bluuebunny/crossref_metadata_2025_split huggingface dataset:
Flavonoid profiles of immature and mature fruit tissues of Citrus grandis Osbeck (Dangyuja) and overall contribution to the antioxidant effect
Authors: Yu Eun Ae , Kim Gon‐Sup , Lee Ji Eun , Park Semin , Yi Song , Lee Soo Jung , Kim Jae Hoon , Jin Jong Sung , Abd El‐Aty A. M. , Shim Jae‐Han , Shin Sung Chul 
Published: September 2014

AbstractCitrus fruits are a valuable functional food and their peel is used in East Asian folk medicine. In this study, the polar components of the fruit tissues of Citrus grandis Osbeck were analyzed using high‐performance liquid chromatography–tandem mass spectrometry and compared with reported data. Among the 13 characterized compounds, eight flavonoids and one coumarin were identified for the first time in fruit tissues. The total amount of the identified components was the largest for the immature fruit peel, followed by mature fruit peel, mature fruit flesh, and immature fruit flesh. Naringin (2) and neohesperidin (3) were particularly rich in all samples. The antioxidant activity of the flavonoids extracted from fruit tissues increased in a dose‐dependent manner. The activity of the fruit peels was significantly higher than that of the fruit flesh. Copyright © 2014 John Wiley & Sons, Ltd.
Integration of Aqueous Two‐Phase Extraction into Downstream Processing
Authors: Eggersgluess Jan , Wellsandt Tim , Strube Jochen 
Published: September 2014

AbstractAqueous two‐phase extraction (ATPE) is increasingly considered to be a feasible unit operation, e.g., for the capture of monoclonal antibodies or recombinant proteins. So far, knowledge on the applicability of ATPE in antibody processes has been collected mostly in lab‐scale. In contrast, approaches for the integration of ATPE into a downstream process are investigated. A complete process sequence including extraction, washing, ultrafiltration, and ion‐exchange chromatography is discussed and suggested for antibody purification. Excellent antibody purities can be achieved. Additionally, a model is applied that allows early‐on prediction of a multistage ATPE with high prediction accuracy. Finally, an economic evaluation between ATPE and Protein A chromatography is performed, reaching up to five‐fold cost‐saving factors.
CFD Modeling of a Carbonation Reactor with a K‐Based Dry Sorbent for CO2 Capture
Authors: Yu Guangbin , Dai Bing , Chen Juhui , Liu Di , Yu Xiaoyang , Shao Junpeng , Zhao Lei 
Published: September 2014

AbstractA 2D CFD simulation of the carbonation reactor is carried out to evaluate the performance of potassium‐based dry sorbent during the CO2 capture process. A multiscale drag coefficient model is incorporated into the two‐fluid model to take the effects of clusters into account. The influence of several parameters on CO2 removal is investigated. The results indicate that increasing the reactor height and reducing the gas velocity can lengthen the residence time of particles and enhance the CO2 removal. The operating pressure has a significant influence on the performance of solid sorbents. A higher pressure will decrease the CO2 removal efficiency.
Thieno[3,2‐b]thiophene‐Diketopyrrolopyrrole‐Based Quinoidal Small Molecules: Synthesis, Characterization, Redox Behavior, and n‐Channel Organic Field‐Effect Transistors
Authors: Wang Chao , Zang Yaping , Qin Yunke , Zhang Qian , Sun Yuanhui , Di Chong‐an , Xu Wei , Zhu Daoben 
Published: September 2014

AbstractWe report the synthesis, characterization, redox behavior, and n‐channel organic field‐effect (OFET) characteristics of a new class of thieno[3,2‐b]thiophene‐diketopyrrolopyrrole‐based quinoidal small molecules 3 and 4. Under ambient atmosphere, solution‐processed thin‐film transistors based on 3 and 4 exhibit maximum electron mobilities up to 0.22 and 0.16 cm2 V−1 s−1, respectively, with on‐off current ratios (Ion/Ioff) of more than than 106. Cyclic voltammetry analysis showed that this class of quinoidal derivatives exhibited excellent reversible two‐stage reduction behavior. This property was further investigated by a stepwise reductive titration of 4, in which sequential reduction to the radical anion and then the dianion were observed.
Chelating Ruthenium Phenolate Complexes: Synthesis, General Catalytic Activity, and Applications in Olefin Metathesis Polymerization
Authors: Kozłowska Anna , Dranka Maciej , Zachara Janusz , Pump Eva , Slugovc Christian , Skowerski Krzysztof , Grela Karol 
Published: September 2014

AbstractCyclic Ru‐phenolates were synthesized, and these compounds were used as olefin metathesis catalysts. Investigation of their catalytic activity pointed out that, after activation with chemical agents, these catalysts promote ring‐closing metathesis (RCM), enyne and cross‐metathesis (CM) reactions, including butenolysis, with good results. Importantly, these latent catalysts are soluble in neat dicyclopentadiene (DCPD) and show good applicability in ring‐opening metathesis polymeriyation (ROMP) of this monomer.
Synthesis and Characterization of Donor–π‐Acceptor‐Based Porphyrin Sensitizers: Potential Application of Dye‐Sensitized Solar Cells
Authors: Sreenivasu Mareedu , Suzuki Akira , Adachi Mitsuhiro , Kumar Challuri Vijay , Srikanth Bingi , Rajendar S. , Rambabu Dasa , Kumar Rangaraju Satish , Mallesham P. , Rao N. Vijaya Bhaskar , Kumar M. Suresh , Reddy P. Y. 
Published: September 2014

AbstractNew porphyrin sensitizers based on donor–π‐acceptor (D‐π‐A) approach have been designed, synthesized, characterized by various spectroscopic techniques and their photovoltaic properties explored. N,N′‐Diphenylamine acts as donor, the porphyrin is the π‐spacer, and either carboxylic acid or cyanoacryclic acid acts as acceptor. All compounds were characterized by using 1H NMR spectroscopy, ESI‐MS, UV–visible emission spectroscopies as well as electrochemical methods. The presence of aromatic groups between porphyrin π‐plane and acceptor group push the absorption of both Soret and Q‐bands of porphyrin towards the red region. The electrochemical properties suggests that LUMO of these sensitizers above the TiO2 conduction band. Finally, the device was fabricated using liquid redox electrolyte (I−/I3−) and its efficiency was compared with that of a leading sensitizer.
Discovery and Characterization of 2‐(Cyclopropanesulfonamido)‐N‐(2‐ethoxyphenyl)benzamide, ML382: a Potent and Selective Positive Allosteric Modulator of MrgX1
Authors: Wen Wandong , Wang Yan , Li Zhe , Tseng Pang‐Yen , McManus Owen B. , Wu Meng , Li Min , Lindsley Craig W. , Dong Xinzhong , Hopkins Corey R. 
Published: September 2014

AbstractPrevious studies have shown that the activation of mouse MrgC11, a G‐protein‐coupled receptor, by its peptide ligand BAM8‐22 can inhibit chronic pain. A large‐scale screen has been carried out to isolate small‐molecule allosteric agonists of MrgX1, the human homologue of MrgC11. The goal of this study is to improve the efficacy and potency of positive allosteric modulators (PAMs) with therapeutic implications in combating chronic pain. Herein we report an iterative parallel synthesis effort and a structure–activity relationship study of a series of arylsulfonamides which led to the discovery of the first PAM of MrgX1, ML382.
A survey of recommendation techniques based on offline data processing
Authors: Ren Yongli , Li Gang , Zhou Wanlei 
Published: September 2014

SummaryRecommendations based on offline data processing has attracted increasing attention from both research communities and IT industries. The recommendation techniques could be used to explore huge volumes of data, identify the items that users probably like, translate the research results into real‐world applications and so on. This paper surveys the recent progress in the research of recommendations based on offline data processing, with emphasis on new techniques (such as temporal recommendation, graph‐based recommendation and trust‐based recommendation), new features (such as serendipitous recommendation) and new research issues (such as tag recommendation and group recommendation). We also provide an extensive review of evaluation measurements, benchmark data sets and available open source tools. Finally, we outline some existing challenges for future research. Copyright © 2014 John Wiley & Sons, Ltd.
GSWABE: faster GPU‐accelerated sequence alignment with optimal alignment retrieval for short DNA sequences
Authors: Liu Yongchao , Schmidt Bertil 
Published: September 2014

SummaryIn this paper, we present GSWABE, a graphics processing unit (GPU)‐accelerated pairwise sequence alignment algorithm for a collection of short DNA sequences. This algorithm supports all‐to‐all pairwise global, semi‐global and local alignment, and retrieves optimal alignments on Compute Unified Device Architecture (CUDA)‐enabled GPUs. All of the three alignment types are based on dynamic programming and share almost the same computational pattern. Thus, we have investigated a general tile‐based approach to facilitating fast alignment by deeply exploring the powerful compute capability of CUDA‐enabled GPUs. The performance of GSWABE has been evaluated on a Kepler‐based Tesla K40 GPU using a variety of short DNA sequence datasets. The results show that our algorithm can yield a performance of up to 59.1 billions cell updates per second (GCUPS), 58.5 GCUPS and 50.3 GCUPS for global, semi‐global and local alignment, respectively. Furthermore, on the same system GSWABE runs up to 156.0 times faster than the Streaming SIMD Extensions (SSE)‐based SSW library and up to 102.4 times faster than the CUDA‐based MSA‐CUDA (the first stage) in terms of local alignment. Compared with the CUDA‐based gpu‐pairAlign, GSWABE demonstrates stable and consistent speedups with a maximum speedup of 11.2, 10.7, and 10.6 for global, semi‐global, and local alignment, respectively. Copyright © 2014 John Wiley & Sons, Ltd.
Structure–Activity Relationships of Glycogen Phosphorylase Inhibitor FR258900 and Its Analogues: A Combined Synthetic, Enzyme Kinetics, and Computational Study
Authors: Juhász László , Varga Gergely , Sztankovics Andrea , Béke Ferenc , Docsa Tibor , Kiss‐Szikszai Attila , Gergely Pál , Kóňa Juraj , Tvaroška Igor , Somsák László 
Published: September 2014

AbstractA series of O‐ or N‐cinnamoylated, p‐coumaroylated, feruloylated, phenyl, and substituted phenylpropiolated derivatives of L‐malic, 3‐hydroxypentanedioic, and L‐glutamic acids were synthesized as analogues of the natural product glycogen phosphorylase (GP) inhibitor FR258900 (2,3‐bis(4‐hydroxycinnamoyloxy)glutaric acid). These compounds proved practically inactive against rabbit muscle glycogen phosphorylase b. A structure–activity study involving previously synthesized tartaric acid analogues of FR258900 revealed that two acyl moieties must be present in the compounds to make a good inhibitor. Molecular modeling methods (docking and quantitative structure–activity relationship (QSAR) calculations) were used to understand the nature of the binding affinities of these GP inhibitors. The generated 3D models for GP–inhibitor complexes showed that both the polar allosteric site pocket and the hydrophobic pocket at the interface of the homodimeric units of GP were important for effective binding of the acyl and aromatic moieties of the inhibitors. The predictive QSAR models consist of empirical and quantum mechanics descriptors and provide good explanatory and predictive abilities (prediction coefficient Q2=0.7–0.9 when cross‐validation procedures were performed).
Gluconic Acid from Biomass Fast Pyrolysis Oils: Specialty Chemicals from the Thermochemical Conversion of Biomass
Authors: Santhanaraj Daniel , Rover Marjorie R. , Resasco Daniel E. , Brown Robert C. , Crossley Steven 
Published: September 2014

AbstractFast pyrolysis of biomass to produce a bio‐oil followed by catalytic upgrading is a widely studied approach for the potential production of fuels from biomass. Because of the complexity of the bio‐oil, most upgrading strategies focus on removing oxygen from the entire mixture to produce fuels. Here we report a novel method for the production of the specialty chemical, gluconic acid, from the pyrolysis of biomass. Through a combination of sequential condensation of pyrolysis vapors and water extraction, a solution rich in levoglucosan is obtained that accounts for over 30 % of the carbon in the bio‐oil produced from red oak. A simple filtration step yields a stream of high‐purity levoglucosan. This stream of levoglucosan is then hydrolyzed and partially oxidized to yield gluconic acid with high purity and selectivity. This combination of cost‐effective pyrolysis coupled with simple separation and upgrading could enable a variety of new product markets for chemicals from biomass.
Current Control Method of Achieving Wide‐Range Power Driving for Linear Synchronous Motor with Half‐Wave‐Rectified Self‐Excitation
Authors: Hirayama Tadashi , Higuchi Tsuyoshi 
Published: September 2014

SUMMARYIn a previous paper, we proposed a novel linear synchronous motor with half‐wave‐rectified self‐excitation. A long‐stator‐type linear synchronous motor was built and its performance was verified by experiments. This paper presents a new current control method for the linear synchronous motor in order to achieve a wide range of speeds and high‐power operations. First, we propose a current control method for high‐thrust operation in the constant‐thrust region. This operation is realized by using the reluctance thrust resulting from the saliency of the linear synchronous motor. We also propose a control method that maximizes the ratio of the thrust to the voltage; this method can be used to expand the operating range. Wide‐range‐speed operation can be achieved by applying this new control method along with field‐weakening control. The thrust and operating characteristics of the proposed control methods are estimated by performing experiments and coupled electric and magnetic analysis.
Coordination Polymers Based on Alkylboronate Ligands: Synthesis, Characterization, and Computational Modelling
Authors: Berthomieu Dorothée , Gervais Christel , Renaudin Guillaume , Reinholdt Marc , Sene Saad , Smith Mark E. , Bonhomme Christian , Laurencin Danielle 
Published: September 2014

AbstractBoronate ligands [R–B(OH)3–] have recently started to attract attention for the elaboration of coordination polymer networks. Here, three new crystalline structures involving butyl‐ and octylboronate ligands are described: Sr[Bu–B(OH)3]2, Ca[Oct–B(OH)3]2 and Sr[Oct–B(OH)3]2 (Bu = C4H9, Oct = C8H17). All were obtained as microcrystalline powders, and their structures were solved by synchrotron powder X‐ray diffraction. IR and multinuclear (13C, 11B, 43Ca, 87Sr and 1H) solid‐state NMR characterizations were performed on the materials. Computational models of the new Sr[Bu–B(OH)3]2 phase and the previously reported Sr[Ph–B(OH)3]2·H2O structure were then developed. The IR O–H stretching modes and NMR parameters were calculated for these models and are discussed in view of the experimental spectra. This work confirms the importance of computational studies on boronate phases to determine the nature of the H‐bond network within the materials and to better understand their spectroscopic signatures.
Pressure‐driven, shoreline currents in a perennially ice‐covered, pro‐glacial lake in Antarctica, identified from a LiCl tracer injected into a pro‐glacial stream
Authors: Castendyk Devin , McKnight Diane , Welch Kathy , Niebuhr Spencer , Jaros Chris 
Published: September 2014

AbstractThe distribution of streamwater within ice‐covered lakes influences sub‐ice currents, biological activity and shoreline morphology. Perennially ice‐covered lakes in the McMurdo Dry Valleys, Antarctica, provide an excellent natural laboratory to study hydrologic–limnologic interactions under ice cover. For a 2 h period on 17 December 2012, we injected a lithium chloride tracer into Andersen Creek, a pro‐glacial stream flowing into Lake Hoare. Over 4 h, we collected 182 water samples from five stream sites and 15 ice boreholes. Geochemical data showed that interflow travelled West of the stream mouth along the shoreline and did not flow towards the lake interior. The chemistry of water from Andersen Creek was similar to the chemistry of water below shoreline ice. Additional evidence for Westward flow included the morphology of channels on the ice surface, the orientation of ripple marks in lake sediments at the stream mouth and equivalent temperatures between Andersen Creek and water below shoreline ice. Streamwater deflected to the right of the mouth of the stream, in the opposite direction predicted by the Coriolis force. Deflection of interflow was probably caused by the diurnal addition of glacial runoff and stream discharge to the Eastern edge of the lake, which created a strong pressure gradient sloping to the West. This flow directed stream momentum away from the lake interior, minimizing the impact of stream momentum on sub‐ice currents. It also transported dissolved nutrients and suspended sediments to the shoreline region instead of the lake interior, potentially affecting biological productivity and bedform development. Copyright © 2014 John Wiley & Sons, Ltd.
Using MODFLOW code to approach transient hydraulic head with a sharp‐interface solution
Authors: Llopis‐Albert Carlos , Pulido‐Velazquez David 
Published: September 2014

AbstractSaltwater intrusion problems have been usually tackled through analytical models because of its simplicity, easy implementation and low computational cost. Most of these models are based on the sharp‐interface approximation and the Ghyben–Herzberg relation, which neglects mixing of fresh water and seawater and implicitly assumes that salt water remains static. This paper provides insight into the validity of a sharp‐interface approximation defined from a steady state solution when applied to transient seawater intrusion problems. The validation tests have been performed on a 3D unconfined synthetic aquifer, which include spatial and temporal distribution of recharge and pumping wells. Using a change of variable, the governing equation of the steady state sharp‐interface problem can be written with the same structure of the steady confined groundwater flow equation as a function of a single potential variable (ϕ). We propose to approach also the transient problem solving a single potential equation (using also the ϕ variable) with the same structure of the confined groundwater flow equation. It will allow solving the problem by using the classical MODFLOW code. We have used the parameter estimation model PEST to calibrate the parameters of the transient sharp‐interface equation. We show how after the calibration process, the sharp‐interface approach may provide accurate enough results when applied to transient problems and improve the steady state results, thus avoiding the need of implementing a density‐dependent model and reducing the computational cost. This has been proved by comparing results with those obtained using the finite difference numerical code SEAWAT for solving the coupled partial differential equations of flow and density‐dependent transport. The comparison was performed in terms of piezometric heads, seawater penetration, transition zone width and critical pumping rates. Copyright © 2014 John Wiley & Sons, Ltd.
Paediatric and Perinatal Health Abstracts at SHPA National Conferences: Trends in Presentation and Subsequent Publication
Authors: Grzeskowiak Luke E , Thomas Alicia E 
Published: September 2014

ABSTRACTBackgroundPublication of research and practice experiences is an essential component in disseminating findings to the wider community and advancing pharmacy practice.AimTo assess trends in the presentation and subsequent publication of abstracts in the specialty areas of paediatrics and perinatal health (i.e. obstetrics and neonatology) at the Society of Hospital Pharmacists of Australia (SHPA) National Conference from 2007 to 2012.MethodRelevant accepted oral and poster presentations were identified from conference handbooks from 2007 to 2012. Data were extracted on the type of presentation, the type of abstract (case presentation, clinical audit, description of pharmacy practice, experimental or observational study), state of origin, number of authors and specialty area. The publication status of the abstracts was determined by searching Embase, Medline and Informit using author names and key words identified from the abstract title.ResultsFrom 2007 to 2012, 1617 abstracts were presented at SHPA National Conferences. Of these, 65 (4%) and 45 (3%) were in the areas of paediatrics and perinatal health, respectively. Excluding those presented in 2012, only 10 (10%) abstracts were subsequently published. Of the 30 oral presentations, five (17%) were published, whereas only five (8%) of the 66 poster abstracts were published. Over time, the types of abstracts submitted have remained consistent; however, publication rates differ according to the type of abstract (0% for case presentations, 0% for descriptions of pharmacy practice, 3% for clinical audits and 50% for experimental or observational studies).ConclusionAbstracts with a paediatric and perinatal health focus represent a small number of presentations at SHPA National Conferences (10%), with few going on to be published (1 in 10). Given the importance of disseminating clinical and research findings for the advancement of specialty pharmacy practice across otherwise potentially isolated settings, future research should investigate key barriers and potential facilitators to address the low publication rate identified.
Edge Proximity Conditions for Extendability in Planar Triangulations
Authors: Fujisawa Jun , Ota Katsuhiro 
Published: September 2014

AbstractA graph G with at least vertices is said to be distance d m‐extendable if for any matching M of G with m edges in which the edges lie at distance at least d pairwise, there exists a perfect matching of G containing M. In this article we prove that every 5‐connected triangulation on the plane of even order is distance 3 9‐extendable and distance 4 m‐extendable for any m.
Photoresponsive Glycopolymer Aggregates as Controlled Release Systems
Authors: Menon Sajith , Ongungal Rahul M. , Das Suresh 
Published: September 2014

The use of a new block copolymer made up of poly(azobenzene methacrylate) (PMAzo) and poly(3‐O‐4‐vinylbenzoyl‐d‐glucopyranose) (PBG) is described for the solubilization of water‐insoluble dyes such as Nile Red in aqueous solutions. This polymer, which is abbreviated as PMAzo‐b‐PBG, self‐assembles into spherical aggregates in water as confirmed by atomic force microscopy. UV irradiation of the aqueous polymer solution destabilizes the aggregates brought about as a result of the trans–cis isomerization of the MAzo units. Dissociated aggregates reunite to form tubular aggregates when the solution is irradiated with 450 nm light. Nile Red, which is a hydrophobic dye, can be incorporated into these aggregates and subsequently released using UV light. The encapsulation, release, and re‐encapsulation of Nile Red are studied using fluorescence spectroscopy.
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