bluuebunny/crossref_metadata_2025_split huggingface dataset:
Competitive Halide Binding by Halogen Versus Hydrogen Bonding: Bis‐triazole Pyridinium
Authors: Nepal Binod , Scheiner Steve 
Published: July 2015

AbstractThe binding of F−, Cl−, Br−, and I− anions by bis‐triazole‐pyridine (BTP) was examined by quantum chemical calculations. There is one H atom on each of the two triazole rings that chelate the halide via H bonds. These H atoms were replaced by halogens Cl, Br, and I, thus substituting H bonds by halogen bonds. I substitution strongly enhances the binding; Br has a smaller effect, and Cl weakens the interaction. The strength of the interaction is sensitive to the overall charge on the BTP, rising as the binding agent becomes singly and then doubly positively charged. The strongest preference of a halide for halogenated as compared to unsubstituted BTP, as much as several orders of magnitude, is observed for I−. Both unsubstituted and I‐substituted BTP could be used to selectively extract F− from a mixture of halides.
Synthesis of Cembranoid Analogues through Ring‐Closing Metathesis of Terpenoid Precursors: A Challenge Regarding Ring‐Size Selectivity
Authors: Heidt Tanja , Baro Angelika , Köhn Andreas , Laschat Sabine 
Published: July 2015

AbstractA systematic study on ring‐closing metathesis with Grubbs II catalyst to cembranoid macrocycles is described. Acyclic terpenoids with a functional group X in the homoallylic position relative to an RCM active terminus and substituents R, R1 directly attached to the other terminal double bond were prepared from geraniol derived trienes and fragments that are based on bromoalkenes and dimethyl malonate. Such terpenoids were suitable precursors, despite the presence of competing double bonds in their framework. The size of R and R1 is crucial for successful macrocyclization. Whereas small alkyl substituents at the double bond directed the RCM towards six‐membered ring formation, cross metathesis leading to dimers dominated for bulkier alkyl groups. A similar result was obtained for precursors without functional group X. In the case of unsymmetrically substituted terpenoid precursor (R=Et, R1=Me) with homoallylic OTBS or OMe group, the RCM could be controlled towards formation of macrocyclic cembranoids, which were isolated with excellent E‐selectivity. The role of the substituents was further studied by quantum chemical calculations of simplified model substrates. Based on these results a mechanistic rationale is proposed.
The First Modular Route to Core‐Chiral Bispidine Ligands and Their Application in Enantioselective Copper(II)‐Catalyzed Henry Reactions
Authors: Scharnagel Dagmar , Müller Andreas , Prause Felix , Eck Martin , Goller Jessica , Milius Wolfgang , Breuning Matthias 
Published: July 2015

AbstractThe first modular and flexible synthesis of core‐chiral bispidines was achieved by using an “inside‐out” strategy. The key intermediate, a NBoc‐activated bispidine lactam, was constructed in enantiomerically pure form from a chirally modified β‐amino acid and 2‐(acetoxymethyl)acrylonitrile in just five steps and good 48 % yield. A simple addition–reduction protocol permitted a highly endo‐selective introduction of substituents and, thus, a fast and variable access to 2‐endo‐substituted and 2‐endo,N‐fused bi‐ and tricyclic bispidines. The new diamines were evaluated as the chiral ligands in asymmetric Henry reactions. Excellent enantioselectivities of up to 99 % ee and good diastereomeric ratios of up to 86:14 were reached with a copper(II) complex modified by a 2‐endo,N‐(3,3‐dimethylpyrrolidine)‐annelated bispidine. Its performance is superior to that of the well‐known bispidines (−)‐sparteine and the (+)‐sparteine surrogate.
Perspectives on Inhibiting β‐Amyloid Aggregation through Structure‐Based Drug Design
Authors: Mishra Pankaj , Ayyannan Senthil R. , Panda Gautam 
Published: July 2015

AbstractTargeting β‐amyloid (Aβ) remains the most desired strategy in Alzheimer’s disease (AD) drug discovery research. Many peptides that specifically target Aβ aggregates are known, encompassing efforts from both industrial and academic research settings. However, in clinical terms, not much success has been gained with peptide research; in turn, small drug‐like molecules are already globally recognized as showing promise as an alternate approach. Aβ aggregation inhibitors are the most important part of the multifunctional drug design regimen for treating AD. Unfortunately, rational drug design approaches with small molecules are still in the initial stages. Herein we highlight, update, and elaborate on the structural anatomy of Aβ and known Aβ aggregation inhibitors in hopes of helping to optimize their use in structure‐based drug design approaches toward inhibitors with greater specificity. Furthermore, we present the first review of efforts to target a previously uncharacterized region of acetylcholinesterase: the N‐terminal 7–20 sub‐region, which was experimentally elucidated to participate in Aβ aggregation and deposition.
Epidermal growth factor receptor mutation status in cell‐free DNA supernatant of bronchial washings and brushings
Authors: Kawahara Akihiko , Fukumitsu Chihiro , Taira Tomoki , Abe Hideyuki , Takase Yorihiko , Murata Kazuya , Yamaguchi Tomohiko , Azuma Koichi , Ishii Hidenobu , Takamori Shinzo , Akiba Jun , Hoshino Tomoaki , Kage Masayoshi 
Published: July 2015

BACKGROUNDThe aim of the current study was to examine whether it would be possible to detect epidermal growth factor receptor (EGFR) mutations in cytology cell‐free DNA (ccfDNA) from the supernatant fluids of bronchial cytology samples.METHODSThis study investigated cell damage via immunostaining with a cleaved caspase 3 antibody and the quantity of cell‐free DNA in supernatant fluid from 2 cancer cell lines, and the EGFR mutation status was evaluated via polymerase chain reaction (PCR) analysis. EGFR mutations were also evaluated via PCR analysis in 74 clinical samples of ccfDNA from bronchial washing samples with physiological saline or from bronchial brushing liquid‐based cytology samples with CytoRich Red.RESULTSThe quantity and fragmentation of cell‐free DNA in the supernatant fluid and the cell damage and cleaved caspase 3 expression in the sediment gradually increased in a time‐dependent manner in the cell lines. In the 74 clinical samples, the quantity of ccfDNA extracted from the supernatant was adequate to perform the PCR assay, whereas the quality of ccfDNA in physiological saline was often decreased. The detection of EGFR mutations with ccfDNA showed a sensitivity of 88.0%, a specificity of 100%, a positive predictive value of 100%, a negative predictive value of 89.7%, and an accuracy of 94.1% in samples with malignant or atypical cells.CONCLUSIONSThese results suggest that activating EGFR mutations can be detected with ccfDNA extracted from the supernatant fluid of liquid‐based samples via a PCR assay. This could be a rapid and sensitive method for achieving a parallel diagnosis by both morphology and DNA analysis in non–small cell lung cancer patients. Cancer (Cancer Cytopathol) 2015;123:620–8. © 2015 American Cancer Society.
Factors affecting the success of next‐generation sequencing in cytology specimens
Authors: Roy‐Chowdhuri Sinchita , Goswami Rashmi S. , Chen Hui , Patel Keyur P. , Routbort Mark J. , Singh Rajesh R. , Broaddus Russell R. , Barkoh Bedia A. , Manekia Jawad , Yao Hui , Medeiros L. Jeffrey , Staerkel Gregg , Luthra Rajyalakshmi , Stewart John 
Published: July 2015

BACKGROUNDThe use of cytology specimens for next‐generation sequencing (NGS) is particularly challenging because of the unconventional substrate of smears and the often limited sample volume. An analysis of factors affecting NGS testing in cytologic samples may help to increase the frequency of successful testing.METHODSThis study reviewed variables associated with all in‐house cytology cases (n = 207) that were analyzed by NGS with the Ion Torrent platform during a 10‐month interval. A statistical analysis was performed to measure the effects of the DNA input threshold, specimen preparation, slide type, tumor fraction, DNA yield, and cytopathologist bias.RESULTSOne hundred sixty‐four of 207 cases (79%) were successfully sequenced by NGS; 43 (21%) failed because of either a low DNA yield or a template/library preparation failure. The median estimated tumor fraction and DNA concentration for the successfully sequenced cases were 70% and 2.5 ng/μL, respectively, whereas they were 60% and 0.2 ng/μL, respectively, for NGS failures. Cell block sections were tested in 91 cases, and smears were used in 116 cases. NGS success positively correlated with the DNA yield but not the tumor fraction. Cell block preparations showed a higher success rate than smears. Frosted‐tip slides yielded significantly more DNA than fully frosted slides. Lowering the input DNA concentration below the manufacturer's recommended threshold of 10 ng (>0.85 ng/μL) resulted in a marked increase in the NGS success rate from 58.6% to 89.8%.CONCLUSIONSThe failure of NGS with cytology samples is usually a result of suboptimal DNA due to multiple pre‐analytical factors. Knowledge of these factors will allow better selection of cytology material for mutational analysis. Cancer (Cancer Cytopathol) 2015;123:659–668. © 2015 American Cancer Society.
Evaluating map reduce tasks scheduling algorithms over cloud computing infrastructure
Authors: Althebyan Qutaibah , Jararweh Yaser , Yaseen Qussai , AlQudah Omar , Al‐Ayyoub Mahmoud 
Published: July 2015

SummaryEfficiently scheduling MapReduce tasks is considered as one of the major challenges that face MapReduce frameworks. Many algorithms were introduced to tackle this issue. Most of these algorithms are focusing on the data locality property for tasks scheduling. The data locality may cause less physical resources utilization in non‐virtualized clusters and more power consumption. Virtualized clusters provide a viable solution to support both data locality and better cluster resources utilization. In this paper, we evaluate the major MapReduce scheduling algorithms such as FIFO, Matchmaking, Delay, and multithreading locality (MTL) on virtualized infrastructure. Two major factors are used to test the evaluated algorithms: the simulation time and the energy consumption. The evaluated schedulers are compared, and the results show the superiority and the preference of the MTL scheduler over the other existing schedulers. Also, we present a comparison study between virtualized and non‐virtualized clusters for MapReduce tasks scheduling. Copyright © 2015 John Wiley & Sons, Ltd.
Hybrid DC–DC converter with high efficiency, wide ZVS range, and less output inductance
Authors: Lin Bor‐Ren , Chu Chung‐Wei 
Published: July 2015

SummaryIn this paper, a new soft switching direct current (DC)–DC converter with low circulating current, wide zero voltage switching range, and reduced output inductor is presented for electric vehicle or plug‐in hybrid electric vehicle battery charger application. The proposed high‐frequency link DC–DC converter includes two resonant circuits and one full‐bridge phase‐shift pulse‐width modulation circuit with shared power switches in leading and lagging legs. Series resonant converters are operated at fixed switching frequency to extend the zero voltage switching range of power switches. Passive snubber circuit using one clamp capacitor and two rectifier diodes at the secondary side is adopted to reduce the primary current of full‐bridge converter to zero during the freewheeling interval. Hence, the circulating current on the primary side is eliminated in the proposed converter. In the same time, the voltage across the output inductor is also decreased so that the output inductance can be reduced compared with the output inductance in conventional full‐bridge converter. Finally, experiments are presented for a 1.33‐kW prototype circuit converting 380 V input to an output voltage of 300–420 V/3.5 A for battery charger applications. Copyright © 2015 John Wiley & Sons, Ltd.
Comparative performance analysis and complementary triode based CMFB circuits for fully differential class AB symmetrical OTAs with low power consumption
Authors: Centurelli Francesco , Monsurrò Pietro , Trifiletti Alessandro 
Published: July 2015

SummaryIn this paper we extend the figures of merit for class AB symmetrical OTAs to the fully differential case and compare topologies from the literature. This analysis shows that the power consumption of the CMFB can have a significant role in determining the efficiency of the OTA, but on the other hand a CMFB is needed both to set the desired output common mode voltage and to improve the CMRR. We propose the complementary triode CMFB, i.e. a triode CMFB applied both at the NMOS and PMOS current mirrors, as suitable for class AB symmetrical OTAs, and show some case studies in deep submicron CMOS technology to assess the effectiveness of the proposed solution. Copyright © 2015 John Wiley & Sons, Ltd.
Sustainable Groundwater Management: A Comparative Study of Local Policy Changes and Ecosystem Services in South Africa and Germany
Authors: Knüppe Kathrin , Pahl‐Wostl Claudia , Vinke‐de Kruijf Joanne 
Published: July 2015

AbstractGroundwater‐dependent ecosystem services provide benefits to human well‐being and play a key role in regulating ecosystem processes and functions. Improving groundwater management is of fundamental importance to reduce ecological trade‐offs and to avoid long‐term negative consequences for societies. In this context, local groundwater policies as well as multi‐level governance processes play a key role. This article provides an improved understanding of how local policies change in response to social–ecological drivers and how these changes contribute to the sustainable provision of groundwater‐dependent ecosystem services. Within this context, we analyze recent changes in local groundwater policies in the Sandveld region (South Africa) and the Spreewald region (Germany) from a multi‐level governance perspective. In both cases a combination of drivers – in particular ecological degradation experienced at the local level and socio‐political transformation – led to changes of local groundwater policies. A positive impact of these changes is expected, but not yet visible. The studied policies consider the complexity of groundwater functions and the different users depending on them. However, they do not explicitly mention ecosystem services and ignore important ecological processes and functions. Therefore, we conclude that groundwater management could become more sustainable by taking ecosystem services and stakeholder interests more explicitly into account in local policy processes. Copyright © 2015 John Wiley & Sons, Ltd and ERP Environment
Elevated growth differentiation factor 15 levels predict outcome in patients undergoing transcatheter aortic valve implantation
Authors: Krau Nora‐Christina , Lünstedt Nina‐Sophie , Freitag‐Wolf Sandra , Brehm Doreen , Petzina Rainer , Lutter Georg , Bramlage Peter , Dempfle Astrid , Frey Norbert , Frank Derk 
Published: July 2015

AimsTranscatheter aortic valve implantation (TAVI) has emerged as a treatment of aortic stenosis in patients at high surgical risk. However, risk stratification in this elderly population is challenging, as patients at extreme risk might not benefit from TAVI. While several clinical criteria have been proposed for estimating the outcome, prediction of individual risk remains difficult. Therefore, our aim was to assess the prognostic value of the biomarker growth differentiation factor 15 (GDF15).Methods and resultsOver a 2.9‐year period, we prospectively enrolled 217 patients undergoing TAVI. Clinical parameters, risk scores, and biomarkers (NT‐proBNP and GDF15) were measured at baseline. The primary endpoint was survival time; prognostic factors were analysed by Cox regression analysis. Mean age of study participants was 81.8 ± 6.0 years. Median Logistic EuroSCORE was 20.1 (Q1–Q3 13.6–32.6). Thirty‐day mortality was 6.9%; 30.4% of the patients died during follow‐up [median 349 days (Q1–Q3 106–660)]. Median pre‐procedural GDF15 values were 2256 pg/mL (1585–3082). High GDF15 levels were associated with numerous factors that could contribute to poor outcome. Analyses comparing the upper quartile with the lower three quartiles for biomarker levels revealed a hazard ratio (HR) of increased GDF15 for adverse outcome of 2.4 [95% confidence interval (CI) 1.5–3.9, P < 0.001]. Of note, in multiple analyses, elevated GDF15 levels were superior to NT‐proBNP for predicting negative outcome (adjusted HR of GDF15 1.97, 95% CI 1.2–3.3; P = 0.009).ConclusionElevated GDF15 levels were superior to NT‐proBNP for TAVI risk stratification and provided additional prognostic information. Thus, patient selection for TAVI may benefit from measurement of GDF15.
Trimetallic PEPPSI‐Type Palladium N‐Heterocyclic Carbene Complexes – Improved Catalyst Lifetime in the Mizoroki–Heck Coupling Reaction
Authors: Martínez‐Olid Francisco , Andrés Román , Flores Juan C. , Gómez‐Sal Pilar 
Published: July 2015

AbstractA series of mono‐ and dendritic trimetallic PEPPSI‐type (pyridine‐enhanced precatalyst preparation stabilization and initiation) complexes bearing N‐heterocyclic carbene (NHC) ligands containing a protected amine in the form of an ethylphthalimido group have been synthesized. These discrete prototypes of complexes covalently bound to suitable supports have been studied in the Mizoroki–Heck coupling of aryl iodides under mild conditions, including sets of experiments to assess the lifetime of the active species. The palladated dendrons are more efficient and robust catalysts than their monometallic counterparts.
Metal‐Free Oxidative C–H Amidation of N,N′‐Diarylureas with PhI(OAc)2: Synthesis of Benzimidazol‐2‐one Derivatives
Authors: Yu Jipan , Gao Chang , Song Zhixuan , Yang Haijun , Fu Hua 
Published: July 2015

AbstractBenzimidazol‐2‐ones have various biological functions and are usually prepared by reactions of substituted benzene‐1,2‐diamines with carbonyl‐containing compounds or intramolecular N‐arylations using substrates with carbon‐halogen bonds. However, the starting materials of these protocols are often not readily available. Herein, a simple and practical metal‐free oxidative C–H amidation of N,N′‐diarylureas has been developed that takes place at room temperature. This protocol uses readily available N,N′‐diarylureas as the starting materials and inexpensive PhI(OAc)2 as the oxidant without the need of a catalyst, ligand, or the exclusion of air. The present method has a wide functional group tolerance and affords a new and practical strategy for the synthesis of N‐heterocycles.
Corrosion Behavior of Biocompatible Stainless Steels in Physiological Medium for Non‐invasive Diagnosis of Small Fiber Neuropathies Applications
Authors: Calmet Amandine , Amar Abdelilah , Griveau Sophie , Lair Virginie , Sutter Eliane , Recio Francisco Javier , Brunswick Philippe , Bedioui Fethi , Cassir Michel 
Published: July 2015

AbstractA non‐invasive device based on measurements of electrochemical skin conductance can detect small fiber neuropathy, a sweat gland dysfunction implicated in several diseases. The measurement is related to sweat composition and notably to chloride concentration. To optimize the electrode material, in vitro experiments are performed in mimetic sweat solutions. This work reports on the resistance to pitting corrosion of biocompatible stainless steels (AISI 304L, AISI 430, AISI 430T, D2205) in sweat mimicking electrolyte at pH 7 with variable chloride concentration, to determine the most sensitive material to sweat composition. AISI 430 is promising due to its high sensitivity to chloride concentration variations.
Physicochemical Properties and Slurry Ability of Lignite Upgraded by a Solvent‐Extraction Approach
Authors: Sun Ye , Wang Xingjun , Dai Zhenghua , Yu Guangsuo , Wang Fuchen 
Published: July 2015

AbstractSupercritical carbon dioxide (scCO2)/coal tar/N‐methyl‐2‐pyrrolidinone (NMP) mixed solvent was used to upgrade lignite by extraction in a semicontinuous supercritical extraction device. The upgraded lignite has potential applications in coal–water slurry (CWS) gasification. The effects of the process conditions (operating temperature, pressure, solvent ratio, and particle size) on the physical and chemical properties of the upgraded lignite were studied. The Brunauer–Emmett–Teller specific surface area and the Barrett–Joyner–Halenda absorption pore volume of the upgraded coal increased to approximately twice those of the raw lignite. The BJH adsorption average pore diameter of the upgraded coal was smaller than that of raw lignite. The heavy constituents in coal tar were absorbed into the coal pore structure, and the low‐molecular‐weight compounds in lignite and coal tar could be extracted. The results showed that upgraded lignite with a better slurry ability was achieved by extraction with the scCO2/coal tar/NMP mixed solvent. The upgraded CWS concentration increased by 6–10 %. The flowability of the upgraded CWS improved slightly. After upgrade through the scCO2/tar/NMP process, the pseudoplastic‐fluid trend of the upgraded CWS improved, and the lignite gasification reactivity improved.
Buccal adhesive nanofibers containing human growth hormone for oral mucositis
Authors: Choi Ji Suk , Han Suk‐Hee , Hyun Changbaig , Yoo Hyuk Sang 
Published: July 2015

AbstractDue to a lack of proper drug carriers to deliver treatments for mucositis, many cancer patients suffer from oral mucositis caused by chemotherapy and radiotherapy. We prepared a double‐layered electrospun nanofibrous sheets composed of Eudragit and chitosan to accelerate the healing rate of oral mucous ulcer. Human growth hormone (hGH) and Eudragit in a mixture of dimethylacetamide and ethanol were co‐electrospun to nanofibrous sheets. The electrospun fibrous mat was subsequently layered with chitosan by a dip‐coating method. Chitosan‐layered sheets showed attenuated mass erosion while uncoated sheets were instantly melted at the physiological condition. The released hGH was trapped on the chitosan layer by the ionic interaction between positively charged chitosan and negatively charged hGH, and a large number of entrapped proteins remained on the SIS membrane due to the muco‐adhesive properties of chitosan. hGH‐incorporated sheets significantly increased proliferation of human dermal fibroblasts. In vivo study employing oral ulcers in dogs, the ulcers dressed with chitosan‐layered sheets showed enhanced wound recovery and the chitosan layers on the sheet greatly assisted prolonged recovery. Therefore, chitosan‐layered Eudragit nanofibrous sheets can be potentially applied to developing muco‐adhesive wound dressing materials with pH‐dependent drug release by adjusting the thickness of chitosan sheath on the sheets. © 2015 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 104B: 1396–1406, 2016.
In vitro and in vivo evaluation of a shape memory polymer foam‐over‐wire embolization device delivered in saccular aneurysm models
Authors: Boyle Anthony J. , Landsman Todd L. , Wierzbicki Mark A. , Nash Landon D. , Hwang Wonjun , Miller Matthew W. , Tuzun Egemen , Hasan Sayyeda M. , Maitland Duncan J. 
Published: July 2015

AbstractCurrent endovascular therapies for intracranial saccular aneurysms result in high recurrence rates due to poor tissue healing, coil compaction, and aneurysm growth. We propose treatment of saccular aneurysms using shape memory polymer (SMP) foam to improve clinical outcomes. SMP foam‐over‐wire (FOW) embolization devices were delivered to in vitro and in vivo porcine saccular aneurysm models to evaluate device efficacy, aneurysm occlusion, and acute clotting. FOW devices demonstrated effective delivery and stable implantation in vitro. In vivo porcine aneurysms were successfully occluded using FOW devices with theoretical volume occlusion values greater than 72% and rapid, stable thrombus formation. © 2015 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 104B: 1407–1415, 2016.