bluuebunny/crossref_metadata_2025_split huggingface dataset:
Methanol synthesis on ZnO from molecular dynamics
Authors: Frenzel Johannes , Kiss Janos , Nair Nisanth N. , Meyer Bernd , Marx Dominik 
Published: March 2013

AbstractThis paper reviews our efforts to simulate methanol synthesis from CO and H2 on defective ZnO surfaces using advanced molecular dynamics techniques. This apparently simple chemical reaction occurring on a seemingly well‐defined surface appears to be astonishingly complex. First of all, the preferred oxidation state of F centers at the polar oxygen terminated surface is found to be dictated by the chemical composition and the thermodynamic properties of the gas phase in contact with ${\rm ZnO}(000\overline {1} )$. Secondly, reaction intermediates and pathways along the catalytic cycle taking place at or close to these defects are found to depend in a sensitive way on their oxidation state. Thirdly, it is seen that the gas phase close to the catalytic surface might be transiently involved in some of the reaction steps in a non‐trivial manner. Last but not least, the scenario is found to be greatly enriched upon involving copper clusters on polar ZnO surfaces in view of utmost strong metal‐support interactions (SMSIs), which are directly related to the polar nature of ${\rm ZnO}(000\overline {1} )$. Taken together, an unexpectedly rich picture is unveiled by the molecular dynamics approach to computational heterogeneous catalysis when applied to methanol synthesis on bare ZnO.
Colloidal deposition as method to study the influence of the support on the activity of gold catalysts in CO‐oxidation
Authors: Schüth Ferdi 
Published: March 2013

AbstractThe strong influence of the support properties on the activity of gold catalysts has been observed in many publications. The most studied reaction in this respect seems to be CO‐oxidation, for which gold catalysts have outstanding activity. However, since in most studies the support properties are also important in influencing the nature of the gold particles deposited on them by co‐precipitation or deposition–precipitation, it is difficult to study the support effect alone. We have in a series of studies used colloidal impregnation of preformed gold particles approximately 3 nm in size on different supports in order to decouple the gold particle formation from the deposition process, in order to isolate the support effect. Even for such similarly prepared catalysts very strong differences between different supports were observed. The analysis of the data, also in the light of literature data, suggests that there is no unique factor explaining the high activity of gold catalysts, but rather a combination of effects, which act in different proportion for different catalysts.
Properties of manganite/ruthenate superlattices with ultrathin layers
Authors: Ziese Michael , Vrejoiu Ionela 
Published: March 2013

AbstractThe properties of manganite/ruthenate superlattices are reviewed with a specific focus on the manganite/ruthenate interface. La0.7Sr0.3MnO3/SrRuO3 and Pr0.7Ca0.3MnO3/SrRuO3 superlattices grow with a high crystalline perfection as illustrated in the figure to the right: at the interface the individual cation species can be clearly identified, interdiffusion is marginal. The superlattices show magnetization processes with an intricate interplay between magnetocrystalline anisotropy, size of the layer magnetization, spin confinement and interfacial antiferromagnetic interlayer coupling. There is further an unprecedented Curie temperature stabilization at room temperature values of the La0.7Sr0.3MnO3 layers in the superlattices down to layer thicknesses of one unit cell. The magnetotransport properties, especially the Hall effect, indicate the existence of a quasi‐two‐dimensional hole gas at the La0.7Sr0.3MnO3/SrRuO3 interface; this is further supported by an analysis of cation displacements as determined from scanning transmission electron microscopy. The manganite/ruthenate interface might be considered as a model system for the study of interfacial reconstruction and charge transfer in a highly correlated ferromagnetic system.magnified imageHAADF‐STEM micrograph of two La0.7Sr0.3MnO3/SrRuO3 interfaces in a superlattice with four unit cell thick La0.7Sr0.3MnO3 and eight unit cell thick SrRuO3 layers. The spheres indicate the cations as determined from the Z‐contrast.(© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Aligned Carbon Nanotubes for High‐Efficiency Schottky Solar Cells
Authors: Di Jiangtao , Yong Zhenzhong , Zheng Xinhe , Sun Baoquan , Li Qingwen 
Published: March 2013

AbstractThe development of low‐cost and high‐efficiency silicon Schottky solar cells has drawn considerable interest in recent years. A facial approach for the fabrication of carbon nanotube–silicon (CNT–Si) Schottky solar cells by using aligned double‐walled CNTs drawn from a CNT array is demonstrated. The aligned CNTs help to form high CNT–Si junction density and provide efficient charge‐transport paths. The power conversion efficiency (PCE) reaches 10.5%, which is higher than that of solar cells fabricated using pristine and random CNT networks. Furthermore, the cell fabrication is scalable, and the solar cells fabricated in one batch show very small PCE fluctuations.
Model‐driven physical‐design automation for FPGAs: fast prototyping and legacy reuse
Authors: Teodorov Ciprian , Lagadec Loïc 
Published: March 2013

SUMMARYThe current integrated circuit technologies are approaching their physical limits in terms of scaling and power consumption, in this context, the electronic design automation (EDA) industry is pushed towards solving ever more challenging problems in terms of performance, scalability and adaptability. Meeting these constraints needs innovation at both the algorithmic and the methodological level. Amongst academic EDA tools, Madeo toolkit has been targeting field‐programmable gate array (FPGA) design‐automation at the logic and the physical level since the late 1990s. As many other long‐living software, despite embedding valuable legacy, Madeo exhibits unwanted characteristics that penalize evolution and render the automation problems even more difficult. This study presents a methodological approach to physical‐design automation relying on model‐driven engineering, which is illustrated through the incremental redesign of the Madeo framework. A benefit of this approach is the emergence of a common vocabulary to describe the EDA domain in an FPGA scope. A second advantage is the isolation of the optimization algorithms from the structural domain models. However, the main asset is the possibility to re‐inject into the newly designed toolkit most of the legacy code. The redesigned framework is compared with and scored against initial code‐base, and demonstrates a regression‐free remodeling of the environment with net improvements in terms of size and complexity metrics. As a consequence, the evolution capability is back on stage, and the domain‐space exploration widens to the algorithmic axis. Copyright © 2013 John Wiley & Sons, Ltd.
Automatic reaction mapping and reaction center detection
Authors: Chen William Lingran , Chen David Z. , Taylor Keith T. 
Published: March 2013

AbstractA reaction center is the part of a chemical reaction that undergoes changes, the heart of the chemical reaction. The reaction atom–atom mapping indicates which reactant atom becomes which product atom during the reaction. Automatic reaction mapping and reaction center detection are of great importance in many applications, such as developing chemical and biochemical reaction databases and studying reaction mechanisms. Traditional reaction mapping algorithms are either based on extended‐connectivity or maximum common substructure (MCS) algorithms. With the development of several biochemical reaction databases (such as KEGG database) and increasing interest in studying metabolic pathways in recent years, several novel reaction mapping algorithms have been developed to serve the new needs. Most of the new algorithms are optimization based, designed to find optimal mappings with the minimum number of broken and formed bonds. Some algorithms also incorporate the chemical knowledge into the searching process in the form of bond weights. Some new algorithms showed better accuracy and performance than the MCS‐based method.WIREs Comput Mol Sci2013, 3:560–593. doi: 10.1002/wcms.1140This article is categorized under:Computer and Information Science > Chemoinformatics
Un-twisting the NHEK with spectral flows
Authors: Bena Iosif , Guica Monica , Song Wei 
Published: March 2013

AbstractWe show that the six-dimensional uplift of the five-dimensional Near-Horizon-Extremal-Kerr (NHEK) spacetime can be obtained from anAdS3×S3solution by a sequence of supergravity — but not string theory — dualities. We present three ways of viewing these pseudo-dualities: as a series of transformations in the STU model, as a combination of Melvin twists and T-dualities and, finally, as a sequence of two generalized spectral flows and a coordinate transformation. We then use these to find an infinite family of asymptotically flat embeddings of NHEK spacetimes in string theory, parameterized by the arbitrary values of the moduli at infinity. Our construction reveals the existence of non-perturbative deformations of asymptotically-NHEK spacetimes, which correspond to the bubbling of nontrivial cycles wrapped by flux, and paves the way for finding a microscopic field theory dual to NHEK which involves Melvin twists of the D1-D5 gauge theory. Our analysis also clarifies the meaning of the generalized spectral flow solution-generating techniques that have been recently employed in the literature.
Total Tumor Volume Is a Better Marker of Tumor Burden in Hepatocellular Carcinoma Defined by the Milan Criteria
Authors: Lee Yun‐Hsuan , Hsia Cheng‐Yuan , Hsu Chia‐Yang , Huang Yi‐Hsiang , Lin Han‐Chieh , Huo Teh‐Ia 
Published: March 2013

AbstractBackgroundThe Milan criteria are used to define small hepatocellular carcinoma (HCC) and to select patients for curative treatments. Total tumor volume (TTV) is an alternative parameter for tumor burden. We aimed to evaluate whether TTV is a feasible prognostic marker in HCC patients with upper boundary TTV of 65.5 cm3, which is equivalent to a single 5 cm tumor nodule defined by the Milan criteria.MethodsA total of 774 HCC patients with TTV <65.5 cm3 receiving surgical resection, liver transplantation, or radiofrequency ablation (RFA) as the primary treatment were retrospectively analyzed.ResultsOf these patients, 50 (6.5 %) did not fulfill the Milan criteria. Patients beyond the Milan criteria more often had larger tumor size and TTV, as well as more tumor nodules (p values all <0.01). There was no significant survival difference between patients within and beyond the Milan criteria (p = 0.205). Patients with TTV >15 cm3 had a significantly poorer survival than patients with TTV <15 cm3 (p = 0.007). There was no survival difference between patients receiving surgical treatments versus RFA (p = 0.932). In the Cox proportional hazards model, TTV >15 cm3 [risk ratio (RR): 1.474, p = 0.005], serum bilirubin ≥1.5 mg/dL (RR: 1.663, p = 0.003), serum sodium <135 mmol/L (RR: 2.016, p = 0.01), and α‐fetoprotein (AFP) ≥100 ng/mL (RR: 1.37, p = 0.033) were independent predictors of poor prognosis.ConclusionsTotal tumor volume, is an independent and better prognostic marker than the Milan criteria to indicate tumor burden in HCC patients who had tumor volume defined by the Milan criteria and underwent curative therapies.
Preoperative Carcinoembryonic Antigen Level Predicts Prognosis in Patients with Pseudomyxoma Peritonei Treated with Cytoreductive Surgery and Hyperthermic Intraperitoneal Chemotherapy
Authors: Canbay Emel , Ishibashi Haruaki , Sako Shouzou , Mizumoto Akiyoshi , Hirano Masamitsu , Ichinose Masumi , Takao Nobuyuki , Yonemura Yutaka 
Published: March 2013

AbstractBackgroundEven though management of pseudomyxoma peritonei (PMP) was improved with cytoreductive surgery (CRS) and hyperthermic chemotherapy (HIPEC), several aspects of PMP still need to be optimized, including patient selection for surgery and prognostic factors. We assessed the role of preoperative carcinoembryonic antigen (CEA) levels in PMP patients treated with CRS and HIPEC.MethodsA total of 449 PMP patients with documented preoperative CEA levels referred to our center between 2005 and 2011 underwent CRS and HIPEC. The association between CEA levels and characteristics of patients with PMP was assessed withχ2test, linear correlation, and logistic regression analyses. Survival analysis was performed with Cox proportional hazard model.ResultsMedian age was 55 (range 19–84) years. There were 245 (54.5 %) females and 204 (45.5 %) males. Preoperative CEA levels were elevated in 328 (73 %, sensitivity) patients with PMP. Preoperative CEA levels were also related to peritoneal cancer index (P< 0.0001), cytoreductive surgery scores (P< 0.0001), progress free survival (P< 0.001) and overall survival (P< 0.001) in patients with PMP.ConclusionsOur results indicated that preoperative CEA levels are useful in predicting the extent of disease and surgical success as well as progress‐free and overall survival in patients with PMP treated with cytoreductive surgery and HIPEC.
Micellization Studies of Dicationic Gemini Surfactants (m‐2‐m Type) in the Presence of Various Counter‐ and Co‐Ions
Authors: Aslam Jeenat , Siddiqui Umme Salma , Ansari Wajid Husain , Kabir‐ud‐Din  
Published: March 2013

AbstractSalts have the ability to influence the water activity and self‐association of ionic micelles. In the present case, gemini surfactants; ethanediyl‐α,ω‐bis(dimethyl alkyl ammonium bromide) (referred to as m‐2‐m, m = 10, 12, 14) are synthesized and their micellization study in aqueous medium in presence of monovalent inorganic (NaBr, NaNO3, NaCl, KCl, LiCl) and organic salts (NaTos, NaBenz, NaSal) at 303 K is systematically investigated by conductometric and tensiometric methods. All the salts have the tendency to lower the critical micelle concentration of the surfactants. The effect of inorganic salts on the micellization properties has been found to obey the Hofmeister series. Organic salts reduce the CMC more effectively as compared to inorganic salts. The theoretical models of Rubingh and Rosen have been used to compare the results and obtain the interaction parameters, minimum area per molecule, surface excess, mixed micelle composition, activity coefficients and free energies of micellization/adsorption.
Functional validation of putative tumor suppressor gene C13ORF18 in cervical cancer by Artificial Transcription Factors
Authors: Huisman Christian , Wisman G. Bea A. , Kazemier Hinke G. , van Vugt Marcel A.T.M. , van der Zee Ate G.J. , Schuuring Ed , Rots Marianne G. 
Published: March 2013

C13ORF18 is frequently hypermethylated in cervical cancer but not in normal cervix and might serve as a biomarker for the early detection of cervical cancer in scrapings. As hypermethylation is often observed for silenced tumor suppressor genes (TSGs), hypermethylated biomarker genes might exhibit tumor suppressive activities upon re‐expression. Epigenetic drugs are successfully exploited to reverse TSG silencing, but act genome‐wide. Artificial Transcription Factors (ATFs) provide a gene‐specific approach for re‐expression of silenced genes. Here, we investigated the potential tumor suppressive role of C13ORF18 in cervical cancer by ATF‐induced re‐expression.Five zinc finger proteins were engineered to bind the C13ORF18 promoter and fused to a strong transcriptional activator. C13ORF18 expression could be induced in cervical cell lines: ranging from >40‐fold in positive (C13ORF18‐unmethylated) cells to >110‐fold in negative (C13ORF18‐methylated) cells. Re‐activation of C13ORF18 resulted in significant cell growth inhibition and/or induction of apoptosis. Co‐treatment of cell lines with ATFs and epigenetic drugs further enhanced the ATF‐induced effects. Interestingly, re‐activation of C13ORF18 led to partial demethylation of the C13ORF18 promoter and decreased repressive histone methylation. These data demonstrate the potency of ATFs to re‐express and potentially demethylate hypermethylated silenced genes. Concluding, we show that C13ORF18 has a TSG function in cervical cancer and may serve as a therapeutic anti‐cancer target. As the amount of epimutations in cancer exceeds the number of gene mutations, ATFs provide promising tools to validate hypermethylated marker genes as therapeutic targets.
Module categories for group algebras over commutative rings
Authors: Benson Dave , Iyengar Srikanth B. , Krause Henning 
Published: March 2013

AbstractWe develop a suitable version of the stable module category of a finite group G over an arbitrary commutative ring k. The purpose of the construction is to produce a compactly generated triangulated category whose compact objects are the finitely presented kG-modules. The main idea is to form a localisation of the usual version of the stable module category with respect to the filtered colimits of weakly injective modules. There is also an analogous version of the homotopy category of weakly injective kG-modules and a recollement relating the stable category, the homotopy category, and the derived category of kG-modules.
The Bursa–Gönen Depression, NW Turkey: a complex basin developed on the North Anatolian Fault
Authors: SELİM H. HALUK , TÜYSÜZ OKAN 
Published: March 2013

AbstractIn this study, we show that the southern branch of the North Anatolian Fault has been active since Late Pliocene time and that evidence of activity is supported by geological and seismological data. The southern branch of the North Anatolian Fault consists of four segments from west to east: Yenice–Gönen, Manyas–Mustafakemalpaşa, Uluabat and Bursa. These faults delimit the Bursa–Gönen Depression, with the Bandırma–Mudanya Uplift to the north and Uludağ–Sularya Uplift to the south. The Bursa–Gönen Depression includes Upper Pliocene to Recent sediments that thicken to the south, suggesting a deposition pattern under active fault control. Study of fault kinematics suggests that the Bursa–Gönen Depression started as a small pull-apart basin during Late Pliocene time, and then evolved to a large depression. The faults delimiting this depression are still active and capable of producing future earthquakes.
The Seduction of Revolution: Anticlerical Campaigns against Confession in Mexico, 1914–1935
Authors: FALLAW BEN 
Published: March 2013

AbstractDuring the Mexican Revolution, male revolutionaries in Mexico repeatedly tried to suppress confession by invoking the trope of the sexually predatory priest menacing weak, superstitious women. Campaigns against the rite resulted from long-standing gender divisions over the Church, fears of Catholic counter-revolution, and male revolutionaries' drive to modernise marriage as companionate and secular but still patriarchal. Although ultimately unsuccessful as policy, attacks on the confession strengthened radical anticlericalism. By equating masculinity with reason, nation and progress while painting femininity as vulnerable, fanatical and potentially treasonous, the campaigns subtly shaped gender roles and helped to consolidate post-revolutionary patriarchy.
Increased risk of prostate cancer following sexually transmitted infection in an Asian population
Authors: CHUNG S. D. , LIN Y. K. , HUANG C. C. , LIN H. C. 
Published: March 2013

SUMMARYThe relationship between sexually transmitted infections (STIs) and prostate cancer (PC) remains inconclusive. Moreover, all such studies to date have been conducted in Western populations. This study aimed to investigate the risk of PC following STI using a population-based matched-cohort design in Taiwan. The study cohort comprised 1055 patients with STIs, and 10 550 randomly selected subjects were used as a comparison cohort. Cox proportional hazards regression analysis revealed that the hazard ratio for PC during the 5-year follow-up period for patients with a STI was 1·95 (95% confidence interval 1·18–3·23), that of comparison subjects after adjusting for urbanization level, geographical region, monthly income, hypertension, diabetes, hyperlipidaemia, obesity, chronic prostatitis, history of vasectomy, tobacco use disorder, and alcohol abuse. We concluded that the risk of PC was higher for men who were diagnosed with a STI in an Asian population.
Advances in critical care for the older patient
Authors: Monkhouse Diane 
Published: March 2013

SummaryAs the proportion of elderly people in the general population increases, so does the number admitted to critical care. In caring for an older patient, the intensivist has to balance the complexities of an acute illness, pre-existing co-morbidities and patient preference for life-sustaining treatment with the chances of survival, quality of life after critical illness and rationing of expensive, limited resources. This remains one of the most challenging areas of critical care practice.
The role of nitric oxide in priming-induced low-temperature tolerance in two genotypes of tomato
Authors: Amooaghaie Rayhaneh , Nikzad Khorshid 
Published: March 2013

AbstractThe present study was conducted to evaluate the contribution of nitric oxide (NO) to the priming effects on seed germination, seedling vigour and low-temperature tolerance of two tomato cultivars (Solanum lycopersicum, cv. Cherry and Falcato) under four different constant temperatures (10, 15, 20 and 25°C). Treatments included priming in a polyethylene glycol 6000 (PEG 6000) solution (osmopriming) or presoaking in sodium nitroprusside (SNP) solution, a donor of NO, for 24 h at 25°C. Suboptimal temperatures reduced seed germination and subsequent seedling growth, as well as amylase activity, in both cultivars, but Falcato was more sensitive to low temperature than Cherry. Both osmopriming and SNP treatments enhanced germination capacity, germination index, seedling root and shoot length, α- and β-amylase activities and sugar content under suboptimal temperatures, especially in Falcato. We observed similarities between the modes of action of the two priming treatments. Both treatments increased seed NO content, whereas their positive effects on germination and subsequent seedling growth under low-temperature stress was reversed by the addition of methylene blue (MB), a scavenger of NO. This is the first report that suggests that positive effects of priming are most likely mediated through NO signalling.
Automatic Processing of Duration in Children with Attention-Deficit/Hyperactivity Disorder
Authors: Gomes Hilary , Duff Martin , Flores Adrianne , Halperin Jeffrey M. 
Published: March 2013

AbstractIndividuals with attention-deficit/hyperactivity disorder (ADHD) often exhibit deficits in processing information about time. Most studies, however, have required participants to perform active tasks and consequently it is unclear if performance deficits are due to impaired processing of temporal information, attentional deficits, or to impairments at a later stage of decision-making. This study used mismatch negativity (MMN) to examine automatic processing of temporal information in children with ADHD. The sample consisted of 11 children with typical development (8 boys; mean age/SD= 9.3/0.6 years) and 12 with ADHD (10 boys; mean age/SD= 8.9/0.8 years). Using the MMN paradigm, responses to standards and four deviants (hard/easy frequency, hard/easy duration) were elicited during the same sequence. The children's ability to actively discriminate each deviant was also assessed. Both groups exhibited MMNs to all deviants suggesting successful automatic discrimination. Furthermore, amplitude and latency measures were roughly comparable across groups. No group differences were seen on the active discrimination task, but performance was worse for duration than for frequency deviants. These results suggest that children with ADHD are able to automatically process temporal information, so deficits reported in active discrimination paradigms are likely due to deficits in subjective perception or usage of temporal information. (JINS, 2013,19, 1–9)