The Effect of Distance and Angle on Electronic Couplings Between F8BT-based Oligomers

Organic semiconductors are often used as light-absorbers in photovoltaic devices and studying the energy flow through these materials is an important field of research. The energy flow is controlled by electronic coupling between the organic semiconductor molecules, which is affected by the distance between the molecules and their relative orientation. Here we calculated the couplings as a function of distance and relative orientation based on semi-empirical calculations of the low-lying excited states of pairs of organic semiconductor molecules. We showed that as distance increased, electronic couplings approach zero. Electronic couplings calculated as a function of rotation were maximized as the rotation brought the molecules to their minimum separation, while electronic couplings were minimized as the molecules approached their maximum separation

Extrapolating the Excitation Energy of Polythiophene from Thiophene Oligomers

Organic semiconductors are used solar cells and as energy transferring materials. They can be separated into oligomers and polymers. In current computational studies oligomers are used to extrapolate the behavior of polymers. To do so many oligomers are created to extrapolate trends based on oligomer size. In this study a computer program was created to enable the quick and efficient production of oligomers ranging from 1 to 166 monomer units in length. The code was used to create thiophene oligomers. Through applying a linear fit, W. Khun fit and a polynomial fit excitation energy was predicted to be 2.001±0.002 eV, 2.04±0.06 eV, and 2.012±0.001 respectively. The study shows that the computer program was able to create accurate models of thiophene oligomers

Classical Monopoles: Newton, NUT-space, gravomagnetic lensing and atomic spectra

Stimulated by a scholium in Newton's Principia we find some beautiful results in classical mechanics which can be interpreted in terms of the orbits in the field of a mass endowed with a gravomagnetic monopole. All the orbits lie on cones! When the cones are slit open and flattened the orbits are exactly the ellipses and hyperbolae that one would have obtained without the gravomagnetic monopole. The beauty and simplicity of these results has led us to explore the similar problems in Atomic Physics when the nuclei have an added Dirac magnetic monopole. These problems have been explored by others and we sketch the derivations and give details of the predicted spectrum of monopolar hydrogen. Finally we return to gravomagnetic monopoles in general relativity. We explain why NUT space has a non-spherical metric although NUT space itself is the spherical space-time of a mass with a gravomagnetic monopole. We demonstrate that all geodesics in NUT space lie on cones and use this result to study the gravitational lensing by bodies with gravomagnetic monopoles. We remark that just as electromagnetism would have to be extended beyond Maxwell's equations to allow for magnetic monopoles and their currents so general relativity would have to be extended to allow torsion for general distributions of gravomagnetic monopoles and their currents. Of course if monopoles were never discovered then it would be a triumph for both Maxwellian Electromagnetism and General Relativity as they stand!Comment: 39 pages, 9 figures and 2 tables available on request from the author

Understanding Work Practices of Autonomous Agile Teams: A Social-psychological Review

The purpose of this paper is to suggest additional aspects of social psychology that could help when making sense of autonomous agile teams. To make use of well-tested theories in social psychology and instead see how they replicated and differ in the autonomous agile team context would avoid reinventing the wheel. This was done, as an initial step, through looking at some very common agile practices and relate them to existing findings in social-psychological research. The two theories found that I argue could be more applied to the software engineering context are social identity theory and group socialization theory. The results show that literature provides social-psychological reasons for the popularity of some agile practices, but that scientific studies are needed to gather empirical evidence on these under-researched topics. Understanding deeper psychological theories could provide a better understanding of the psychological processes when building autonomous agile team, which could then lead to better predictability and intervention in relation to human factors

Combined Use of Serum Adiponectin and Tumor Necrosis Factor-Alpha Receptor 2 Levels Was Comparable to 2-Hour Post-Load Glucose in Diabetes Prediction

Background: Adipose tissue inflammation and dysregulated adipokine secretion are implicated in obesity-related insulin resistance and type 2 diabetes. We evaluated the use of serum adiponectin, an anti-inflammatory adipokine, and several proinflammatory adipokines, as biomarkers of diabetes risk and whether they add to traditional risk factors in diabetes prediction. Methods: We studied 1300 non-diabetic subjects from the prospective Hong Kong Cardiovascular Risk Factor Prevalence Study (CRISPS). Serum adiponectin, tumor necrosis factor-alpha receptor 2 (TNF-α R2), interleukin-6 (IL-6), adipocyte-fatty acid binding protein (A-FABP) and high-sensitivity C-reactive protein (hsCRP) were measured in baseline samples. Results: Seventy-six participants developed diabetes over 5.3 years (median). All five biomarkers significantly improved the log-likelihood of diabetes in a clinical diabetes prediction (CDP) model including age, sex, family history of diabetes, smoking, physical activity, hypertension, waist circumference, fasting glucose and dyslipidaemia. In ROC curve analysis, "adiponectin + TNF-α R2" improved the area under ROC curve (AUC) of the CDP model from 0.802 to 0.830 (P = 0.03), rendering its performance comparable to the "CDP + 2-hour post-OGTT glucose" model (AUC = 0.852, P = 0.30). A biomarker risk score, derived from the number of biomarkers predictive of diabetes (low adiponectin, high TNF-α R2), had similar performance when added to the CDP model (AUC = 0.829 [95% CI: 0.808-0.849]). Conclusions: The combined use of serum adiponectin and TNF-α R2 as biomarkers provided added value over traditional risk factors for diabetes prediction in Chinese and could be considered as an alternative to the OGTT. © 2012 Woo et al.published_or_final_versio

Acceptability of Carraguard Vaginal Microbicide Gel among HIV-Infected Women in Chiang Rai, Thailand

Background: Few studies of microbicide acceptability among HIV-infected women have been done. We assessed CarraguardH vaginal gel acceptability among participants in a randomized, controlled, crossover safety trial in HIV-infected women in Thailand. Methodology/Principal Findings: Participants used each of 3 treatments (Carraguard gel, methylcellulose placebo gel, and no product) for 7 days, were randomized to one of six treatment sequences, and were blinded to the type of gel they received in the two gel-use periods. After both gel-use periods, acceptability was assessed by face-to-face interview. Responses were compared to those of women participating in two previous Carraguard safety studies at the same study site. Sixty women enrolled with a median age of 34 years; 25 % were sexually active. Self-reported adherence (98%) and overall satisfaction rating of the gels (87% liked ‘‘somewhat’ ’ or ‘‘very much’’) were high, and most (77%) considered the volume of gel ‘‘just right.’ ’ For most characteristics, crossover trial participants evaluated the gels more favorably than women in the other two trials, but there were few differences in the desired characteristics of a hypothetical microbicide. Almost half (48%) of crossover trial participants noticed a difference between Carraguard and placebo gels; 33 % preferred Carraguard while 12 % preferred placebo (p=0.01). Conclusions/Significance: Daily Carraguard vaginal gel use was highly acceptable in this population of HIV-infecte

The KCNJ11 E23K Polymorphism and Progression of Glycaemia in Southern Chinese: A Long-Term Prospective Study

Context: The KCNJ11 E23K variant is associated with type 2 diabetes mellitus (T2DM) in cross-sectional studies, but conflicting findings have been reported from prospective studies. Objective: This study aimed to evaluate whether the E23K variant could predict glycaemic progression in a Southern Chinese population. Methods/Principal Findings: We performed a long-term prospective study on 1912 subjects from the Hong Kong Cardiovascular Risk Factors Prevalence Study (CRISPS). The KCNJ11 E23K variant was associated with the progression to prediabetes after a median interval of 12 years on multinomial logistic regression analysis, even after adjustment for traditional risk factors (OR 1.29, P age, sex, BMI and fasting plasma glucose [FPG] adjusted = 0.02). Based on Cox proportional hazard regression analysis, the E23K variant also predicted incident prediabetes (HR 1.18, P age, sex, BMI and FPG adjusted = 0.021). However, E23K was not associated with the progression to T2DM in either multinomial or Cox regression analysis, and the association of E23K with glycaemic progression to either prediabetes or T2DM was significant only in unadjusted Cox regression analysis (P = 0.039). In a meta-analysis of eight prospective studies including our own, involving 15680 subjects, the E23K variant was associated with incident T2DM (fixed effect: OR 1.10, P = 4×10 -3; random effect: OR 1.11, P = 0.035). Conclusions: Our study has provided supporting evidence for the role of the E23K variant in glycaemic progression in Chinese, with its effect being more evident in the early stage of T2DM, as the subjects progressed from normal glucose tolerance to prediabetes. © 2011 Cheung et al.published_or_final_versio

Histo-Blood Group Gene Polymorphisms as Potential Genetic Modifiers of Infection and Cystic Fibrosis Lung Disease Severity

The pulmonary phenotype in cystic fibrosis (CF) is variable; thus, environmental and genetic factors likely contribute to clinical heterogeneity. We hypothesized that genetically determined ABO histo-blood group antigen (ABH) differences in glycosylation may lead to differences in microbial binding by airway mucus, and thus predispose to early lung infection and more severe lung disease in a subset of patients with CF. infection in the severe or mild groups. Multivariate analyses of other clinical phenotypes, including gender, asthma, and meconium ileus demonstrated no differences between groups based on ABH type. infection, nor was there any association with other clinical phenotypes in a group of 808 patients homozygous for the ΔF508 mutation