bluuebunny/crossref_metadata_2025_split huggingface dataset:
KRAS and GNAS mutations and p53 overexpression in biliary intraepithelial neoplasia and intrahepatic cholangiocarcinomas
Authors: Hsu Maylee , Sasaki Motoko , Igarashi Saya , Sato Yasunori , Nakanuma Yasuni 
Published: January 2013

AbstractBACKGROUND:Similar to the pancreatic intraepithelial neoplasia (PanIN)‐pancreatic carcinoma sequence model, intrahepatic cholangiocarcinoma (ICC) also reportedly follows a stepwise carcinogenesis process through the a precursor lesion: biliary intraepithelial neoplasia (BilIN). For this study, the authors investigated the status of v‐Ki‐ras2 Kirsten rat sarcoma viral oncogene homolog (KRAS) and GNAS complex locus (GNAS) mutations and tumor protein 53 (p53) overexpression in the stepwise process of cholangiocarcinogenesis.METHODS:Thirty patients with hepatolithiasis were surveyed, and their lesions were categorized as follows: non‐neoplastic large bile duct (LBD) (n = 12), peribiliary gland (PBG) (n = 9), BilIN‐1 (low‐grade dysplasia; n = 12), BilIN‐2 (high‐grade dysplasia; n = 16), and BilIN‐3 (noninvasive or in situ carcinoma; n = 10). KRAS mutation at codons 12 and 13 and GNAS mutations at codons 601 and 602 were analyzed using genomic DNA extracted from isolated lesions by laser capture microdissection. Immunohistochemical expression of p53 also was evaluated in BilIN lesions, ICCs, and extrahepatic cholangiocarcinomas (ExCCs).RESULTS:A prevalence of KRAS mutations was identified in patients with ICC (31.5%), BilIN‐3 (30%), and BilIN‐2 (43.8%) compared with BilIN‐1 (25%). Furthermore, KRAS mutations were detected in LBD lesions (41.7%) and PBG lesions (44.4%), and these mutations were observed with greater frequency in patients who had BilIN with KRAS mutations. GNAS mutations were not identified in any of the ICCs or other lesions examined. The overexpression of p53 was not identified in BilIN lesions and was less frequent in ICCs (18.2%) compared with ExCCs (38.1%) and gallbladder carcinomas (61.5%).CONCLUSIONS:KRAS mutations, which were present in approximately 33% of BilIN lesions, occurred as an early molecular event during the progression of BilIN to ICC, whereas p53 overexpression was identified as a late molecular event. Furthermore, the current results indicted that BilIN also may arise from LBD and PBG lesions in patients who have hepatolithiasis with KRAS mutations. Cancer 2013. © 2013 American Cancer Society.
A scalable Helmholtz solver in GRAPES over large‐scale multicore cluster
Authors: Li Linfeng , Xue Wei , Ranjan Rajiv , Jin Zhiyan 
Published: January 2013

SUMMARYThis paper discusses performance optimization on the dynamical core of global numerical weather prediction model in Global/Regional Assimilation and Prediction System (GRAPES). GRAPES is a new generation of numerical weather prediction system developed and currently used by Chinese Meteorology Administration. The computational performance of the dynamical core in GRAPES relies on the efficient solution of three‐dimensional Helmholtz equations, which lead to large‐scale and sparse linear systems formulated by the discretization in space and time. We choose generalized conjugate residual (GCR) algorithm to solve the corresponding linear systems and further propose algorithm optimizations for large‐scale parallelism in two aspects: (i) reduction of iteration number for solution and (ii) performance enhancement of each GCR iteration. The reduction of iteration number is achieved by advanced preconditioning techniques, combining block incomplete LU factorization‐k preconditioner over 7‐diagonals of the coefficient matrix with the restricted additive Schwarz method effectively . The improvement for GCR iteration is to reduce the global communication operations by refactoring the GCR algorithm, which decreases the communication overhead over large number of cores. Performance evaluation on the Tianhe‐1A system shows that the new preconditioning techniques reduce almost one‐third iterations for solving the linear systems, the proposed methods can obtain 25% performance improvement on average compared with the original version of Helmholtz solver in GRAPES, and the speedup with our algorithms can reach 10 using 2048 cores compared with 256 cores. Copyright © 2013 John Wiley & Sons, Ltd.
Interactions of Aromatic Radicals with Water
Authors: Crespo‐Otero Rachel , Bravo‐Rodriguez Kenny , Roy Saonli , Benighaus Tobias , Thiel Walter , Sander Wolfram , Sánchez‐García Elsa 
Published: January 2013

AbstractThe interactions of the benzyl radical (1), the anilinyl radical (2), and the phenoxyl radical (3) with water are investigated using density functional theory (DFT). In addition, we report dispersion‐corrected DFT‐D molecular dynamics simulations on these three systems and a matrix isolation study on 1–water. The radicals 1–3 form an interesting series with the number of lone pairs increasing from none to two. The anilinyl and benzyl radicals can act as Lewis base through their unpaired electrons, the lone pairs of the heteroatoms, or the doubly occupied π orbitals of the aromatic system. Matrix isolation experiments provide evidence for the formation of a π complex between 1 and water. By combining computational and experimental techniques we identify the possible interactions between the aromatic radicals 1–3 and water, predict the structure and vibrational spectra of the resulting complexes, and analyze the effects of substitution and temperature.
Discovery of the Heaviest Elements
Authors: Heßberger Fritz P. 
Published: January 2013

AbstractThe search for new superheavy elements (SHEs) is at present one of the most exciting adventures in nuclear physics. Thanks to enhanced experimental techniques, the synthesis of elements Z=113 to 118 in reactions using 48Ca projectiles and targets made of isotopes of the elements neptunium to californium has been claimed. Discovery of the elements Z=114 (named flerovium) and Z=116 (named livermorium) has been accepted by the IUPAC. The others are waiting. The situation for element 113 is particular; here claims on discovery come from groups from RIKEN, Wako, Saitama, Japan and FLNR‐JINR, Dubna, Russia.
Direct Growth of Fe2V4O13 Nanoribbons on a Stainless‐Steel Mesh for Visible‐Light Photoreduction of CO2 into Renewable Hydrocarbon Fuel and Degradation of Gaseous Isopropyl Alcohol
Authors: Li Ping , Zhou Yong , Tu Wenguang , Liu Qi , Yan Shicheng , Zou Zhigang 
Published: January 2013

AbstractOne‐dimensional Fe2V4O13 nanoribbons 10–20 μm long and 20–30 nm thick growing directly on a stainless‐steel mesh (SSM) have been successfully obtained by a simple and facile hydrothermal reaction without any templates or surfactants. The SSM served as not only the Fe source but also the substrate for the deposition of vanadium and oxide elements. The Fe2V4O13 nanoribbon as an easily reused photocatalyst shows great potential for the efficient photoreduction of CO2 into renewable hydrocarbon fuel (CH4) and for the removal of organics from air under visible‐light illumination.
Chitin Nanowhisker Aerogels
Authors: Heath Lindy , Zhu Lifan , Thielemans Wim 
Published: January 2013

AbstractChitin nanowhiskers are structured into mesoporous aerogels by using the same benign process used previously in our group to make cellulose nanowhisker aerogels. The nanowhiskers are sonicated in water to form a hydrogel before solvent‐exchange with ethanol and drying under supercritical CO2 (scCO2). Aerogels are prepared with various densities and porosities, relating directly to the initial chitin nanowhisker content. scCO2 drying enables the mesoporous network structure to be retained as well as allowing the gel to retain its initial dimensions. The chitin aerogels have low densities (0.043–0.113 g cm−3), high porosities (up to 97 %), surface areas of up to 261 m2 g−1, and mechanical properties at the high end of other reported values (modulus between 7 and 9.3 MPa). The aerogels were further characterized by using X‐ray diffraction, BET analysis, electron microscopy, FTIR, and thermogravimetric analysis. Characterization showed that the rod‐like crystalline nature of the nanowhiskers was retained during the aerogel production process, making the aerogel truly an assembled structure of chitin nanocrystals. These aerogels also showed the lowest reported shrinkage during drying to date, with an average shrinkage of only 4 %.
Theoretical Perspectives on Redox “Non‐Innocent” Oxazolidine N‐Oxide Iron Nitroxide Complexes
Authors: Tewary Subrata , Gass Ian A. , Murray Keith S. , Rajaraman Gopalan 
Published: January 2013

AbstractOne‐electron redox processes in ligands that exhibit non‐innocent behaviour invariably leads to the generation of radical species, which, when coupled with redox‐active metal centres, can lead to strong magnetic exchange, ambiguous electronic structures and even spin crossover (SCO). We have chosen two iron complexes [FeII(L·)2](BF4)2 (1) and [FeIII(L–)2](BPh4) (2) [with L· = 4‐dimethyl‐2,2‐di(2‐pyridyl)oxazolidine N‐oxide] as the basis for an extensive theoretical study to determine the influence and interplay of the strong magnetic exchange, the redox non‐innocent behaviour and any possible spin transitions. A series of calculations established the low‐spin character of the Fe in both the complexes and gave us valuable insight into the electronic structure of 1 and 2 along with their one‐ and two‐electron reduced species. An attempt has been made to relate the bonding features to the energy difference between different spin states and to the influence of the exchange coupling on any possible SCO properties.
Magnetic Relaxation in TbIII Magnetic Chains with Nitronyl Nitroxide Radical Bridges That Undergo 3D Antiferromagnetic Ordering
Authors: Tian Haixia , Wang Xiufeng , Mei Xuelan , Liu Ruina , Zhu Mei , Zhang Congming , Ma Yue , Li Licun , Liao Daizheng 
Published: January 2013

AbstractTwo new one‐dimensional nitronyl nitroxide radical–LnIII chain complexes, [Gd(hfac)3(NIT‐I)] (1) and [Tb(hfac)3(NIT‐I)] (2) (hfac = hexafluoroacetylacetonate; NIT‐I = 2‐iodo‐4,4,5,5‐tetramethylimidazoline‐1‐oxyl 3‐oxide), have been synthesized. Both complexes have linear chain structures in which the NIT‐I radical ligands link the Ln(hfac)3 units through the oxygen atoms of the nitronyl nitroxide groups. Direct‐current magnetic studies show that the Gd complex is paramagnetic above 2.0 K, whereas the Tb complex exhibits 3D antiferromagnetic ordering with TN = 4.0 K. Furthermore, complex 2 possesses frequency‐dependent ac magnetic susceptibilities, which suggests slow magnetic relaxation.
Making Carbon–Chlorine Bonds by Dipalladium Electrocatalysis
Authors: Durrell Alec C. , Jackson Megan N. , Hazari Nilay , Gray Harry B. 
Published: January 2013

Abstract[(Benzo[h]quinolinyl)PdII(μ‐OAc)]2 and [(2‐phenylpyridinyl)PdII(μ‐OAc)]2 undergo one‐electron oxidation to afford mixed‐valent (PdII–PdIII) species. Electrochemical oxidation of the PdII–PdII complexes in the presence of chloride at the PdIII–PdII/PdII–PdII potential results in a two‐electron loss with addition of two chlorides to form [(benzo[h]quinolinyl)PdIIICl(μ‐OAc)]2 and [(2‐phenylpyridinyl)PdIIICl(μ‐OAc)]2, respectively. When both excess benzo[h]quinoline and chloride are present, [(benzo[h]quinolinyl)PdII(μ‐OAc)]2 electrocatalyzes the chlorination of the substrate to afford 10‐chlorobenzo[h]quinoline with high chemical and Faradaic yields.
Lipase‐catalyzed synthesis of secondary glucose esters under continuous flow conditions
Authors: Ruela Halliny S. , Sutili Felipe K. , Leal Ivana C. R. , Carvalho Nakédia M. F. , Miranda Leandro S. M. , de Souza Rodrigo O. M. A. 
Published: January 2013

AbstractChemical methods for the synthesis of sugar esters require the use of high temperatures in the presence of alkaline catalysts resulting in undesirable by‐products and low regiosselectivity. Sugar‐based fatty acid esters are non‐ionic, biodegradable, odorless, non‐irritating, non‐toxic surfactants widely used pharmaceuticals, cosmetics, detergents, and food industry. Here in we report our results on enzymatic esterification of protected glucose (glucose ketal) with several fatty acids using the immobilized lipase from Rhizomucor miehei under batch and continuous flow conditions, to afford new glucose derivatives with potential surfactant properties. The results presented here shows that high conversions can be obtained in short reaction time.Practical application: The research of new non‐toxic, environmentally friendly and biodegradable surfactants to replace chemicals has increased along with the development of green chemistry. Nonionic biosurfactants, such as sugar fatty acid esters, may be obtained by enzymatic synthesis, a simple manufacturing method for application in several areas, including food, cosmetic, detergent, and pharmaceutical industry. In this work we have described the uncommon esterification of a steric hindered secondary hydroxyl group on glucose ketal leading to new glucose derivatives with potential application as surfactants.
Examining oil and gas policy in President Obama's second term
Authors: Orford Adam , Till Dustin , Timmons Daniel 
Published: January 2013

AbstractPresident Obama has described his energy policy as “all of the above.” His opponents have called it “picking winners and losers.” In practice, it has been driven by two major changes in the nation's energy landscape: a boom in private domestic oil and natural gas production, and concerted federal promotion of renewable energy development. This article focuses on the oil and gas industry. Specifically, it looks at expected policy changes that will redefine how oil and gas drilling practices are regulated under federal environmental laws, as well as the impact of increased oil and gas production in driving new infrastructure and facilities proposals needed to deliver these energy resources to market. Finally, the article discusses the tension between two stated policies of the Obama administration: fighting climate change by reducing greenhouse gas emissions and increasing oil and gas production to promote economic growth and energy independence.
Public relations: Improving industry communication by analyzing other industries
Authors: McClure Theresa , Siedschlag Emily 
Published: January 2013

AbstractCorridor fatigue, property value negotiations, and the typical NIMBY sentiment are no strangers to the oil and gas industry. Progress comes through large and small projects across the nation among all industries. New roadways, wind farms, high‐voltage transmission, and pipelines are all facing development challenges at the federal, state, and local levels. The hurdles faced in the oil and gas industry are parallel to those in other energy industries. Social approval of projects is becoming a deal‐breaker for a growing number of energy projects.
Litigation: “A deal is a deal,” says the fifth circuit
Authors: Sabino Michael A. 
Published: January 2013

AbstractNot long ago, while suffering through Contracts in my first year of law school, I questioned my attorney‐father about what it takes to create a final, enforceable contract in a business setting. Dear old dad then regaled me with the epic story of the Pennzoil‐Texaco litigation from his younger days, when the former obtained a $10 billion judgment against the latter after a Texas jury found Texaco guilty of stealing away Getty Oil from Pennzoil after Pennzoil had taken substantial and definitive steps to put into writing an agreement to merge. In so many words, the drama of Pennzoil v. Texaco (as further dramatized in Texaco's gargantuan Chapter 11 bankruptcy) exemplified that “a deal is a deal,” especially when it has been fully or substantially executed in a written, signed agreement.
Energy and the environment: Talk is cheap: The UN's Doha conference strikes out … again
Authors: Lesser Jonathan A. 
Published: January 2013

AbstractLast November, 10,000 delegates converged on Doha, Qatar, for the United Nations' annual conference on global warming/climate change/climate volatility. The Framework Convention on Climate Change is actually the 18th such UN conference, and proved to be as productive as the previous 17.
Application of distributed hydrological models for predictions in ungauged basins: a method to quantify predictive uncertainty
Authors: Cibin R. , Athira P. , Sudheer K. P. , Chaubey I. 
Published: January 2013

AbstractStream flow predictions in ungauged basins are one of the most challenging tasks in surface water hydrology because of nonavailability of data and system heterogeneity. This study proposes a method to quantify stream flow predictive uncertainty of distributed hydrologic models for ungauged basins. The method is based on the concepts of deriving probability distribution of model's sensitive parameters by using measured data from a gauged basin and transferring the distribution to hydrologically similar ungauged basins for stream flow predictions. A Monte Carlo simulation of the hydrologic model using sampled parameter sets with assumed probability distribution is conducted. The posterior probability distributions of the sensitive parameters are then computed using a Bayesian approach. In addition, preselected threshold values of likelihood measure of simulations are employed for sizing the parameter range, which helps reduce the predictive uncertainty. The proposed method is illustrated through two case studies using two hydrologically independent sub‐basins in the Cedar Creek watershed located in Texas, USA, using the Soil and Water Assessment Tool (SWAT) model. The probability distribution of the SWAT parameters is derived from the data from one of the sub‐basins and is applied for simulation in the other sub‐basin considered as pseudo‐ungauged. In order to assess the robustness of the method, the numerical exercise is repeated by reversing the gauged and pseudo‐ungauged basins. The results are subsequently compared with the measured stream flow from the sub‐basins. It is observed that the measured stream flow in the pseudo‐ungauged basin lies well within the estimated confidence band of predicted stream flow. Copyright © 2013 John Wiley & Sons, Ltd.
Estimation of mean water transit time on a steep hillslope in South Korea using soil moisture measurements and deuterium excess
Authors: Kim Sanghyun , Jung Sungwon 
Published: January 2013

AbstractA method for estimating daily mean transit time (DMTT) within a soil layer was proposed using field measurements of soil moisture. Vertical profiles of soil moisture time series were used for storage estimation. Water fluxes were evaluated through matrix and bypass flow. Variations in soil moisture and soil thickness were used to evaluate matrix flow. Exponential decay in depth of macropores was also used for bypass flow approximation. DMTT evaluation was compared to results obtained from a stable water isotope model using two years of data acquired on a steep granite hillslope in the Sulmachun watershed, South Korea. Various uncertainties in transit time evaluation such as model structure, non‐stationary assumption and data acquisition of existing approaches can be accounted for in the proposed methodology, and the flowpath contribution can be further configured in conjunction with hydrometric measurements. Probability density functions of isotope analyses were partially explained by transit time distributions that were based on soil moisture measurements. Supplementary sensitivity analyses for uncertainty configurations indicate that matrix flow is the primary process in determining transit time distribution while the impact of bypass flow is minor. The feasibility of a DMTT approach over isotope‐based methodologies highlights not only the strength of this proposed method, both in cost and time, but also its further application potential for existing soil moisture measurements. Copyright © 2013 John Wiley & Sons, Ltd.
Maternal Stress and Problem‐Solving Skills in a Sample of Children with Nonorganic Feeding Disorders
Authors: Martin Clarissa I. , Dovey Terence M. , Coulthard Helen , Southall Angela M. 
Published: January 2013

ABSTRACTThis study compared the problem‐solving strategies among 20 mothers whose infants were diagnosed with a feeding disorder against 20 matched controls. The mothers from the two groups were matched for age and level of education. All mothers completed two questionnaires: the Behavioral Pediatric Feeding Assessment Scale and the Parenting Stress Index (R.R. Abidin, 1990). To measure maternal problem‐solving skill, the Parent Means‐End Problem‐Solving Instrument (D.M. Bryant & B.H. Wasik, 1994) was administered. As expected, statistically significant differences were related to the number and frequency of feeding problems reported and difficulties with mealtime management. Furthermore, mothers of children with a diagnosed feeding disorder demonstrated fewer problem‐solving skills and made use of more “high‐control solutions” (e.g., forcing the child to comply or punishing the child). In contrast, parents of children without feeding disorders preferred to implement more indirect problem‐solving strategies (e.g., planning to remove the child from the situation). Mounting evidence has suggested that difficulties in parenting a child with a diagnosed nonorganic feeding disorder stem from both child‐ and parent‐related factors. The current study provides tentative early evidence for the role of maternal high‐controlling problem‐solving strategies in a small sample of children diagnosed with this disorder.
Netrin‐1 Pretreatment Protects Rat Kidney against Ischemia/Reperfusion Injury via Suppression of Oxidative Stress and Neuropeptide Y Expression
Authors: Liu Ling , Xie Shuqin , Liao Xiaohui , Zhang Ling , Zhong Ling 
Published: January 2013

ABSTRACTNetrin‐1 has been found to protect kidneys from ischemia/reperfusion injury. In this study, we aimed to address whether the protective effects were mediated through suppression of oxidative stress and neuropeptide Y. Compared to sham‐operated animals, animals after ischemia/reperfusion showed marked kidney damage and significantly increased levels of serum creatinine, blood urea nitrogen, malondialdehyde, and neuropeptide Y. Renal myeloperoxidase activity was elevated in animals with ischemia/reperfusion relative to sham‐operated animals, whereas renal superoxide dismutase activity was reduced. Netrin‐1 pretreatment attenuated ischemia/reperfusion‐induced functional and pathological changes in the kidney. Moreover, the ischemia/reperfusion‐induced changes in the oxidative stress biomarkers and neuropeptide Y were significantly counteracted by prior administration of netrin‐1. Taken together, our data showed that netrin‐1 pretreatment prevented renal ischemia/reperfusion injury, at least partially through reduction of oxidative stress and neuropeptide Y expression. © 2013 Wiley Periodicals, Inc. J BiochemMol Toxicol 27:231‐236, 2013; View this article online at wileyonlinelibrary.com. DOI 10.1002/jbt.21474