winterschool on Electronic Properties of Novel Materials (IWEPNM2002)

Resonances in rotationally inelastic scattering of OH(X2ΠX^2\Pi) with helium and neon

We present detailed calculations on resonances in rotationally and spin-orbit inelastic scattering of OH (X\,^2\Pi, j=3/2, F_1, f) radicals with He and Ne atoms. We calculate new \emph{ab initio} potential energy surfaces for OH-He, and the cross sections derived from these surfaces compare favorably with the recent crossed beam scattering experiment of Kirste \emph{et al.} [Phys. Rev. A \textbf{82}, 042717 (2010)]. We identify both shape and Feshbach resonances in the integral and differential state-to-state scattering cross sections, and we discuss the prospects for experimentally observing scattering resonances using Stark decelerated beams of OH radicals.Comment: 14 pages, 15 Figure