bluuebunny/crossref_metadata_2025_split huggingface dataset:
Product channels in the reaction of the CH3SO radical with NO2: DFT and ab initio studies
Authors: Lesar Antonija 
Published: May 2011

AbstractThe stationary points involved in the CH3SO + NO2 radical‐radical reaction were examined at the B3LYP/6‐311++G(2df,2pd) and CCSD/cc‐pVDZ levels of theory. Singlet potential energy surface was calculated using the CCSD(T)/aug‐cc‐pVTZ//CCSD/CC‐pVDZ single‐point calculations and the CBS‐QB3 composite method. The association between radicals is confirmed to be a barrierless process and resulted in the two low‐energy intermediates, CH3S(O)NO2 and CH3S(O)ONO. The CH3S(O)ONO intermediate decomposes directly to the CH3SO2 + NO products with the NO bond dissociation energy of 7.9 kcal mol−1. Although the dissociation of the CS bond in the CH3SO2 requires an energy of 16.3 kcal mol−1, the formation of final CH3 + SO2 + NO products is very likely, because their energy level is by 3.4 kcal mol−1 still lower relative to that of the reactants. The formation of the CH2SO + HONO products from CH3S(O)ONO can proceed through the three‐center transition state, but it is not important due to significant barrier well above the energy level of reactants. Eventually, CH2SO + HONO may be generated in the direct H‐abstraction from CH3SO radical by NO2. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Phase transitions for random walk asymptotics on free products of groups
Authors: Candellero Elisabetta , Gilch Lorenz A. 
Published: May 2011

AbstractSuppose we are given finitely generated groups Γ1,…,Γm equipped with irreducible random walks. Thereby we assume that the expansions of the corresponding Green functions at their radii of convergence contain only logarithmic or algebraic terms as singular terms up to sufficiently large order (except for some degenerate cases). We consider transient random walks on the free product Γ1* … *Γm and give a complete classification of the possible asymptotic behaviour of the corresponding n‐step return probabilities. They either inherit a law of the form ϱnδn log n from one of the free factors Γi or obey a ϱnδn−3/2‐law, where ϱ < 1 is the corresponding spectral radius and δ is the period of the random walk. In addition, we determine the full range of the asymptotic behaviour in the case of nearest neighbour random walks on free products of the form
\documentclass{article} \usepackage{amsmath, amsthm, amssymb, amsfonts}\pagestyle{empty}\begin{document} $\mathbb{Z}^{d_1}\ast \ldots \ast \mathbb{Z}^{d_m}$ \end{document}. Moreover, we characterize the possible phase transitions of the non‐exponential types n log n in the case Γ1 * Γ2. © 2011 Wiley Periodicals, Inc. Random Struct. Alg., 2012
Surface modification of vitreoretinal surgical instruments with layer‐by‐layer films
Authors: Valentin‐Rodriguez Celimar , Tezel Tongalp H. , Ivanisevic Albena 
Published: May 2011

AbstractCommercially available vitreoretinal surgical forceps were modified with layer‐by‐layer (LbL) films designed to render them the ability to specifically adhere human the inner limiting membrane. Surgical forceps with two different geometries were etched, polished, and silanized before deposition of the films composed of poly (allylamine hydrochloride), poly (styrene sulfonate), and cationic gold nanoparticles. Stability and integrity of the LbL films was scrutinized by exposing the modified forceps to commercial disinfectant Cidex‐OPA and then placing the instruments in a physiological‐like HEPES buffer (pH 7.4, 5 mM, 154 mM NaCl). Surface topography analysis with scanning electron microscopy revealed that the geometry of the surgical instrument may affect the integrity of the film. Analysis of the HEPES buffer with inductively coupled plasma mass spectrometry demonstrated that gold nanoparticles did not leach from the LbL film after 60 min. SCANNING 33:397–401, 2011. © 2011 Wiley Periodicals, Inc.
Discovering AODV‐based multipath routes in wireless ad hoc networks
Authors: Li Gang , Sun Hongmei 
Published: May 2011

ABSTRACTMultipath extension of ad hoc on‐demand distance vector (AODV) protocol can provide reliable and adaptable routes in mobile ad hoc networks. In this paper, we propose an AODV‐based acyclic multipath routing method, which uses a dynamic hop count to discover loop‐free multipath routes. The advantage of our method is that it allows a node to add a route entry with a hop count that is larger than its current hop count. This increases the possibility to find more loop‐free route backups. To evaluate the performance, we present the simulation at the end of the paper and compare it with ad hoc on‐demand multipath distance vector (AOMDV) protocol and others. Copyright © 2011 John Wiley & Sons, Ltd.
Security analysis of an ultra‐lightweight RFID authentication protocol—SLMAP*
Authors: Erguler Imran , Unsal Cihan , Anarim Emin , Saldamli Gokay 
Published: May 2011

ABSTRACTComputational constraints mostly driven by the cost concerns of radio frequency identification tags only permit to have security schemes that are simple combinations of elementary operations rather than the bullet proven yet computationally intensive cryptographic primitives. As ultra‐lightweight authentication protocols use only basic bitwise and arithmetic operations such as XOR, OR, and addition modulo powers of 2, they are considered as a class of these schemes. Because most of the early proposed ultra‐lightweight authentication protocols are easily broken, it turned out that designing such protocols is a much deeper task than presumed. This study analyzes a modified version of the stable lightweight mutual authentication protocol denoted by SLMAP*. After exploiting an unnoticed flaw in its design rationale, it is shown that some of the freshly produced variables can be assigned to different values for the reader and the tag that presumably causes a desynchronization vulnerability. Copyright © 2011 John Wiley & Sons, Ltd.
Hybrid Nanomotor: A Catalytically/Magnetically Powered Adaptive Nanowire Swimmer
Authors: Gao Wei , Manesh Kalayil Manian , Hua Joe , Sattayasamitsathit Sirilak , Wang Joseph 
Published: May 2011

AbstractA synthetic hybrid nanomotor, which combines chemically powered propulsion and magnetically driven locomotion, is described. The new catalytic–magnetic nanomotor consists of a flexible multisegment Pt‐Au‐Agflex‐Ni nanowire, with the Pt‐Au and Au‐Agflex‐Ni portions responsible for the catalytic and magnetic propulsion modes, respectively. The experimental data and theoretical considerations indicate that the hybrid design only minimally compromises the individual propulsion modes. Rapid and convenient switching from the catalytic to the magnetic mode is illustrated. The resulting catalytic–magnetic adaptive nanomotor can address the fuel depletion and salt limitation common to chemically powered motors by switching to magnetic propulsion. Reversal of the motion direction is also achieved upon applying the magnetic field. Such use of two sources to power a hybrid device offers a broader scope of operation and holds considerable promise for designing adaptive nanovehicles that reconfigure their operation in response to environmental changes or unexpected events.
One‐Step High‐Yield Aqueous Synthesis of Size‐Tunable Multispiked Gold Nanoparticles
Authors: Sau Tapan K. , Rogach Andrey L. , Döblinger Markus , Feldmann Jochen 
Published: May 2011

AbstractMultispiked gold nanoparticles are required in large quantities for many fundamental studies and applications like (bio)sensing, but their preparation in high yield by the bottom‐up chemical synthetic method is challenging. A water‐based, non‐‘seed‐mediated’, straightforward method for the synthesis of gold nanoparticles with well‐developed surface spikes is reported here. The yield of multispiked gold particles is very high (>90%). The method allows the tuning of the number and size of the spikes and the overall size of the particles, and hence the localized surface plasmon resonances of the particles over the broad spectral range in the visible and near‐infrared. A mechanism for the evolution of twinned, sharp‐tipped surface protrusions has been proposed based on systematic spectrophotometric and transmission electron microscopic studies, which were employed to elucidate the morphological features, structure, chemical composition, and optical properties of the multispiked gold nanoparticles.
Quantification of Uptake and Localization of Bovine Serum Albumin‐Stabilized Single‐Wall Carbon Nanotubes in Different Human Cell Types
Authors: Holt Brian D. , Dahl Kris Noel , Islam Mohammad F. 
Published: May 2011

AbstractSingle‐wall carbon nanotubes (SWCNTs) possess many unique, inherent properties that make them attractive materials for application in medical and biological technologies. Development of concentrated SWCNT dispersions of isolated nanotubes that retain SWCNTs' inherent properties with minimal negative cellular effects is essential to fully realize the potential of SWCNTs in biotechnology. It is shown that bovine serum albumin (BSA), a common and well‐characterized model blood serum protein, can individually disperse SWCNTs at concentrations of up to 0.3 mg mL−1 while retaining SWCNTs' optical properties. Uptake into human mesenchymal stem cells (hMSC) and HeLa cells is quantified, revealing strikingly high concentrations of 86 ± 33 × 106 and 21 ± 13 × 106 SWCNTs per cell, respectively, without any apparent acute deleterious cellular effects. Through high‐resolution confocal Raman spectroscopy and imaging, it is established that SWCNT–BSAs are preferentially localized intracellularly, especially in the cytoplasm of both hMSCs and HeLa cells. The uptake and localization results demonstrate the efficacy of BSA as a biocompatible dispersant and a mediator of bioactivity. BSA is widely available and inexpensive, which make these concentrated, highly‐dispersed, noncovalently modified SWCNT–BSAs suitable for the development of SWCNT‐based biotechnologies.
Self‐Aligned Sub‐10‐nm Nanogap Electrode Array for Large‐Scale Integration
Authors: Gao Pingqi , Zhang Qing , Li Hong , Chan‐Park Mary B. 
Published: May 2011

AbstractA novel approach to creating a gap on the nanometer scale between two adjacent electrodes of the same or different metals is described. The gap size can be well controlled through sidewall coverage in a self‐aligned manner and it can be tuned from 60 nm down to 5 nm with high reproducibility. This technique is fully compatible with traditional microfabrication technology and it is easily implemented to fabricate a nanogap electrode array for integration purposes. An array of short‐channel single‐walled carbon nanotube field‐effect transistors is demonstrated.
Effect of physico‐chemical properties of tropical starches and hydrocolloids on rice gels texture and noodles water retention ability
Authors: Qazi Ihsan Mabood , Kumar Rakshit Sudip , Tran Thierry 
Published: May 2011

AbstractThe links between the physico‐chemical properties of rice flour (RF), cassava (CS), sago (SS), canna (CaS), sweet potato (SPS), and mung bean (MS) starches, and the gelling properties of rice flour blends with these starches in different proportions (0, 20, 40, 60, 80, and 100% pure starches) and with xanthan (XG) and carrageenan (CG) gums were studied. Water retention ability of starches and hydrocolloids blends in noodle systems during drying at 40°C was also investigated. The mean granule diameter and AM content values of RF, CS, SPS, SS, CaS, and MS were in the range of 12.8–41.0 µm and 21.9–39.4%, respectively. Thermal properties showed significant differences (p < 0.05) between the starches in terms of gelatinization temperature and enthalpy, as well as retrogradation tendency. Different starches produced gels with a wide range of textural properties. Results confirmed the role of AM content in determining the gel strength, and indicated a possible role of retrogradation in increasing the dissipation of mechanical energy during compression and relaxation tests, which can have an effect on mouth feel. Blends of RF with other starches and hydrocolloids generally improved the characteristics of RF‐based gels, by increasing gel strength. In particular, the use of MS markedly increased the strength of RF‐based gels. Addition of hydrocolloids significantly reduced the drying rate of noodles, although overall water retention ability was reduced only to a limited extent. This may be used to produce starch‐based products, especially noodles, in a range of desired characteristics.
Activin/Nodal Signaling Controls Divergent Transcriptional Networks in Human Embryonic Stem Cells and in Endoderm Progenitors
Authors: Brown Stephanie , Teo Adrian , Pauklin Siim , Hannan Nicholas , Cho Candy H.-H. , Lim Bing , Vardy Leah , Dunn N. Ray , Trotter Matthew , Pedersen Roger , Vallier Ludovic 
Published: May 2011

Abstract
Activin/Nodal signaling is necessary to maintain pluripotency of human embryonic stem cells (hESCs) and to induce their differentiation toward endoderm. However, the mechanisms by which Activin/Nodal signaling achieves these opposite functions remain unclear. To unravel these mechanisms, we examined the transcriptional network controlled in hESCs by Smad2 and Smad3, which represent the direct effectors of Activin/Nodal signaling. These analyses reveal that Smad2/3 participate in the control of the core transcriptional network characterizing pluripotency, which includes Oct-4, Nanog, FoxD3, Dppa4, Tert, Myc, and UTF1. In addition, similar experiments performed on endoderm cells confirm that a broad part of the transcriptional network directing differentiation is downstream of Smad2/3. Therefore, Activin/Nodal signaling appears to control divergent transcriptional networks in hESCs and in endoderm. Importantly, we observed an overlap between the transcriptional network downstream of Nanog and Smad2/3 in hESCs; whereas, functional studies showed that both factors cooperate to control the expression of pluripotency genes. Therefore, the effect of Activin/Nodal signaling on pluripotency and differentiation could be dictated by tissue specific Smad2/3 partners such as Nanog, explaining the mechanisms by which signaling pathways can orchestrate divergent cell fate decisions.
Bone Marrow Stromal Cells Produce Long-Term Pain Relief in Rat Models of Persistent Pain
Authors: Guo Wei , Wang Hu , Zou Shiping , Gu Ming , Watanabe Mineo , Wei Feng , Dubner Ronald , Huang George T.-J. , Ren Ke 
Published: May 2011

AbstractChronic pain conditions are difficult to treat and are major health problems. Bone marrow stromal cells (BMSCs) have generated considerable interest as a candidate for cell-based therapy. BMSCs are readily accessible and are easy to isolate and expand ex vivo. Clinical studies show that direct injection of BMSCs does not produce unwanted side effects and is well tolerated and safe. Here, we show that a single systemic (intravenous) or local injection (into the lesion site) of rat primary BMSCs reversed pain hypersensitivity in rats after injury and that the effect lasted until the conclusion of the study at 22 weeks. The pain hypersensitivity was rekindled by naloxone hydrochloride, an opioid receptor antagonist that acts peripherally and centrally, when tested at 1–5 weeks after BMSC infusion. In contrast, naloxone methiodide, a peripherally acting opioid receptor antagonist, only rekindled hyperalgesia in the first 3 weeks of BMSC treatment. Focal downregulation of brainstem mu opioid receptors by RNA interference (RNAi) reversed the effect of BMSCs, when RNAi was introduced at 5- but not 1-week after BMSC transplantation. Thus, BMSCs produced long-term relief of pain and this effect involved activation of peripheral and central opioid receptors in distinct time domains. The findings prompt studies to elucidate the cellular mechanisms of the BMSC-induced pain relieving effect and translate these observations into clinical settings.
Association of fetal cranial shape with shoulder dystocia
Authors: Belfort M. A. , White G. L. , Vermeulen F. M. 
Published: May 2011

AbstractObjectiveTo evaluate whether fetal cranial shape is related to shoulder dystocia.MethodsWe compared shoulder dystocia cases (n = 18) with controls (normal vaginal deliveries, n = 18) in a retrospective matched‐pairs observational study. Subjects were matched for known maternal and fetal risk factors and then evaluated for fetal biometric differences, which were measured by ultrasound near delivery. We tested multivariable risk models to predict shoulder dystocia by logistic regression.ResultsCases had a smaller estimated occipitofrontal diameter (OFD) (P = 0.02) and a larger biparietal diameter/estimated OFD ratio (P = 0.003). A multivariable model including estimated fetal weight, estimated OFD, maternal weight and diabetes mellitus had sensitivity and specificity of 86% and 95%, respectively, and positive and negative likelihood ratios of 18.9 and 0.15, respectively. Estimated OFD significantly increased the predictive value of the model.ConclusionA small estimated OFD is a risk factor for shoulder dystocia in the presence of other significant risk factors. A multivariable model including estimated OFD can predict shoulder dystocia in a clinically useful range. Copyright © 2012 ISUOG. Published by John Wiley & Sons, Ltd.
Exploring the feasibility of low stabilization targets
Authors: Knopf Brigitte , Luderer Gunnar , Edenhofer Ottmar 
Published: May 2011

AbstractClimate change mitigation scenarios provide an integrated perspective on the technologies and policies that are required to achieve various mitigation targets as well as the related costs. With the threat of severe adverse impacts from climate change becoming more and more apparent and in view of the pledge by policy‐makers to meet stringent stabilization targets, further exploration of low emission scenarios has become increasingly relevant. Although much progress has been made in recent years to provide the basis for a solid assessment of different stabilization targets and the related economic, environmental, and social consequences, a more structured approach within a more realistic framework is required. First, uncertainties in baseline assumptions that are independent of climate policy need to be taken into account. These uncertainties reflect the incomplete knowledge concerning drivers of real‐world developments, e.g. assumptions on technology improvements or resource availability. In addition, it is necessary to analyze so‐called second‐best worlds in which constraints on the deployment of low‐carbon technologies or imperfect climate policy regimes render the mitigation effort more difficult. The current challenge for Integrated Assessment Modeling is thus to explore feasibility and limitations of mitigation strategies along three directions: (1) ambitious mitigation targets, (2) explicit treatment of uncertainties in baseline assumptions, and (3) second‐best policy or technology scenarios. With this article, we propose future research foci and priorities in the run‐up to the IPCC's Fifth Assessment Report. WIREs Clim Change 2011 2 617–626 DOI: 10.1002/wcc.124This article is categorized under:

The Carbon Economy and Climate Mitigation > Future of Global Energy
Fuzzy machine learning and data mininga
Authors: Hüllermeier Eyke 
Published: May 2011

AbstractThe development of methods for machine learning and data mining has attracted increasing attention in the fuzzy set community in recent years. The aim of this paper is to assess the relevance of fuzzy set theory and fuzzy logic for these fields, highlighting potential contributions without concealing alleged limitations and shortcomings of current research. To this end, some typical applications of fuzzy logic will be reviewed, followed by a more systematic discussion of possible benefits of fuzzy methods. © 2011 John Wiley & Sons, Inc. WIREs Data Mining Knowl Discov 2011 1 269–283 DOI: 10.1002/widm.34This article is categorized under:

Technologies > Computational Intelligence
Technologies > Machine Learning
Communicating about zoonotic disease: Strategic considerations for wildlife professionals
Authors: Decker Daniel J. , Siemer William F. , Wild Margaret A. , Castle Kevin T. , Wong David , Leong Kirsten M. , Evensen Darrick T. N. 
Published: May 2011

AbstractA set of interrelated social and environmental changes have accelerated the transmission of wildlife‐associated infectious diseases around the world. Emerging infectious disease (EID) events take a heavy toll on human health and have significant global economic impacts. In the risk‐averse society of the United States, EID events associated with wildlife, particularly zoonoses, have potential to diminish the value of wildlife for society, depress interest in wildlife‐related activities and decrease support for wildlife conservation. Messages about wildlife‐associated zoonotic diseases should promote human and animal health, while avoiding development of exaggerated risk perceptions that can have deleterious effects on participation in wildlife‐related outdoor activities or support for wildlife conservation. We outline 3 categories of negative consequences arising from current communication conditions with respect to zoonoses. We then describe key communication links that the wildlife profession needs to address to obviate these consequences. Finally, we propose a number of actions the wildlife professional community can take to improve communication about zoonotic diseases. In this regard, we discuss the One Health concept and other opportunities for interdisciplinary collaboration on communication between wildlife health, wildlife management, and public health professionals. We conclude that a foundation for effective communication about zoonotic diseases needs to be built on stronger interdisciplinary collaboration between the wildlife profession and the public health profession. Starting from a solid foundation of collaboration among wildlife veterinarians and wildlife biologists and managers, wildlife professionals should build strong bridges with the public health profession. We suggest that the latter can be spanned by wildlife veterinarians. © 2011 The Wildlife Society.
Zinc(II) and Mercury(II) Complexes of Pyrazole‐Based NNN‐Type Ligands: Syntheses, X‐ray Structures, Thermal Analyses and DFT Studies
Authors: Hopa Çiğdem , Kurtaran Raif , Azizoğlu Akın , Alkan Mahir , Arslan N. Burcu , Kazak Canan 
Published: May 2011

AbstractMonomeric zinc(II) and mercury(II) complexes containing tripodal nitrogen donor ligand 2,6‐bis(3,4,5‐trimethyl‐N‐pyrazolyl)pyridine (btmpp) were synthesized, and characterized by elemental and spectroscopic (IR, UV/Vis) analyses, TG‐DTA and single‐crystal X‐ray diffraction studies. X‐ray analyses of the complexes [Zn(btmpp)Cl2] (2) and [Hg(btmpp)(SCN)2] (3) showed that both structures crystallize in space group P21/c with a = 7.9722(6), b = 18.3084(13), c = 13.3117(9) Å and Z = 4 for 2 and a = 8.7830(3), b = 21.1489(7), c = 12.0682(4) Å and Z = 4 for 3. Both monomeric units contain pentacoordinate metal ions in distorted square‐pyramidal arrangement. The structures of complexes 2 and 3 were also computed with DFT methods at B3LYP/LanL2DZ level and are in good agreement with the experimental values obtained from X‐ray analysis. The NPa charge distributions, HOMO–LUMO gaps, and dipole moments for 1, 2, and 3 were also reported. Natural bond orbital analyses were performed to reveal local charges and charge transfers in 1, 2, and 3.