bluuebunny/crossref_metadata_2025_split huggingface dataset:
ChemInform Abstract: Diastereoselective Synthesis of N‐Alkylated Octahydroacridines via a Catalyst‐Free SNAr Approach.
Authors: Muddala Nagendra Prasad , Nammalwar Baskar , Selvaraju Subhashini , Bunce Richard A. 
Published: January 2016

AbstractA three‐step diastereoselective synthesis of the title acridines from inexpensive starting materials is developed.
ChemInform Abstract: A Facile Synthesis of Regioisomeric 4‐Amino‐ and 6‐Amino‐3‐arylpyrazolo[3,4‐b]pyridine‐5‐carbonitriles.
Authors: Petrov Alexander A. , Kasatochkin Alexander N. , Selivanov Stanislav I. 
Published: January 2016

AbstractRefluxing of 5‐aminopyrazoles (I) with ethoxymethylidenemalononitrile in BuOH smoothly affords 6‐aminopyrazolopyridine‐5‐carbonitriles (III).
ChemInform Abstract: Copper‐Mediated Three‐Component Synthesis of 3‐Cyanoimidazo[1,2‐a]pyridines.
Authors: Wen Qiaodong , Lu Ping , Wang Yanguang 
Published: January 2016

AbstractThe reaction of 2‐aminopyridines with acetophenones and benzylcyanide delivers the title products in high yields.
ChemInform Abstract: Reaction of Substituted Pyrido[1,2‐a]benzimidazoles with Electrophilic Agents.
Authors: Begunov Roman S. , Sokolov Alexandr A. , Belova Valeria O. , Fakhrutdinov Artem N. , Shashkov Alexander S. , Fedyanin Ivan V. 
Published: January 2016

AbstractThe unusual introduction of an electrophilic species at the ortho position with respect to an electron‐withdrawing group is found.
ChemInform Abstract: Improved Cyclization Conditions to Prepare 6‐Substituted Pyrazolo[1,5‐a]pyridines and Pyrazolo[1,5‐a]pyrazines Using Catalytic Ag(I) and Au(III) Salts.
Authors: Braganza John F. , et al.  
Published: January 2016

Abstract2‐Alkynylpyridines are converted into N‐aminopyridinium salts.
ChemInform Abstract: An Efficient One Pot Synthesis of 2‐Amino Quinazolin‐4(3H)‐one Derivative via MCR Strategy.
Authors: Narayana Murthy V. , Nikumbh Satish P. , Praveen Kumar S. , Vaikunta Rao L. , Raghunadh Akula 
Published: January 2016

AbstractThe novel and facile three‐component reaction of isatoic anhydride, amines, and cyanating agent (III) allows the synthesis of the title species in moderate to good yields.
ChemInform Abstract: One‐Pot Synthesis of Aza‐Diketopiperazines Enabled by Controlled Reactivity of N‐Isocyanate Precursors.
Authors: Ivanovich Ryan A. , Vincent‐Rocan Jean‐Francois , Elkaeed Eslam B. , Beauchemin Andre M. 
Published: January 2016

AbstractThe acylation of carbazates with chloroacetyl chloride followed by Et3N‐mediated cascade reaction with primary amines provides access to a variety of disubstituted aza‐diketopiperazines such as (IV), (VII), and (X).
Chemoenzymatic Route for the Synthesis of (S)‐Moprolol, a Potential β‐Blocker
Authors: Ghosh Saptarshi , Bhaumik Jayeeta , Banoth Linga , Banesh Sooram , Banerjee Uttam Chand 
Published: January 2016

AbstractA biocatalytic route for the synthesis of a potential β‐blocker, (S)‐moprolol is reported here. Enantiopure synthesis of moprolol is mainly dependent on the chiral intermediate, 3‐(2‐methoxyphenoxy)‐propane‐1,2‐diol. Various commercial lipases were screened for the enantioselective resolution of (RS)‐3‐(2‐methoxyphenoxy)propane‐1,2‐diol to produce the desired enantiomer. Among them, Aspergillus niger lipase (ANL) was selected on the basis of both stereo‐ and regioselectivity. The optimized values of various reaction parameters were determined such as enzyme (15 mg/mL), substrate concentration (10 mM), organic solvent (toluene), reaction temperature (30 °C), and time (18 h).The optimized conditions led to achieving >49% yield with high enantiomeric excess of (S)‐3‐(2‐methoxyphenoxy)propane‐1,2‐diol. The lipase‐mediated catalysis showed regioselective acylation with dual stereoselectivity. Further, the enantiopure intermediate was used for the synthesis of (S)‐moprolol, which afforded the desired β‐blocker. Chirality 28:313–318, 2016. © 2016 Wiley Periodicals, Inc.
Parallel algorithms for anomalous subgraph detection
Authors: Zhao Jieyu , Li Jianxin , Zhou Baojian , Chen Feng , Tomchik Paul , Ju Wuyang 
Published: January 2016

SummaryFor the many application domains concerning entities and their connections, often their data can be formally represented as graphs and an important problem is detecting an anomalous subgraph within it. Numerous methods have been proposed to speed‐up anomalous subgraph detection; however, each incurs non‐trivial costs on detection accuracy. In this paper, we formulate the anomalous subgraph detection problem as the maximization of a non‐parametric scan statistic and then approximate it to a submodular maximization problem. We propose two parallel algorithms: non‐coordination anomalous subgraph detection (NCASD) and under‐coordination anomalous subgraph detection (UCASD)for the anomalous subgraph detection. To the best of our knowledge, this paper is the first to solve this problem in parallel. NCASD emphasizes speed at the expense of approximation guarantees, while UCASD achieves a higher approximation factor through additional coordination controls and reduced parallelism. The experiments demonstrate the effectiveness and efficiency of our proposed approaches in a real‐world application domain (water pollution detection), comparing them with five other state‐of‐the‐art methods. Copyright © 2016 John Wiley & Sons, Ltd.
Parallel social network mining for interesting ‘following’ patterns
Authors: Leung Carson Kai‐Sang , Jiang Fan , Pazdor Adam G. M. , Peddle Aaron M. 
Published: January 2016

SummarySocial networking sites (e.g., Facebook, Google+, and Twitter) have become popular for sharing valuable knowledge and information among social entities (e.g., individual users and organizations), who are often linked by some interdependency such as friendship. As social networking sites keep growing, there are situations in which a user wants to find those frequently followed groups of social entities so that he can follow the same groups. In this article, we present (i) a space‐efficient bitwise data structure for capturing interdependency among social entities; (ii) a time‐efficient data mining algorithm that makes the best use of our proposed data structure for serial discovery of groups of frequently followed social entities; and (iii) another time‐efficient data mining algorithm for concurrent computation and discovery of groups of frequently followed social entities in parallel so as to handle high volumes of social network data. Evaluation results show the efficiency and practicality of our data structure and social network data mining algorithms. Copyright © 2016 John Wiley & Sons, Ltd.
Building knowledge base of urban emergency events based on crowdsourcing of social media
Authors: Xu Zheng , Zhang Hui , Hu Chuanping , Mei Lin , Xuan Junyu , Choo Kim‐Kwang Raymond , Sugumaran Vijayan , Zhu Yiwei 
Published: January 2016

SummaryAn emergency event is an unexceptional event that exceeds the capacity of normal resources and organization to cope and a situation that poses an immediate risk to health, life, property, or environment. Crowdsourcing connects unobtrusive and ubiquitous sensing technologies, advanced data management and analytics models, and novel visualization methods, to create solutions that improve urban environment, human life quality, and city operation systems. The crowdsourcing on social media can be used to detect and analyze urban emergency events. In this paper, in order to detect and describe the real‐time urban emergency event, the knowledge base model is proposed. The crowdsourcing‐based knowledge base model is firstly introduced, which uses the information from social media. Secondly, the basic definition of the proposed knowledge base model including keywords, patterns, positive sentences, and knowledge graph is given. Thirdly, the temporal information is added to the proposed knowledge base model. The case study on real data sets shows that the proposed algorithm has good performance and high effectiveness in the analysis and detection of emergency events. Copyright © 2016 John Wiley & Sons, Ltd.
Wet‐Chemically Synthesized Colloidal Semiconductor Nanostructures as Optical Gain Media
Authors: Ong Xuanwei , Zhi Min , Gupta Shashank , Chan Yinthai 
Published: January 2016

AbstractAn overview on the development of wet‐chemically synthesized semiconductor nanostructures as optical gain materials is presented in this Review, beginning with the first demonstration of amplified spontaneous emission in zero‐dimensional quantum dots and evolving to more sophisticated heterostructures such as one‐dimensional core‐seeded nanorods, branched core‐seeded tetrapods and two‐dimensional nanoplatelets. The advantages and challenges of utilizing strongly quantum‐confined colloidal semiconductor materials as gain media are discussed, and a concerted effort is made to elaborate on how the progression towards more structurally complex architectures has allowed for dramatic improvements in performance and stability over the archetypal quantum dot.
Gas‐Phase Infrared Spectroscopy of Substituted Cyanobutadiynes: Roles of the Bromine Atom and Methyl Group as Substituents
Authors: Montero‐Campillo M. Merced , Mó Otilia , Yáñez Manuel , Benidar Abdessamad , Rouxel Cédric , Kerisit Nicolas , Trolez Yann , Guillemin Jean‐Claude 
Published: January 2016

AbstractThe IR spectra of 5‐bromo‐2,4‐pentadiynenitrile (Br−C≡C−C≡C−CN) and 2,4‐hexadiynenitrile (CH3−C≡C−C≡C−CN), a compound of interstellar interest, have been recorded within the 4000–500 cm−1spectral region and calculated by means of high‐level ab initio and density functional calculations. Although the calculated structures of both compounds are rather similar, there are very subtle differences, mainly in the strength of the C≡C bond not directly bound to the substituent. These subtle bonding differences are reflected in small, but not negligible, differences in the electron density at the corresponding bond critical points, and, more importantly, are reflected in the IR spectra. Indeed, the IR spectrum for the bromine derivative presents two well‐differentiated strong bands around 2250 cm−1, whereas for the methyl derivative both absorptions coalesce in a single band. These bands correspond in both cases to the coupling between C≡C and C≡N stretching displacements. A third, very weak, band also associated with C≡C and C≡N coupled stretches is observed for the bromine derivative, but not for the methyl one, owing to its extremely low intensity.
First‐person Pronoun Use in Spoken Language as a Predictor of Future Depressive Symptoms: Preliminary Evidence from a Clinical Sample of Depressed Patients
Authors: Zimmermann Johannes , Brockmeyer Timo , Hunn Matthias , Schauenburg Henning , Wolf Markus 
Published: January 2016

Several theories suggest that self‐focused attention plays an important role in the maintenance of depression. However, previous studies have predominantly relied on self‐report and laboratory‐based measures such as sentence completion tasks to assess individual differences in self‐focus. We present a prospective, longitudinal study based on a sample of 29 inpatients with clinical depression, investigating whether an implicit, behavioural measure of self‐focused attention, i.e., the relative frequency of first‐person singular pronouns in naturally spoken language, predicts depressive symptoms at follow‐up over and above initial depression. We did not find a significant cross‐sectional association between depressive symptoms and first‐person singular pronoun use. However, first‐person singular pronoun use significantly predicted depressive symptoms approximately 8 months later, even after controlling for depressive symptoms at baseline or discharge. Exploratory analyses revealed that this effect was mainly driven by the use of objective and possessive self‐references such as ‘me’ or ‘my’. Our findings are in line with theories that highlight individual differences in self‐focused attention as a predictor of the course of depression. Moreover, our findings extend previous work in this field by adopting an unobtrusive approach of non‐reactive assessment, capturing naturally occurring differences in self‐focused attention. We discuss possible clinical applications of language‐based assessments and interventions with regard to self‐focus. Copyright © 2016 John Wiley & Sons, Ltd.Key Practitioner Message

Naturally occurring individual differences in first‐person singular pronoun use provide an unobtrusive way to assess patients' automatic self‐focused attention.
Frequent use of first‐person singular pronouns predicts an unfavourable course of depression.
Self‐focused language might offer innovative ways of tracking and targeting therapeutic change.
Compositional and Interfacial Modification of Cu2ZnSn(S,Se)4 Thin‐Film Solar Cells Prepared by Electrochemical Deposition
Authors: Seo Se Won , Jeon Jong‐Ok , Seo Jung Woo , Yu Yi Yin , Jeong Jeung‐hyun , Lee Doh‐Kwon , Kim Honggon , Ko Min Jae , Son Hae Jung , Jang Ho Won , Kim Jin Young 
Published: January 2016

AbstractA highly efficient Cu2ZnSn(S,Se)4 (CZTSSe)‐based thin‐film solar cell (9.9 %) was prepared using an electrochemical deposition method followed by thermal annealing. The Cu–Zn–Sn alloy films was grown on a Mo‐coated glass substrate using a one‐pot electrochemical deposition process, and the metallic precursor films was annealed under a mixed atmosphere of S and Se to form CZTSSe thin films with bandgap energies ranging from 1.0 to 1.2 eV. The compositional modification of the S/(S+Se) ratio shows a trade‐off effect between the photocurrent and photovoltage, resulting in an optimum bandgap of roughly 1.14 eV. In addition, the increased S content near the p–n junction reduces the dark current and interface recombination, resulting in a further enhancement of the open‐circuit voltage. As a result of the compositional and interfacial modification, the best CZTSSe‐based thin‐film solar cell exhibits a conversion efficiency of 9.9 %, which is among the highest efficiencies reported so far for electrochemically deposited CZTSSe‐based thin‐film solar cells.
Hawksbill turtle terra incognita: conservation genetics of eastern Pacific rookeries
Authors: Gaos Alexander R. , Lewison Rebecca L. , Liles Michael J. , Gadea Velkiss , Altamirano Eduardo , Henríquez Ana V. , Torres Perla , Urteaga José , Vallejo Felipe , Baquero Andres , LeMarie Carolina , Muñoz Juan Pablo , Chaves Jaime A. , Hart Catherine E. , Peña de Niz Alejandro , Chácon Didiher , Fonseca Luis , Otterstrom Sarah , Yañez Ingrid L. , LaCasella Erin L. , Frey Amy , Jensen Michael P. , Dutton Peter H. 
Published: January 2016

AbstractPrior to 2008 and the discovery of several important hawksbill turtle (Eretmochelys imbricata) nesting colonies in the EP (Eastern Pacific), the species was considered virtually absent from the region. Research since that time has yielded new insights into EP hawksbills, salient among them being the use of mangrove estuaries for nesting. These recent revelations have raised interest in the genetic characterization of hawksbills in the EP, studies of which have remained lacking to date. Between 2008 and 2014, we collected tissue samples from 269 nesting hawksbills at nine rookeries across the EP and used mitochondrial DNA sequences (766 bp) to generate the first genetic characterization of rookeries in the region. Our results inform genetic diversity, population differentiation, and phylogeography of the species. Hawksbills in the EP demonstrate low genetic diversity: We identified a total of only seven haplotypes across the region, including five new and two previously identified nesting haplotypes (pooled frequencies of 58.4% and 41.6%, respectively), the former only evident in Central American rookeries. Despite low genetic diversity, we found strong stock structure between the four principal rookeries, suggesting the existence of multiple populations and warranting their recognition as distinct management units. Furthermore, haplotypes EiIP106 and EiIP108 are unique to hawksbills that nest in mangrove estuaries, a behavior found only in hawksbills along Pacific Central America. The detected genetic differentiation supports the existence of a novel mangrove estuary “reproductive ecotype” that may warrant additional conservation attention. From a phylogeographic perspective, our research indicates hawksbills colonized the EP via the Indo‐Pacific, and do not represent relict populations isolated from the Atlantic by the rising of the Panama Isthmus. Low overall genetic diversity in the EP is likely the combined result of few rookeries, extremely small reproductive populations and evolutionarily recent colonization events. Additional research with larger sample sizes and variable markers will help further genetic understanding of hawksbill turtles in the EP.
Importance of soil‐water to the Caatinga biome, Brazil
Authors: Alves Rodrigues Pinheiro Everton , Metselaar Klaas , de Jong van Lier Quirijn , de Araújo José Carlos 
Published: January 2016

AbstractNortheastern Brazil is hydrologically characterized by recurrent droughts leading to a highly vulnerable natural water resource system. The region contains the Caatinga biome, covering an area of approximately 800 000 km2. To increase insight in water balance components for this sparsely studied ecosystem, hydrology simulations were performed with the SWAP (Soil Water Atmosphere Plant) model for a Caatinga basin of 12 km2. SWAP model was developed to simulate hydrology under short‐cycle crops, and its parameterization and validation to a diverse ecosystem is a novelty. The validation of the simulations was performed using a dataset of daily soil water content measurements taken at 0.2 m depth in three sites in the basin in the period from 2004 to 2012. Average Nash–Sutcliffe efficiency coefficient for these simulations was 0.57 and root mean square error of prediction was 4.3%. The results of the simulations suggest that water components do not diverge statistically among different sites of the biome. The Caatinga biome returns 75% (±17%) of the annual precipitation to the atmosphere, whereas the partitioning of total evapotranspiration into its components (transpiration, evaporation and interception) on annual basis accounts for 41% (±7%), 40% (±6%) and 19% (±3%) respectively. Regarding water availability, the surface soil layer (0.0–0.2 m) is the most important layer in the rooted profile, supplying up to 90% of atmospheric water demand. According to our analysis performed on daily basis, evapotranspiration and air temperature are most sensitive to soil moisture during the periods June–September and December–January. Copyright © 2016 John Wiley & Sons, Ltd.
The Influence of Imidazolylidene Ligands with Bulky Resorcinarenyl Substituents on Catalysts for ­Suzuki–Miyaura Coupling
Authors: Kaloğlu Murat , Sémeril David , Brenner Eric , Matt Dominique , Özdemir İsmail , Toupet Loïc 
Published: January 2016

AbstractPEPPSI‐type imidazolylidene palladium complexes having their carbenic ring N‐substituted with an aryl ring and a cavity‐shaped unit [25,26,27,28‐tetrapropyloxycalix[4]aren‐5‐yl or 6(10),12(16),18(22)‐tetramethylenedioxy‐2,8,14,20‐tetrapentylresorcin[4]aren‐5‐yl (TPR)] have been prepared and assessed in Suzuki–Miyaura cross‐couplings. Remarkable efficiency in the coupling of aryl chlorides with sterically hindered arylboronic acids was observed for the carbene ligand having its N atoms (N1, N2) substituted by a mesityl and a TPR group, respectively. This good performance possibly arises from strong steric interactions between the pentyl‐substituted cavitand unit and the catalytic centre, which favours reductive elimination. Two of the imidazolium salts used for complex synthesis were characterised by X‐ray diffraction analysis.
Chitooligosaccharide Synthesis Using an Ionic Tag
Authors: Gillard Laura , Tran Anh‐Tuan , Boyer François‐Didier , Beau Jean‐Marie 
Published: January 2016

AbstractAn environmentally improved synthesis of the N‐differentiated chitotetrasaccharide CO‐IV‐(NH2), a key intermediate for the preparation of lipochitooligosaccharides and the TMG‐chitotriomycin, is reported based on a chromatography‐free ionic‐liquid tagging approach. The method involves the glycosylation of ionic‐liquid‐tagged acceptors with thioglucosamine donors leading to the stereoselective formation of β‐(1→4)‐linked glucosamine‐containing oligomers.
A Protocol for Annotating Parser Differences
Authors: Bruno James V. , Cahill Aoife , Gyawali Binod 
Published: January 2016

AbstractWe present an annotation scheme for classifying differences in the outputs of syntactic constituency parsers when a gold standard is unavailable or undesired, as in the case of texts written by nonnative speakers of English. We discuss its automated implementation and the results of a case study that uses the scheme to choose a parser best suited to a downstream task that processes nonnative written text.
Terpene hydroperoxide chemistry in citrus oils; reaction with endogenous aldehydes to form peroxyhemiacetals
Authors: Calandra Michael J. , Wang Ying , Impellizzeri John , Frank Sandy , de Saint Laumer Jean‐Yves , Leocata Sabine , Chaintreau Alain 
Published: January 2016

AbstractLimonene and linalool are major components in many essential oils, and both readily autoxidize to form terpene hydroperoxides. These hydroperoxides are sensitizers capable of causing allergic contact dermatitis, so it is important to have accurate analytical methods for them in perfumery raw materials and formulations. This laboratory has previously reported a method to detect terpene hydroperoxides based on high‐performance liquid chromatography using a post‐column chemiluminescence reaction. Using this method, it was shown that peroxyhemiacetals formed by reaction of terpene hydroperoxides with endogenous aldehydes exist as components in common citrus oils. This was further substantiated by NMR analysis using a variety of techniques. Some percentage of the peroxyhemiacetals can dissociate back to the corresponding parent terpene hydroperoxides and aldehydes under certain conditions which are currently not fully understood, even if the polarity of the solvating environment appear to be important. However, gas chromatographic analysis indicates that there may also be alternative degradation pathways. The presence and chemical behaviour of peroxyhemiacetals must be studied further and analytically accounted for, if meaningful results are to be obtained in the context of the dermal sensitizing potency of a sample. Copyright © 2016 John Wiley & Sons, Ltd.
Targeting glioblastoma stem cells (GSCs) with peroxisome proliferator‐activated receptor gamma (PPARγ) ligands
Authors: Im Chang‐Nim 
Published: January 2016

AbstractGlioblastoma multiforme (GBM), also known as glioblastoma, is the most common and aggressive brain tumor. GBM has a poor survival rate and high resistance to standard therapy, leading to recurrence and metastasis to adjacent normal regions. Glioblastoma stem cells (GSCs) are regarded as an emerging target for therapy of GBM. Peroxisome proliferator‐activated receptor gamma (PPARγ) is a nuclear receptor that functions in a variety of cancers and in normal adipocyte differentiation. The newly discovered connection between PPARγ ligands and cancer stem cells (CSCs) raises important implications for the potential therapeutic use of synthetic PPARγ ligands, such as thiazolidinediones (TZDs), in glioblastoma. Here, I hypothesize that synthetic PPARγ ligands serve to modulate stemness‐related molecules and several signaling pathway in GSCs and I propose potential experimental approaches to investigate the effects of these ligands on GSCs in vitro and in vivo. © 2016 IUBMB Life, 68(3):173–177, 2016