Miracle-dz/UniFAR-FTUs huggingface dataset:
Core level binding energies of functionalized and defective graphene

X-ray photoelectron spectroscopy (XPS) is a widely used tool for studying the chemical composition of materials and it is a standard technique in surface science and technology. XPS is particularly useful for characterizing nanostructures such as carbon nanomaterials due to their reduced dimensionality. In order to assign the measured binding energies to specific bonding environments, reference energy values need to be known. Experimental measurements of the core level signals of the elements present in novel materials such as graphene have often been compared to values measured for molecules, or calculated for finite clusters. Here we have calculated core level binding energies for variously functionalized or defected graphene by delta Kohn–Sham total energy differences in the real-space grid-based projector-augmented wave density functional theory code (GPAW). To accurately model extended systems, we applied periodic boundary conditions in large unit cells to avoid computational artifacts. In select cases, we compared the results to all-electron calculations using an ab initio molecular simulations (FHI-aims) code. We calculated the carbon and oxygen 1s core level binding energies for oxygen and hydrogen functionalities such as graphane-like hydrogenation, and epoxide, hydroxide and carboxylic functional groups. In all cases, we considered binding energy contributions arising from carbon atoms up to the third nearest neighbor from the functional group, and plotted C 1s line shapes by using experimentally realistic broadenings. Furthermore, we simulated the simplest atomic defects, namely single and double vacancies and the Stone–Thrower–Wales defect. Finally, we studied modifications of a reactive single vacancy with O and H functionalities, and compared the calculated values to data found in the literature.
Diacylglycerol kinase ζ regulates RhoA activation via a kinase-independent scaffolding mechanism

The dissociation of individual Rho GTPases from RhoGDI ensures appropriate responses to cellular signals. The enzyme diacylglycerol kinase ζ (DGKζ) serves as a scaffold to assemble a signaling complex that functions as a RhoA-specific RhoGDI dissociation factor. DGKζ deficiency impairs RhoA activation and stress fiber formation in fibroblasts.
Occupational exposure to sharps and splash: Risk among health care providers in three tertiary care hospitals in South India

Occupational exposure to blood and body fluids places Health care providers at risk of infection with blood borne viruses including HIV. To understand Health Care Providers' (HCP*) perception of risk of occupational exposure to needles, blood and body fluids, to find out the correlates of exposure and to identify groups of HCP at high risk of sustaining maximum number of such exposures. A cross sectional survey was conducted on HCP in three tertiary care hospitals in Kerala, between August 20th and October 30th, 2004 Chi square test, independent-sample T test and one-way ANOVA was used for analysis. Overall, 74.5% (95% CI 71.3 to 78.2) of the respondents were exposed at least once in the last 12 months. Surgeons were exposed most frequently, with a mean of 3.8 injuries per person per year. Injection needles were responsible for 68% of the injuries. Those who underwent the in-service training program on needle safety were less injured ( P =0.001). Only 4% of surgeons had undergone needle safety training. Almost half the surgeons, anesthetists and medical students did not know the reporting procedure and only 10% of anesthetists knew about the provision of Post Exposure Prophylaxis (PEP). A considerable proportion of respondents (85%) (95% CI- 81.2 to 88.5) were concerned about acquiring blood borne infections and 90% were immunized against Hepatitis B. Training of Health care providers is absolutely essential for injury reduction and should take into account the varying incidence of exposure across different occupation groups.
The Quiescent X-Ray Spectrum of the Neutron Star in Centaurus X-4 Observed with Chandra/ACIS-S

We report on spectral and intensity variability analysis from a Chandra/ACIS-S observation of the transient, type I X-ray bursting low-mass X-ray binary Cen X-4. The quiescent X-ray spectrum during this observation is statistically identical to one observed previously with BeppoSAX and close, but not identical, to one observed previously with ASCA. The X-ray spectrum is best described as a pure hydrogen atmosphere thermal spectrum plus a power-law component that dominates the spectrum above 2 keV. The best-fit radius of the neutron star is r = 12.9 ± 2.6 (d/1.2 kpc) km if the interstellar absorption is fixed at the value implied by the optical reddening. Allowing the interstellar absorption to be a free parameter yields r = 19 (d/1.2 kpc) km (90% confidence). The thermal spectrum from the neutron star surface is inconsistent with a solar metallicity. We find a 3 σ upper limit of rms variability ≤18% (0.2-2.0 keV; 0.0001-1 Hz) during the observation. On the other hand, the 0.5-10.0 keV luminosity decreased by 40 ± 8% in the 4.9 yr between the ASCA and Chandra observations. This variability can be attributed to the power-law component. Moreover, we limit the variation in thermal temperature to ≲10% over these 4.9 yr. The stability of the thermal temperature and emission-area radius supports the interpretation that the quiescent thermal emission is caused by the hot neutron star core.
Characterisation of Glass Fibre Polypropylene and GFPP based Fibre Metal Laminates at high strain rates

Fibre reinforced polymers (FRP) are finding increasing use in structures subjected to high rate loading such as blast or impact. Proper design of such structures requires thorough characterisation of the material behaviour over a range of loading rates from quasi-static to impact. This thesis investigated the quasi-static and impact response of Glass Fibre Polypropylene (GFPP) in compression, bending and delamination. The bending and delamination response of Fibre Metal Laminates (FMLs) based on GFPP and aluminium was also investigated at quasi-static and impact rates. High strain rate (5× 10− 10/s) compression tests were conducted on GFPP using a compressive Split Hopkinson Pressure Bar (SHPB) and a Direct Impact Hopkinson Pressure Bar (DIHPB), in the through-thickness and in-plane directions. In both loading directions, the peak stress of GFPP increased linearly with the logarithm of strain rate. For in-plane loading, the failure modes were dominated by localised fibre buckling and kink bands, leading to delamination. The through thickness loading produced macroscopic shear and spreading failure modes. However, both of these failure modes are linked to in-ply fibre failures, due to through thickness compression causing transverse tensile strain. Previous studies of similar materials have not explicitly stated the link between through thickness compression and fibre failure associated with transverse tensile strain. A novel test rig was developed for Three Point bend testing at impact rates. The specimen was supported at the outer points on a rigid impacter and accelerated towards a single output Hopkinson Pressure Bar (HPB), which impacted the specimen at its midspan. Previous impact bend test rigs based on HPBs were limited to testing specimens with deflections to failure up to approximately 1mm, whereas the rig implemented herein measured deflections up to approximately 10 mm. This configuration permits the output HPB to be chosen purely on the magnitude of the expected impact force, which resulted in superior force resolution to configurations used in other studies. The HPB Impact Bend rig was used to test GFPP and aluminium-GFPP FML specimens, at impact velocities ranging from 5 to 12m/s. The flexural strength of GFPP increased with strain rate, while the flexural response of the FML specimens was relatively insensitive to strain rate.
Intentional and automatic numerical processing as predictors of mathematical abilities in primary school children

Previous studies have suggested that numerical processing relates to mathematical performance, but it seems that such relationship is more evident for intentional than for automatic numerical processing. In the present study we assessed the relationship between the two types of numerical processing and specific mathematical abilities in a sample of 109 children in grades 1–6. Participants were tested in an ample range of mathematical tests and also performed both a numerical and a size comparison task. The results showed that numerical processing related to mathematical performance only when inhibitory control was involved in the comparison tasks. Concretely, we found that intentional numerical processing, as indexed by the numerical distance effect in the numerical comparison task, was related to mathematical reasoning skills only when the task-irrelevant dimension (the physical size) was incongruent; whereas automatic numerical processing, indexed by the congruency effect in the size comparison task, was related to mathematical calculation skills only when digits were separated by small distance. The observed double dissociation highlights the relevance of both intentional and automatic numerical processing in mathematical skills, but when inhibitory control is also involved.
Functional and Molecular Comparison of Anergic and Regulatory T Lymphocytes1

Tolerance in vivo is maintained by multiple mechanisms that function to prevent autoimmunity. An encounter of CD4+ T cells with a circulating self-Ag leads to partial thymic deletion, the development of CD25+ regulatory T cells (Tregs), and functional anergy in the surviving CD25− population. We have compared anergic and regulatory T cells of the same Ag specificity generated in vivo by the systemic self-Ag. Anergic cells are unresponsive to the self-Ag that induces tolerance, but upon transfer into a new host and immunization, anergic cells can induce a pathologic autoimmune reaction against tissue expressing the same Ag. Tregs, in contrast, are incapable of mediating harmful reactions. To define the basis of this functional difference, we have compared gene expression profiles of anergic and regulatory T cells. These analyses show that Tregs express a distinct molecular signature, but anergic cells largely lack such a profile. Anergic cells express transcripts that are associated with effector differentiation, e.g., the effector cytokines IL-4 and IFN-γ. Anergic cells do not produce these cytokines in response to self-Ag, because the cells exhibit a proximal signaling block in response to TCR engagement. Thus, anergy reflects an aborted activation pathway that can readily be reversed, resulting in pathologic effector cell responses, whereas Treg development follows a distinct developmental pathway that extinguishes effector functions.
Large-signal model of AlGaAs P-HEMT under optical illumination

As an extension of our previous works in the optical-microwave interaction field, this paper shows the result of the research on large signal dynamic behavior (Pulsed I/V curves) of AlGaAs P-HEMT (pseudomorphic high electron mobility transistor) devices, in the overall I/V plane, when the incident optical input power is changed. A complete bias and optical power dependent of the large signal model for a PHEMT is determined from experimental scattering parameters, DC and pulsed measurements. All derivatives of the model shown here are continuous for a realistic description of circuit distortion and intermodulation. Experimental results show very good agreement with the theoretical analysis.
Dual effect of parity on breast cancer risk in African-American women.

BACKGROUND In the United States, breast cancer incidence is higher among African-American women than among white women before age 45 but lower at older ages. To explore whether differences in childbearing patterns can explain this observation, we assessed the relation of several childbearing variables to breast cancer risk in a large prospective cohort study of U.S. African-American women. METHODS Black Women's Health Study participants were enrolled in 1995 and were followed by mailed questionnaires every 2 years (in 1997 and 1999). Of the 64,500 women enrolled, 56,725 (88%) completed at least one of the follow-up questionnaires. During 214,862 person-years of follow-up, participants reported 349 breast cancers, of which 128 were among women younger than 45 years and 221 were among women aged 45-70 years. Incidence rate ratios (IRRs) with 95% confidence intervals (CIs) were derived from age-stratified Cox regression models that adjusted for each of the childbearing variables (parity, age at first birth, and time since last birth). RESULTS Compared with primiparity, high parity was associated with an increased risk of breast cancer among women younger than 45 years (IRR for four or more births = 2.4, 95% CI = 1.1 to 5.1) and a decreased risk among women aged 45 years and older (IRR = 0.5, 95% CI = 0.3 to 0.9). The IRR for late age at first birth compared with early age was 2.5 (95% CI = 1.1 to 5.8) among the younger women and was not elevated among older women. We found no statistically significant association of time since last birth with breast cancer risk among either younger or older women. CONCLUSIONS Parity has a dual association with breast cancer risk in African-American women; among women younger than 45 years, parity is associated with an increased risk and among women 45 years and older it is associated with a decreased risk. This dual effect may explain some of the observed differences in breast cancer incidence rates among African-American and white women.
New Metrics for Evaluating Viral Respiratory Pathogenesis

Viral pathogenesis studies in mice have relied on markers of severe systemic disease, rather than clinically relevant measures, to evaluate respiratory virus infection; thus confounding connections to human disease. Here, whole-body plethysmography was used to directly measure changes in pulmonary function during two respiratory viral infections. This methodology closely tracked with traditional pathogenesis metrics, distinguished both virus- and dose-specific responses, and identified long-term respiratory changes following both SARS-CoV and Influenza A Virus infection. Together, the work highlights the utility of examining respiratory function following infection in order to fully understand viral pathogenesis.
Influence of Stress State on the Mechanical Impact and Deformation Behaviors of Aluminum Alloys

: Under impact loading conditions, the stress state derived from the contact between the projectile and the target, as well as from the subsequent mechanical waves, is a variable of great interest. The geometry of the projectile plays a dertermining role in the resulting stress state in the targeted structure. In this regard, different stress states lead to different failure modes. In this work, we analyze the inﬂuence of the stress state on the deformation and failure behaviors of three aluminum alloys that are commonly used in the aeronautical, naval, and automotive industries. To this purpose, tension-torsion tests are performed covering a wide range of stress triaxialities and Lode parameters. Secondly, the observations from these static tests are compared to failure mode of the same materials at high impact velocities tests with the aim of analysing the role of stress state and strain rate in the mechanical response of the aluminum plates. Experimental impacts are conducted with different projectile geometries to allow for the analysis of stress states inﬂuence. In addition, these experiments are simulated by using ﬁnite element models to evaluate the predictive capability of three failure criteria: critical plastic deformation, Johnson-Cook, and Bai-Wierzbicki. and different thickness plate to induce different stress states. In addition, numerical models are developed for to complement the analysis of stress state (triaxiality and Lode parameter) and strain rate effects. The analysis can evaluate the observations from static tests are compared to failure mode of the same materials at high impact velocities tests. Experimental impact tests are conducted with different projectile geometries and different thickness plate to induce different
Development and implementation of a biomedical informatics course for medical students: challenges of a large-scale blended-learning program

Biomedical informatics (BMI) competencies are recognized as core requirements for the healthcare professional, but the amount of BMI educational interventions in the curricula of medical schools is limited. UNAM Faculty of Medicine in Mexico is a large public medical school, with more than 7000 undergraduate students. The undergraduate program recently underwent a major curricular revision, which includes BMI education. Two one-semester BMI courses (BMI-1 and BMI-2) were designed, with a blended-learning educational model. A department of BMI was created, with budget, offices and personnel. The first class of 1199 students started the course in 2010, with 32 groups of 40 students each. BMI-1 includes core conceptual notions of informatics applied to medicine (medical databases, electronic health record, telemedicine, among other topics), and BMI-2 embodies medical decision making and clinical reasoning. The program had a positive evaluation by students and teachers. BMI can be successfully incorporated in a large-scale medical school program in a developing country, using a blended-learning model and organizational change strategies.
Caudal Pneumaticity and Pneumatic Hiatuses in the Sauropod Dinosaurs Giraffatitan and Apatosaurus

Skeletal pneumaticity is found in the presacral vertebrae of most sauropod dinosaurs, but pneumaticity is much less common in the vertebrae of the tail. We describe previously unrecognized pneumatic fossae in the mid-caudal vertebrae of specimens of Giraffatitan and Apatosaurus. In both taxa, the most distal pneumatic vertebrae are separated from other pneumatic vertebrae by sequences of three to seven apneumatic vertebrae. Caudal pneumaticity is not prominent in most individuals of either of these taxa, and its unpredictable development means that it may be more widespread than previously recognised within Sauropoda and elsewhere in Saurischia. The erratic patterns of caudal pneumatization in Giraffatitan and Apatosaurus, including the pneumatic hiatuses, show that pneumatic diverticula were more broadly distributed in the bodies of the living animals than are their traces in the skeleton. Together with recently published evidence of cryptic diverticula—those that leave few or no skeletal traces—in basal sauropodomorphs and in pterosaurs, this is further evidence that pneumatic diverticula were widespread in ornithodirans, both across phylogeny and throughout anatomy.
Pharmacological Dissection and Distribution of NaN/Nav1.9, T-type Ca2+ Currents, and Mechanically Activated Cation Currents in Different Populations of DRG Neurons

Low voltage–activated (LVA) T-type Ca2+ (ICaT) and NaN/Nav1.9 currents regulate DRG neurons by setting the threshold for the action potential. Although alterations in these channels have been implicated in a variety of pathological pain states, their roles in processing sensory information remain poorly understood. Here, we carried out a detailed characterization of LVA currents in DRG neurons by using a method for better separation of NaN/Nav1.9 and ICaT currents. NaN/Nav1.9 was inhibited by inorganic ICa blockers as follows (IC50, μM): La3+ (46) > Cd2+ (233) > Ni2+ (892) and by mibefradil, a non-dihydropyridine ICaT antagonist. Amiloride, however, a preferential Cav3.2 channel blocker, had no effects on NaN/Nav1.9 current. Using these discriminative tools, we showed that NaN/Nav1.9, Cav3.2, and amiloride- and Ni2+-resistant ICaT (AR-ICaT) contribute differentially to LVA currents in distinct sensory cell populations. NaN/Nav1.9 carried LVA currents into type-I (CI) and type-II (CII) small nociceptors and medium-Aδ–like nociceptive cells but not in low-threshold mechanoreceptors, including putative Down-hair (D-hair) and Aα/β cells. Cav3.2 predominated in CII-nociceptors and in putative D-hair cells. AR-ICaT was restricted to CII-nociceptors, putative D-hair cells, and Aα/β-like cells. These cell types distinguished by their current-signature displayed different types of mechanosensitive channels. CI- and CII-nociceptors displayed amiloride-sensitive high-threshold mechanical currents with slow or no adaptation, respectively. Putative D-hair and Aα/β-like cells had low-threshold mechanical currents, which were distinguished by their adapting kinetics and sensitivity to amiloride. Thus, subspecialized DRG cells express specific combinations of LVA and mechanosensitive channels, which are likely to play a key role in shaping responses of DRG neurons transmitting different sensory modalities.
Electronic Structure Trumps Planarity: Unexpected Narrow Exciton Delocalization in PNDIT2 Revealed by Time‐Resolved Electron Paramagnetic Resonance (EPR) Spectroscopy

Exciton delocalization in organic semiconductors, due to its direct relation to device efficiency, is of outstanding importance. Time‐resolved electron paramagnetic resonance spectroscopy of light‐induced triplet excitons gives access to the delocalization length in a unique way, connecting it to both, electronic structure and overall conformational flexibility. Systematically investigating building blocks of increasing length and comparing the results with the polymer deepens the understanding of the structure–function relationship in organic semiconductors. Applying this approach to the n‐type polymer poly{[N,N′‐bis(2‐octyldodecyl)‐naphthalene‐1,4,5,8‐bis(dicarboximide)‐2,6‐diyl]‐alt‐5,5′‐(2,2′‐bithiophene)} (PNDIT2) known for its remarkable charge‐carrier mobility reveals the triplet exciton in this polymer to be strongly confined to no more than two repeat units. Furthermore, neither planarity nor extent of backbone conjugation seem to be good indicators for the exciton delocalization length.