Finite-size scaling considerations on the ground state microcanonical temperature in entropic sampling simulations

In this work we discuss the behavior of the microcanonical temperature $\frac{\partial S(E)}{\partial E}$ obtained by means of numerical entropic sampling studies. It is observed that in almost all cases the slope of the logarithm of the density of states $S(E)$ is not infinite in the ground state, since as expected it should be directly related to the inverse temperature $\frac{1}{T}$. Here we show that these finite slopes are in fact due to finite-size effects and we propose an analytic expression $a\ln(bL)$ for the behavior of $\frac{\varDelta S}{\varDelta E}$ when $L\rightarrow\infty$. To test this idea we use three distinct two-dimensional square lattice models presenting second-order phase transitions. We calculated by exact means the parameters $a$ and $b$ for the two-states Ising model and for the $q=3$ and $4$ states Potts model and compared with the results obtained by entropic sampling simulations. We found an excellent agreement between exact and numerical values. We argue that this new set of parameters $a$ and $b$ represents an interesting novel issue of investigation in entropic sampling studies for different models

Borate-assisted liquid-phase selective oxidation of n-pentane

Oxidation of n-pentane with molecular oxygen to sec-pentanols was performed in the presence of a free radical initiator (di-tert-butyl peroxide) and a boron compound (sec-butyl metaborate), with in situ adsorption of water on molecular sieve 3A. Kinetics of the reaction was studied in a laboratory-scale batch reactor over a broad range of conditions (130‒150°C, 20‒30 bar, 5‒10 vol% "O" _"2" ) in order to establish the optimum parameters for maximising the selectivity and yield of sec-pentanols. Results show that the initiator markedly improves the rate of oxidation, and hence yield, compared to thermal oxidation without an initiator, while the boron species enhances the selectivity to sec-pentanols. Under the conditions investigated, maximum sec-pentanol selectivity is 56% with an alcohol-to-ketone ratio of 3.6:1 for the borate-assisted oxidation compared to 33% and 1.1:1, respectively, for the oxidation without borate. This work demonstrates the feasibility of oxyfunctionalization of n-pentane with industrially relevant selectivity and yield.ExxonMobi

Morbidity and mortality among very preterm singletons following fertility treatment in Australia and New Zealand, a population cohort study

© 2017 The Author(s). Background: Due to high rates of multiple birth and preterm birth following fertility treatment, the rates of mortality and morbidity among births following fertility treatment were higher than those conceived spontaneously. However, it is unclear whether the rates of adverse neonatal outcomes remain higher for very preterm (<32 weeks gestational age) singletons born after fertility treatment. This study aims to compare adverse neonatal outcomes among very preterm singletons born after fertility treatment including assisted reproductive technology (ART) hyper-ovulution (HO) and artificial insemination (AI) to those following spontaneous conception. Methods: The population cohort study included 24069 liveborn very preterm singletons who were admitted to Neonatal Intensive Care Unit (NICU) in Australia and New Zealand from 2000 to 2010. The in-hospital neonatal mortality and morbidity among 21753 liveborn very preterm singletons were compared by maternal mode of conceptions: spontaneous conception, HO, ART and AI. Univariate and multivariate binary logistic regression analysis was used to examine the association between mode of conception and various outcome factors. Odds ratio (OR) and adjusted odds ratio (AOR) and 95% confidence interval (CI) were calculated. Results: The rate of small for gestational age was significantly higher in HO group (AOR 1.52, 95% CI 1.02-2.67) and AI group (AOR 2.98, 95% CI 1.53-5.81) than spontaneous group. The rate of birth defect was significantly higher in ART group (AOR 1.71, 95% CI 1.36-2.16) and AI group (AOR 3.01, 95% CI 1.47-6.19) compared to spontaneous group. Singletons following ART had 43% increased odds of necrotizing enterocolitis (AOR 1.43, 95% CI 1.04-1.97) and 71% increased odds of major surgery (AOR 1.71, 95% CI 1.37-2.13) compared to singletons conceived spontaneously. Other birth and NICU outcomes were not different among the comparison groups. Conclusions: Compared to the spontaneous conception group, risk of congenital abnormality significantly increases after ART and AI; the risk of morbidities increases after ART, HO and AI. Preconception planning should include comprehensive information about the benefits and risks of fertility treatment on the neonatal outcomes

Evaluation of mTOR-regulated mRNA translation.

mTOR, the mammalian target of rapamycin, regulates protein synthesis (mRNA translation) by affecting the phosphorylation or activity of several translation factors. Here, we describe methods for studying the impact of mTOR signalling on protein synthesis, using inhibitors of mTOR such as rapamycin (which impairs some of its functions) or mTOR kinase inhibitors (which probably block all functions).To assess effects of mTOR inhibition on general protein synthesis in cells, the incorporation of radiolabelled amino acids into protein is measured. This does not yield information on the effects of mTOR on the synthesis of specific proteins. To do this, two methods are described. In one, stable-isotope labelled amino acids are used, and their incorporation into new proteins is determined using mass spectrometric methods. The proportions of labelled vs. unlabeled versions of each peptide from a given protein provide quantitative information about the rate of that protein's synthesis under different conditions. Actively translated mRNAs are associated with ribosomes in polyribosomes (polysomes); thus, examining which mRNAs are found in polysomes under different conditions provides information on the translation of specific mRNAs under different conditions. A method for the separation of polysomes from non-polysomal mRNAs is describe

Do interoception and attending to the upper limbs affect body ownership and body representation in the grasp illusion?

Passively grasping an unseen artificial finger induces ownership over this finger and an illusory coming together of one's index fingers: A grasp illusion. Here we determine how interoceptive ability and attending to the upper limbs influence this illusion. Participants passively grasped an unseen artificial finger with their left index finger and thumb for 3 min while their right index finger, located 12 cm below, was lightly clamped. Experiment 1 (n = 30) investigated whether the strength of the grasp illusion (perceived index finger spacing and perceived ownership) is related to a person's level of interoceptive accuracy (modified heartbeat counting task) and sensibility (Noticing subscale of the Multidimensional Assessment of Interoceptive Awareness). Experiment 2 (n = 30) investigated the effect of providing verbal or tactile cues to guide participants' attention to their upper limbs. On their own, neither interoceptive accuracy and sensibility or verbal and tactile cueing had an effect on the grasp illusion. However, verbal cueing increased the strength of the grasp illusion in individuals with lower interoceptive ability. Across the observed range of interoceptive accuracy and sensibility, verbal cueing decreased perceived index spacing by 5.6 cm [1.91 to 9.38] (mean [95%CI]), and perceived ownership by ∼3 points on a 7-point Likert scale (slope -0.93 [-1.72 to -0.15]). Thus, attending to the upper limbs via verbal cues increases the strength of the grasp illusion in a way that is inversely proportional to a person's level of interoceptive accuracy and sensibility

Treatment outcomes of various types of tuberculosis in Pakistan, 2006 and 2007

Measuring treatment outcome is important for successful tuberculosis (TB) control programmes. The purpose of this study was to examine the outcomes of various types of TB cases registered in Pakistan over a 2-year period and compare those outcomes among the different provinces and regions of the country. A retrospective, cohort study was conducted in which TB treatment outcome reports were reviewed. Of the 349 694 pulmonary TB cases registered in Pakistan during 2006 and 2007, 309 154 (88.4%) were treated successfully. Treatment success was significantly higher in new smear-positive cases and lower in retreatment cases. Among the provinces and regions, treatment success was significantly higher in 4 out of 8 provinces. Treatment success needs to be improved, particularly in retreatment cases. The national TB control programme should review the provincial and regional programmes and learn lessons from well-performing programmes. Patient factors that may affect the treatment outcome should be also studied

The Biosynthesis of Enzymatically Oxidized Lipids

Enzymatically oxidized lipids are a specific group of biomolecules that function as keysignaling mediators and hormones, regulating various cellular and physiological processesfrom metabolism and cell death to inflammation and the immune response. They arebroadly categorized as either polyunsaturated fatty acid (PUFA) containing (free acidoxygenated PUFA “oxylipins”, endocannabinoids, oxidized phospholipids) or cholesterolderivatives (oxysterols, steroid hormones, and bile acids). Their biosynthesis isaccomplished by families of enzymes that include lipoxygenases (LOX),cyclooxygenases (COX), cytochrome P450s (CYP), and aldo-keto reductases (AKR). Incontrast, non-enzymatically oxidized lipids are produced by uncontrolled oxidation andare broadly considered to be harmful. Here, we provide an overview of the biochemistryand enzymology of LOXs, COXs, CYPs, and AKRs in humans. Next, we presentbiosynthetic pathways for oxylipins, oxidized phospholipids, oxysterols, bile acids andsteroid hormones. Last, we address gaps in knowledge and suggest directions forfuture work

Diffusion-absorption refrigeration cycle simulations in gPROMS using SAFT-γ Mie

Diffusion-absorption refrigeration (DAR) is a clean thermally-powered refrigeration technology that can readily be activated by low- to medium-grade renewable heat. There is an ongoing interest in identifying or designing new working fluids for performance improvement, particularly in solar applications with non-concentrating solar collectors providing heat at temperatures < 150 °C. In this work, the state-of-the-art statistical associating fluid theory (SAFT) is adopted for predicting the thermodynamic properties of suitable DAR working fluids. A first-law thermodynamic analysis is performed in the software environment gPROMS for a DAR cycle using ammonia as the refrigerant, water as the absorbent and hydrogen as the auxiliary gas. The simulation results show good agreement with experimental data generated in a prototype DAR system with a nominal cooling capacity of 100 W. In particular, at a charge pressure of 17 bar and when delivering cooling at 5 °C, the model results agree with experimental COP data to within ± 7 % over a range of heat inputs from 150 to 500 W. The maximum coefficient of performance (COP) is estimated to be 0.24 at a heat input of 250 W. The group-contribution SAFT-γ Mie equation of state is of particular interest as it offers good agreement with experimental data and provides flexibility in extending the model to test different working fluids with a high degree of fidelity. A methodology is also presented that allows the DAR thermodynamic analysis and working-fluid modelling to be integrated into a more general technology optimisation framework

Multidimensional synthetic chiral-tube lattices via nonlinear frequency conversion.

Geometrical dimensionality plays a fundamentally important role in the topological effects arising in discrete lattices. Although direct experiments are limited by three spatial dimensions, the research topic of synthetic dimensions implemented by the frequency degree of freedom in photonics is rapidly advancing. The manipulation of light in these artificial lattices is typically realized through electro-optic modulation; yet, their operating bandwidth imposes practical constraints on the range of interactions between different frequency components. Here we propose and experimentally realize all-optical synthetic dimensions involving specially tailored simultaneous short- and long-range interactions between discrete spectral lines mediated by frequency conversion in a nonlinear waveguide. We realize triangular chiral-tube lattices in three-dimensional space and explore their four-dimensional generalization. We implement a synthetic gauge field with nonzero magnetic flux and observe the associated multidimensional dynamics of frequency combs, all within one physical spatial port. We anticipate that our method will provide a new means for the fundamental study of high-dimensional physics and act as an important step towards using topological effects in optical devices operating in the time and frequency domains