Miracle-dz/UniFAR-FTUs huggingface dataset:
A Computational Analysis of the Reaction of SO2 with Amino Acid Anions: Implications for Its Chemisorption in Biobased Ionic Liquids

We report a series of calculations to elucidate one possible mechanism of SO2 chemisorption in amino acid-based ionic liquids. Such systems have been successfully exploited as CO2 absorbents and, since SO2 is also a by-product of fossil fuels’ combustion, their ability in capturing SO2 has been assessed by recent experiments. This work is exclusively focused on evaluating the efficiency of the chemical trapping of SO2 by analyzing its reaction with the amino group of the amino acid. We have found that, overall, SO2 is less reactive than CO2, and that the specific amino acid side chain (either acid or basic) does not play a relevant role. We noticed that bimolecular absorption processes are quite unlikely to take place, a notable difference with CO2. The barriers along the reaction paths are found to be non-negligible, around 7–11 kcal/mol, and the thermodynamic of the reaction appears, from our models, unfavorable.
A Hybrid Pulse Frequency Modulation Control Strategy for L-LLC Resonant Converter

The traditional control strategy for the L-LLC resonant converter is the synchronous unequal width pulse frequency modulation (SUW PFM). However, this strategy causes a large circulating power in the forward buck and reverse boost modes, especially when the voltage gain deviates from 1. To solve the limitations of the SUW PFM, a novel constant width PFM (CW PFM) is proposed in this article, which can reduce the circulating power and improve the converter efficiency in the forward buck and reverse boost modes. Furthermore, a hybrid PFM control strategy is proposed by merging the appropriate working conditions of the CW PFM and the SUW PFM, which can flexibly switch the two modulations depending on the gain and load conditions. Therefore, the L-LLC resonant converter has good soft-switching characteristics in entire load and gain ranges. Finally, a 7.5-kW L-LLC resonant converter prototype is built to verify the validity and superiority of the proposed control strategy.
Presburger arithmetic with stars, rational subsets of graph groups, and nested zero tests

We study the computational complexity of existential Presburger arithmetic with (possibly nested occurrences of) a Kleene-star operator. In addition to being a natural extension of Presburger arithmetic, our investigation is motivated by two other decision problems. The first problem is the rational subset membership problem in graph groups. A graph group is an infinite group specified by a finite undirected graph. While a characterisation of graph groups with a decidable rational subset membership problem was given by Lohrey and Steinberg [J. Algebra, 320(2) (2008)], it has been an open problem (i) whether the decidable fragment has elementary complexity and (ii) what is the complexity for each fixed graph group. The second problem is the reachability problem for integer vector addition systems with states and nested zero tests. We prove that the satisfiability problem for existential Pres-burger arithmetic with stars is NEXP-complete and that all three problems are polynomially inter-reducible. Moreover, we consider for each problem a variant with a fixed parameter: We fix the star-height in the logic, a graph parameter for the membership problem, and the number of distinct zero-tests in the integer vector addition systems. We establish NP-completeness of all problems with fixed parameters. In particular, this enables us to obtain a complete description of the complexity landscape of the rational subset membership problem for fixed graph groups: If the graph is a clique, the problem is N L-complete. If the graph is a disjoint union of cliques, it is P-complete. If it is a transitive forest (and not a union of cliques), the problem is NP-complete. Otherwise, the problem is undecidable.
On the origin of fluctuations in the cusp diamagnetic cavity

[1] We have analyzed Cluster magnetic field and plasma data during high-altitude cusp crossing on 14 February 2003. Cluster encountered a diamagnetic cavity (DMC) during northward interplanetary magnetic field (IMF) conditions, and as IMF rotated southward, the spacecraft reencountered the cavity more at the sunward side. The DMC is characterized by a high level of magnetic field fluctuations and high-energy electrons and protons. Ultralow-frequency turbulence has been suggested as a mechanism to accelerate particles in DMC. We demonstrate in this paper for the first time that many of the low-frequency fluctuations in the cavity are back and forth motion of the DMC boundaries over the spacecraft and transient reconnection signatures. We also find examples of some isolated high-amplitude waves that could possibly be nonlinear kinetic magnetosonic modes. The lack of strong wave power at the vicinity of local ion cyclotron frequency in the DMC suggests that perhaps a mechanism other than wave-particle heating is a dominant source for ion heating in DMCs.
Title High-Resolution Melting Analysis for the Rapid Detection of Fluoroquinolone and Streptomycin Resistance in Mycobacterium tuberculosis

Background: Molecular methods for the detection of drug-resistant tuberculosis are potentially more rapid than conventional culture-based drug susceptibility testing, facilitating the commencement of appropriate treatment for patients with drug resistant tuberculosis. We aimed to develop and evaluate high-resolution melting (HRM) assays for the detection of mutations within gyrA, rpsL, and rrs, for the determination of fluoroquinolone and streptomycin resistance in Mycobacterium tuberculosis (MTB). Methodology/Principal Findings: A blinded series of DNA samples extracted from a total of 92 clinical isolates of MTB were analyzed by HRM analysis, and the results were verified using DNA sequencing. The sensitivity and specificity of the HRM assays in comparison with drug susceptibility testing were 74.1% and 100.0% for the detection of fluoroquinolone resistance, and 87.5% and 100.0% for streptomycin resistance. Five isolates with low level resistance to ofloxacin had no mutations detected in gyrA, possibly due to the action of efflux pumps, or false negativity due to mixed infections. One fluoroquinolone-resistant isolate had a mutation in a region of gyrA not encompassed by our assay. Six streptomycinresistant strains had undetectable mutations by HRM and DNA sequencing, which may be explained by the fact that not all streptomycin-resistant isolates have mutations within rpsL and rrs, and suggesting that other targets may be involved. Conclusion: The HRM assays described here are potentially useful adjunct tests for the efficient determination of fluoroquinolone and streptomycin resistance in MTB, and could facilitate the timely administration of appropriate treatment for patients infected with drug-resistant TB. Citation: Lee ASG, Ong DCT, Wong JCL, Siu GKH, Yam W-C (2012) High-Resolution Melting Analysis for the Rapid Detection of Fluoroquinolone and Streptomycin Resistance in Mycobacterium tuberculosis. PLoS ONE 7(2): e31934. doi:10.1371/journal.pone. 0031934 Editor: Igor Mokrousov, St. Petersburg Pasteur Institute, Russian Federation Received September 5, 2011; Accepted January 18, 2012; Published February 21, 2012 Copyright: 2012 Lee et al. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited. Funding: This work was supported by a grant from the Biomedical Research Council (BMRC) of Singapore (BMRC 07/1/31/19/511). The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. Competing Interests: The authors have declared that no competing interests exist. * E-mail: dmslsg@nccs.com. sg . These authors contributed equally to this work.
Variance Derivatives: Pricing and Convergence

We examine the pricing of variance swaps and some generalizations and variants such as self-quantoed variance swaps, gamma swaps, skewness swaps and proportional variance swaps.We consider the pricing of both discretely monitored and continuously monitored versions of these swaps when the dynamics of the log of the underlying stock price are driven by (possibly, multiple) time-changed Levy processes. We derive exact and easily implementable formulae for the prices of these swaps in terms of, essentially, the characteristic function of the log of the stock price and its derivatives. We consider the convergence of the prices of discretely monitored versions of these swaps to the prices of their continuously monitored counterparts as the number N of monitoring times is allowed to tend to infi nity. We signi ficantly extend results in Broadie and Jain (2008a) by showing that the prices of discretely monitored variance swaps and all of the generalizations and variants listed above all converge to the prices of their continuously monitored counterparts as O(1/N). We generalize results in Carr and Lee (2009) by relating the prices of variance swaps and the generalizations and variants listed above to the prices of log-forward-contracts and entropy-forward-contracts. Carr and Lee (2009) show that, under an independence assumption, discretely monitored variance swaps are worth at least as much as their continuously monitored counterparts. We extend this result in two directions, by dropping the independence assumption and by proving analogous results for some of the other swaps listed above.
Bundle Gerbes for Orientifold Sigma Models

Bundle gerbes with connection and their modules play an important role in the theory of two-dimensional sigma models with a background Wess-Zumino flux: their holonomy determines the contribution of the flux to the Feynman amplitudes of classical fields. We discuss additional structures on bundle gerbes and gerbe modules needed in similar constructions for orientifold sigma models describing closed and open strings.
O Professor Ulisses Leite Gomes e sua contribuição para o estudo da anatomia e taxonomia de elasmobrânquios (Chondrichthyes: Elasmobranchii)

Este artigo é uma homenagem ao professor e ictiólogo brasileiro Ulisses Leite Gomes, uma das maiores referências em morfologia e taxonomia de elasmobrânquios no mundo, e que agora está se aposentando após 40 anos de serviços prestados à Universidade do Estado do Rio de Janeiro (UERJ). Aqui, contamos um pouco de sua história e de sua trajetória nos estudos de tubarões e raias e suas importantes contribuições para o conhecimento desse grupo. Ao final, apresentamos depoimentos de ex-alunos(as) e colegas de profissão, que gentilmente se unem a nós nessa homenagem, representando toda a comunidade acadêmica ictiológica.
Non-polynomial spline method for solving the generalized regularized long wave equation

In this paper, non-polynomial spline method for solving the generalized regularized long wave (GRLW) equation are presented. In this paper, we take deferent spline functions . The stability analysis using Von-Neumann technique shows the scheme is marginally stable. To test accuracy the error norms L2, L∞ are computed. Also, the change in conservation quantities a r evaluated which are found to be very small. To illustrate the applicabi lity and efficiency of the basis, we compare obtained numeric al esults with other existing recent methods. Moreover, interaction wo and three solitary waves are shown. The development of th e Maxwellian initial condition into solitary waves is also shown and we sh ow that the number of solitons which are generated from the Ma xwellian initial condition can be determined.
BIO-METRIC IDENTITY BY CONTACTLESS AND CONTACT-BASED MATCHING WITH CONSERVATIVE FINGERPRINT IMAGES

To defend state borders and backup egovernance programs, enormous databases of contactbased fingerprints have been generated. Contactless fingerprints sensors are becoming more popular because they provide a greater cleanliness, security and accuracy. The existing method have capacity to match contactless 2D fingerprints with legacy contact-based fingerprint databases is critical to the adoption and success of such contactless fingerprint technologies. This research looks at the issue and proposes a novel method for reliably matching fingerprint scans. The project consists of a robust thin-plate spline model that was a incorporated for the correction of deformations to address contact based and contactless sensor interoperability problems. The robust thin-plate spline (RTPS) is a new type of spline that can be more correctly describe elastic fingerprint deformations. The RTPS-based generalized fingerprint deformation correction model (DCM) is presented to correct such deformations on contact-based fingerprints. When DCM is used, essential minutiae element on both contactless and contact-based fingerprints are aligned accurately. Incorporating minutiae-related ridges into such cross-matching performance will be researched further. In addition, we create a new database of 1800 contactless 2D fingerprints and the associated contactbased fingerprints obtained from 300 clients, which is made public ally available for further research. Using two public ally available databases, the experimental results provided in this work confirm our approach and produce outperforming results for matching contactless 2D and contact-based fingerprint photos. Automated detection and correction of perspective distortion in contactless fingerprint images is expected to reduce the error rates. This work incorporates more robust core detection algorithms and powerful match strategy.
Influence of the Selection of Reaction Curve’s Representative Points on the Accuracy of the Identified Fractional-Order Model

In this paper, a general procedure for identifying a fractional first-order plus dead-time (FFOPDT) model is presented. This procedure is based on fitting three arbitrary points on the process reaction curve, where process information is obtained from a simple open-loop test. A simplification of the general identification procedure is also considered, where only points symmetrically located on the reaction curve are selected. The proposed symmetrical procedure has been applied to the following sets of representative points: (5–50–95%), (10–50–90%), (15–50–85%), (20–50–80%), (25–50–75%), and (30–50–70%). Analytical expressions of the corresponding FFOPDT model parameters for these sets of symmetrical points have been obtained. In order to show the effectiveness and applicability of this procedure for the identification of fractional-order models and to get insight into the influence of selection of the set of symmetrical points on the accuracy of the identified model, some numerical examples are proposed. This identification procedure gives good results in comparison with other integer- and fractional-order identification methods. Finally, some conclusions and final remarks are offered in this context.
Smad3 Phospho-Isoform Signaling in Nonalcoholic Steatohepatitis

Nonalcoholic fatty liver disease (NAFLD) is characterized by hepatic steatosis with insulin resistance, oxidative stress, lipotoxicity, adipokine secretion by fat cells, endotoxins (lipopolysaccharides) released by gut microbiota, and endoplasmic reticulum stress. Together, these factors promote NAFLD progression from steatosis to nonalcoholic steatohepatitis (NASH), fibrosis, and eventually end-stage liver diseases in a proportion of cases. Hepatic fibrosis and carcinogenesis often progress together, sharing inflammatory pathways. However, NASH can lead to hepatocarcinogenesis with minimal inflammation or fibrosis. In such instances, insulin resistance, oxidative stress, and lipotoxicity can directly lead to liver carcinogenesis through genetic and epigenetic alterations. Transforming growth factor (TGF)-β signaling is implicated in hepatic fibrogenesis and carcinogenesis. TGF-β type I receptor (TβRI) and activated-Ras/c-Jun-N-terminal kinase (JNK) differentially phosphorylate the mediator Smad3 to create two phospho-isoforms: C-terminally phosphorylated Smad3 (pSmad3C) and linker-phosphorylated Smad3 (pSmad3L). TβRI/pSmad3C signaling terminates cell proliferation, while constitutive Ras activation and JNK-mediated pSmad3L promote hepatocyte proliferation and carcinogenesis. The pSmad3L signaling pathway also antagonizes cytostatic pSmad3C signaling. This review addresses TGF-β/Smad signaling in hepatic carcinogenesis complicating NASH. We also discuss Smad phospho-isoforms as biomarkers predicting HCC in NASH patients with or without cirrhosis.
side recombination losses analysis in rear emitter silicon heterojunction solar cells

Rear emitter silicon heterojunction solar cells are attractive because of the lateral conductivity of electrons through the wafer yielding a higher fill factor than conventional front emitter structures. However, minority carriers being collected at the rear of the cell, they are more sensitive to recombination at the front interface. In this paper we present a detailed analysis of recombination losses impacting the short-circuit current; the roles of the (i)a-Si:H buffer layer and of the (n)a-Si:H layers are identified thanks to variation of their thicknesses. We point out the critical role played by both bulk a-Si:H absorption and recombination, as well as the field effect induced by the (n)a-Si:H layer. © 2014 The Authors. Published by Elsevier Ltd. Peer-review under responsibility of the scientific committee of the SiliconPV 2014 conference.
AN UNCERTAINTY PRINCIPLE ON HYPERBOLIC SPACE

In this paper, we establish an uncertainty principle on hyperbolic space H" = SOe(n, l)/SO(n), which prohibits / from being confined to small neighborhoods around any point in H" under certain assumptions on the Fourier transform /, where / is a normalized L1 function on H" .
EXOGENOUS SPERMIDINE IMPROV ES DROUGHT TOLERANCE IN PHYLLOSTACHYS EDULIS SEEDLINGS

Phyllostachys edulis is an endemic and dominant bamboo species in southern China. It suffers often from seasonal drought during the cultivation process. In the present study, the effect of exogenous spermidine (Spd) on the following parameters of leaves of Phyllostachys edulis seedlings under drought stress were studied: The generation rate of superoxide free radical, proline content, REC, MDA content, RWC, Chlorophyll content; and activities of POD, SOD and CAT. The drought stress was caused by 20% polyethyle glycol (PEG) and three concentrations of spermidine were applied (0.0l mmol/LSpd, 0.1 mmol/LSpd, 1.0 mmol/LSpd). Drought stress caused a decrease in growth rate which was related to several physiological changes: decreasing RWC and chlorophyll content and increasing generation rate of superoxide free radical, increasing MDA and REC, and increasing activities of POD and CAT. Foliar application with 0.01mM exogenous Spdincreased POD activity and RWC, but had no effect on SOD activity, Chl(a+b) or Chla/Chlb and also no significant effect on proline content, activity of P5CS, or generation rate of superoxide free radical. The 0.1 mM application with exogenous Spd significantly increased the chlorophyll content and RWC, inhibited the generation rate of superoxide free radical, reduced membrane lipid per-oxidation, returned the activities of antioxidant enzymes to the normal level, and minimized the increases in REC, proline, and MDA content. Application with the highest spermidine concentration (1.0mM Spd) has the same effects apart from the increase of H2O2 content. In conclusion, application with 0.1 mM exogenous Spd can effectively alleviate a series of physiological and biochemical changes caused by drought stress in the bamboo trees. This may provide more insight to the possible mechanisms of how exogenous polyamines can influence the drought resistance of Phyllostachys edulis and in this way facilitate the cultivation of this bamboo species under drought stress.
Extrapolation theory for Stokes flow past a deformed sphere

We formulate a method for computing Stokes flow past a highly deformed sphere with arbitrarily defined surface velocity. The fundamental ingredient is an explicit {\it extrapolation operator} extending a velocity field from the surface of a sphere, which is expressed in terms of a complete set of basis Stokes fields for the pressure and velocity derived from scalar and vector spherical harmonics. We present a matrix algebra packaging suitable for numerical computation to arbitrary order in the deformation amplitude (deviation from sphericity). The hydrodynamic force and torque on a deformed sphere with arbitrary surface velocity are expressed in terms of basis field amplitudes, and for the classic problem of a rotating and translating rigid body, we compute explicitly the first order in deformation corrections to the flow field as well as the hydrodynamic force and torque.
n-type doping of CuInSe2 and CuGaSe2

The efficiency of CuInSe2 based solar cell devices could improve significantly if CuGaSe2, a wider band gap chalcopyrite semiconductor, could be added to the CuInSe2 absorber layer. This is, however, limited by the difficulty of doping n-type CuGaSe2 and, hence, in its alloys with CuInSe2. Indeed, wider-gap members of semiconductor series are often more difficult to dope than lower-gap members of the same series. We find that in chalcopyrites, there are three critical values of the Fermi energy E-F that control n-type doping: (i) E-F(n,pin) is the value of E-F where the energy to form Cu vacancies is zero. At this point, the spontaneously formed vacancies (=acceptors) kill all electrons. (ii) E-F(n,comp) is the value of E-F where the energy to form a Cu vacancy equals the energy to form an n-type dopant, e.g., Cd-Cu. (iii) E-F(n,site) is the value of E-F where the formation of Cd-on-In is equal to the formation of Cd-on-Cu. For good n-type doping, E-F(n,pin), E-F(n,comp), and E-F(n,site) need to be as high as possible in the gap. We find that these quantities are higher in the gap in CuInSe2 than in CuGaSe2, so the latter is difficult to dope n-type. In this work, we calculate all three critical Fermi energies and study theoretically the best growth condition for n-type CuInSe2 and CuGaSe2 with possible cation and anion doping. We find that the intrinsic defects such as V-Cu and In-Cu or Ga-Cu play significant roles in doping in both chalcopyrites. For group-II cation (Cd, Zn, or Mg) doping, the best n-type growth condition is In/Ga-rich, and maximal Se-poor, which is also the optimal condition for stabilizing the intrinsic In-Cu/Ga-Cu donors. Bulk CuInSe2 can be doped at equilibrium n-type, but bulk CuGaSe2 cannot be due to the low formation energy of intrinsic Cu-vacancy. For halogen anion doping, the best n-type materials growth is still under In/Ga-rich, and maximal Se-poor conditions. These conditions are not best for halogen substitutional defects, but are optimal for intrinsic In-Cu/Ga-Cu donors. Again, CuGaSe2 cannot be doped n-type by halogen doping, while CuInSe2 can.