bluuebunny/crossref_metadata_2025 huggingface dataset:
Discrimination of mushroom disease‐related mould species based solely on unprocessed chromatograms
Authors: Radványi Dalma , Gere Attila , Sipos László , Kovács Sándor , Jókai Zsuzsa , Fodor Péter
Published: January 2016

Agaricus bisporus A15 species (bisporic button mushroom) and its two main mould diseases (Mycogone perniciosa and Trichoderma aggressivum) were analysed using headspace solid‐phase microextraction sampling coupled with gas chromatograpy–mass spectrometry analysis. The presence or absence of mushroom disease‐related moulds can easily be detected and monitored in the air by headspace solid‐phase microextraction gas chromatograpy–mass spectrometry via their emitted microbial volatile organic compounds. Detrended fluctuation analysis (DFA) was first applied to distinguish different mould samples based on their unprocessed total ion chromatograms, which describe the air polluted by microbial volatile organic compounds. A two‐dimensional plot, generated from the results of DFA, visualizes the relationship of the analysed samples. The pattern found by DFA was compared with the pattern found by the traditionally applied principal component analysis. Cluster analysis (using Euclidean distance and Ward's method) of the principal component analysis scores and DFA coefficients showed characteristic groupings. A methodology is introduced, which uses the unprocessed chromatogram, without any time‐consuming feature extraction and can indicate the presence of infected samples. The proposed methodology is able to give a support to the mushroom growers to indicate different mushroom disease‐related infection via air monitoring. Additionally, DFA is a sample‐independent and universal method. Hence, it can be also applied to distinguish unprocessed chromatograms produced by any other analytical equipment. Copyright © 2016 John Wiley & Sons, Ltd.
ChemInform Abstract: Enhancement of the Thermoelectric Properties of MnSb2Se4 Through Cu Resonant Doping.
Authors: Zhao Huaizhou , et al.
Published: January 2016

Single phases of Mn1‐xCuxSb2Se4 (x = 0‐0.35) thermoelectric materials are prepared by heating stoichiometric mixtures of the elements (evacuated quartz tubes, 1.
ChemInform Abstract: Single Crystal Growth, Structural Characteristics and Magnetic Properties of Chromium Substituted M‐Type Ferrites.
Authors: Niewa Rainer , et al.
Published: January 2016

Single crystals of SrFe12‐xCrxO19 (I) and BaFe12‐xCrxO19 (II) ferrites are grown using two different fluxes, Na2CO3 (30 wt%) and mixtures of SrCl2 and BaCl2, further containing Fe2O3, Cr2O3, and BaCO3 (Pt crucible, 1260 °C, 3 h or 1310 °C, 40 h, resp.).
ChemInform Abstract: BiOI Solar Cells.
Authors: Sfaelou S. , Raptis D. , Dracopoulos V. , Lianos P.
Published: January 2016

BiOI nanoflakes combined with a thin nanoparticulate TiO2 layer form a visible‐light responsive photoanode, which can be employed with a liquid electrolyte solar cell.
ChemInform Abstract: “Water‐in‐Salt” Electrolyte Enables High‐Voltage Aqueous Lithium‐Ion Chemistries.
Authors: Suo Liumin , Borodin Oleg , Gao Tao , Olguin Marco , Ho Janet , Fan Xiulin , Luo Chao , Wang Chunsheng , Xu Kang
Published: January 2016

Highly concentrated aqueous solutions of LiN(SO2CF3)2 (5—20 M at 25 °C) are used as an electrolyte in a CR2032‐type coin cell containing either LiMn2O4 or LiNi0.8Co0.15Al0.05O2 as the cathode and Cu‐leached Mo6S8 Chevrel phase as the anode separated by glass fiber fabrics.
ChemInform Abstract: Electrochemical Oxidation of 243Am(III) in Nitric Acid by a Terpyridyl‐Derivatized Electrode.
Authors: Dares Christopher J. , Lapides Alexander M. , Mincher Bruce J. , Meyer Thomas J.
Published: January 2016

A high‐surface area, tin‐doped indium oxide electrode surface‐derivatized with a terpyridine ligand is used to oxidize Am(III) to Am(IV) and Am(VI) in nitric acid.
ChemInform Abstract: Perovskites with the Framework‐Forming Xenon.
Authors: Britvin Sergey N. , Kashtanov Sergei A. , Krzhizhanovskaya Maria G. , Gurinov Andrey A. , Glumov Oleg V. , Strekopytov Stanislav , Kretser Yury L. , Zaitsev Anatoly N. , Chukanov Nikita V. , Krivovichev Sergey V.
Published: January 2016

The new double‐perovskites KM(XeNaO6) (M: Ca, Sr, Ba) are obtained from the hydrothermal reactions of equimolar amounts of alkaline earth nitrates and Na4XeO6 in strong alkaline solution (10N KOH, autoclave, 170 °C, 24 h).
ChemInform Abstract: The Catalytic Asymmetric Synthesis of Tetrahydropyridazines via Inverse Electron‐Demand Aza‐Diels—Alder Reaction of Enol Ethers with Azoalkenes.
Authors: Wei Liang , Wang Chun‐Jiang
Published: January 2016

The scalable reaction provides the products in high yields and with high enantiomeric excesses.
ChemInform Abstract: Phosphido‐ and Amidozirconocene Cation‐Based Frustrated Lewis Pair Chemistry.
Authors: Normand Adrien T. , Daniliuc Constantin G. , Wibbeling Birgit , Kehr Gerald , Le Gendre Pierre , Erker Gerhard
Published: January 2016

Novel cationic Zr phosphido and amido complexes catalyze the hydrogenation of electron‐rich olefins and alkynes under mild conditions.
ChemInform Abstract: Amination of ω‐Functionalized Aliphatic Primary Alcohols by a Biocatalytic Oxidation—Transamination Cascade.
Authors: Pickl Mathias , Fuchs Michael , Glueck Silvia M. , Faber Kurt
Published: January 2016

A five‐enzyme cascade for the amination of primary alcohols by coupling a long‐chain alcohol oxidase with an ω‐transaminase is successfully extended to also encompass nonactivated fatty alcohols as substrates.
ChemInform Abstract: Nucleophilic Iododifluoromethylation of Aldehydes Using Bromine/Iodine Exchange.
Authors: Levin Vitalij V. , Smirnov Vladimir O. , Struchkova Marina I. , Dilman Alexander D.
Published: January 2016

A method for the iododifluoromethylation of aldehydes using (bromodifluoromethyl)trimethylsilane is described.
ChemInform Abstract: Transition‐Metal‐Free Synthesis of Polysubstituted Cyclopropane Derivatives from N‐Tosylhydrazones and Their Cytotoxic Activities.
Authors: Lawson Marie , Bignon Jerome , Brion Jean‐Daniel , Hamze Abdallah , Alami Mouad
Published: January 2016

The isoCA4 analogue (XII) is found to exhibit good antiproliferative activity against HCT116 cells.
ChemInform Abstract: Acetoxy‐Substituted Cyclopropane Dicarbonyls as Stable Donor—Acceptor—Acceptor Cyclopropanes.
Authors: Reyes Yahaira , Mead Keith T.
Published: January 2016

The rhodium‐catalyzed reaction of aryl‐substituted α‐diazo‐β‐keto esters with vinyl acetate is shown to form acyloxy‐substituted donor‐acceptor‐acceptor cyclopropanes, and depending on the aryl substituent the products are obtained in low to high yields.
ChemInform Abstract: Rh(III)‐Catalyzed Aldehyde C—H Bond Functionalization of Salicylaldehydes with Arylboronic Acids.
Authors: Wang Dahai , Cui Sunliang
Published: January 2016

The reaction tolerates various functional groups.
ChemInform Abstract: Alkynylation of Tertiary Cycloalkanols via Radical C—C Bond Cleavage: A Route to Distal Alkynylated Ketones.
Authors: Wang Shun , Guo Li‐Na , Wang Hua , Duan Xin‐Hua
Published: January 2016

The tandem alkynylation/ring opening reaction of cyclobutanols (I) and (VII) with hypervalent iodide compound (II) proceeds readily in the presence of Na2S2O8 to afford alkynylated ketones (III) and (VIII), respectively.
ChemInform Abstract: Visible Light Mediated Reductive Cleavage of C—O Bonds Accessing α‐Substituted Aryl Ketones.
Authors: Speckmeier Elisabeth , Padie Clement , Zeitler Kirsten
Published: January 2016

A mild and effective method for the photocatalytic deoxygenation of simple O‐acrylbenzoin and ‐acyloin derivatives is developed.
ChemInform Abstract: ZrO2 Nanoparticles as a Reusable Solid Dual Acid—Base Catalyst for Facile One‐Pot Synthesis of Multi‐Functionalized Spirooxindole Derivatives under Solvent Free Condition.
Authors: Bodhak Chandan , Kundu Ashis , Pramanik Animesh
Published: January 2016

A convenient and eco‐friendly method for the simple two‐step one‐pot synthesis of the title compounds from isatins, malononitrile, cyclohexane 1,3‐diones/pyrazoles is developed.
ChemInform Abstract: Synthesis of Functionalized Tryptamines by Broensted Acid Catalyzed Cascade Reactions.
Authors: Melis Nicola , Secci Francesco , Boddaert Thomas , Aitken David J. , Frongia Angelo
Published: January 2016

Solvent‐free PTSA‐catalyzed reaction between 2‐hydroxycyclobutanone and N‐alkylanilines gives tryptamine derivatives in low to good yields.
ChemInform Abstract: Efficient Pd‐Catalyzed Domino Synthesis of 1‐Phenyl‐1H‐indol‐2‐amine and 5‐Amino‐indolo[1,2‐a]quinazoline Derivatives.
Authors: Jiang Min , Xiang Haoyue , Zhu Fangxia , Xu Xing , Deng Lianfu , Yang Chunhao
Published: January 2016

The title compounds are prepared from 2‐bromophenylmalononitriles and anilines via Buchwald—Hartwig coupling and base‐promoted intramolecular nucleophilic reaction.
ChemInform Abstract: One‐Pot Three‐Component Route for the Synthesis of Rhodanine Derivatives in Water.
Authors: Ziyaei Halimehjani Azim , Hosseinkhany Samaneh
Published: January 2016

Various rhodanine derivatives are efficiently and environmentally friendly synthesized from primary amines, carbon disulfide, and maleic anhydride by a sequential Michael addition‐intramolecular amide bond formation.
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

A 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

Refluxing 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

The 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

The 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

2‐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

The 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

The 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).
ChemInform Abstract: Aminoboration: Addition of B—N σ Bonds Across C—C π Bonds.
Authors: Chong Eugene , Blum Suzanne A.
Published: January 2016

Gold‐catalyzed aminoboration of intermediary N‐borylated ortho‐alkynyl anilines leads to 3‐borylated indoles.
ChemInform Abstract: Studies on the Pd‐Catalyzed Dimerization of Silacyclobutanes.
Authors: Aborways Marwa M. , Moran Wesley J.
Published: January 2016

The dimerization of silacyclobutanes is possible at room temperature in presence of catalytic amounts of the palladium complex.
ChemInform Abstract: Kadcoccinones A—F, New Biogenetically Related Lanostane‐Type Triterpenoids with Diverse Skeletons from Kadsura coccinea.
Authors: Zhang Yong‐Hui , et al.
Published: January 2016

Six triterpenoids are isolated and the absolute configurations of some of them are determined.
ChemInform Abstract: Cephalofortunone, a Structurally Unique Cephalotaxus Alkaloid from Cephalotaxus fortune Hook. f.
Authors: Li Hanxiang , Wen Yanhua , Wang Feifei , Wu Ping , Wei Xiaoyi
Published: January 2016

isolation and structure elucidation
ChemInform Abstract: Metal Hydrides: an Innovative and Challenging Conversion Reaction Anode for Lithium‐Ion Batteries
Authors: Aymard Luc , Oumellal Yassine , Bonnet Jean‐Pierre
Published: January 2016

Review: 78 refs.
ChemInform Abstract: Trace Amounts of Second Metal Elements Can Play a Key Role in the Generation of Organometallic Compounds
Authors: Takai Kazuhiko
Published: January 2016

Review: [80 refs.
ChemInform Abstract: Dinuclear Manganese, Iron, Chromium, and Cobalt Complexes Derived from Aroylhydrazone Ligands: Synthetic Strategies, Crystal Structures, and Magnetic Properties
Authors: Mameri Samir , Specklin David , Welter Richard
Published: January 2016

Review: 86 refs.
ChemInform Abstract: Diastereoselective Substrate‐Controlled Transition‐Metal‐Catalyzed C—H Activation: An Old Solution to a Modern Synthetic Challenge
Authors: Wencel‐Delord Joanna , Colobert Francoise
Published: January 2016

Review: [41 refs.
ChemInform Abstract: Natural Diels—Alderases: Elusive and Irresistable
Authors: Klas Kimberly , Tsukamoto Sachiko , Sherman David H. , Williams Robert M.
Published: January 2016

Review: [48 refs.
ChemInform Abstract: From Fragmentation to Construction — From Void to Massive: Fascination with Organic Mass Spectrometry and the Synthesis of Novel Three‐Dimensional Polycyclic Aromatic Hydrocarbons
Authors: Kuck Dietmar
Published: January 2016

Review: [228 refs.
ChemInform Abstract: Origins of the Indenofluorene Project: Serendipity and Other Surprises
Authors: Haley Michael M.
Published: January 2016

Review: [22 refs.
ChemInform Abstract: Towards Sustainable Fuels and Chemicals Through the Electrochemical Reduction of CO2: Lessons from Water Electrolysis
Authors: Martin Antonio J. , Larrazabal Gaston O. , Perez‐Ramirez Javier
Published: January 2016

Review: 172 refs.
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

A 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

For 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

Social 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

An 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

An 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

The 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

A 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

Prior 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

Northeastern 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

PEPPSI‐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.
Mononuclear Iron‐(hydro/semi)quinonate Complexes Featuring Neutral and Charged Scorpionates: Synthetic Models of Intermediates in the Hydroquinone Dioxygenase Mechanism
Authors: Baum Amanda E. , Lindeman Sergey V. , Fiedler Adam T.
Published: January 2016

Neutral and anionic scorpionate ligands have been employed to generate active‐site models of hydroquinone dioxygenases (HQDOs). While the nonheme Fe center in nearly all HQDOs is coordinated to one Asp (or Glu) and two His residues, 1,2‐gentisate dioxygenase (GDO) is unique in featuring a three His triad instead. A synthetic GDO model was therefore prepared with the neutral tris(4,5‐diphenyl‐1‐methylimidazol‐2‐yl)phosphine (Ph2TIP) ligand. The gentisate substrate was mimicked with the bidentate ligand 2‐(1‐methylbenzimidazol‐2‐yl)hydroquinonate (BIHQ). X‐ray diffraction analysis of the resulting complex, [Fe(Ph2TIP)(BIHQ)]OTf (1a), revealed a distorted square‐pyramidal geometry. Structural and electrochemical data collected for 1a were compared to those previously reported for [Fe(Ph2Tp)(BIHQ)] (1b), which features an anionic hydridotris(3,5‐diphenylpyrazol‐1‐yl)borate (Ph2Tp) ligand. Oxidation of 1a and 1b provides the corresponding FeIII complexes (2a/2b) and the crystal structure of 2b is reported. Both complexes undergo reversible deprotonation to yield the brown chromophores, 3a and 3b. Detailed studies of 3a and 3b with spectroscopic (UV/Vis absorption, EPR, resonance Raman) and computational methods determined that each complex consists of a high‐spin FeII center ferromagnetically coupled to a p‐semiquinonate radical (BISQ). The (de)protonation‐induced valence tautomerization described here resembles key steps in the putative HQDO mechanism.
Chitooligosaccharide Synthesis Using an Ionic Tag
Authors: Gillard Laura , Tran Anh‐Tuan , Boyer François‐Didier , Beau Jean‐Marie
Published: January 2016

An 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

We 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

Limonene 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

Glioblastoma 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
Quantitative phase measurements of tendon collagen fibres
Authors: Maciel Dylan , Veres Samuel P. , Kreuzer Hans Juergen , Kreplak Laurent
Published: January 2016

Collagen is the main component of structural mammalian tissues. In tendons, collagen is arranged into fibrils with diameters ranging from 30 nm to 500 nm. These fibrils are further assembled into fibres several micrometers in diameter. Upon excessive thermal or mechanical stress, damage may occur in tendons at all levels of the structural hierarchy. At the fibril level, reported damage includes swelling and the appearance of discrete sites of plastic deformation that are best observed at the nanometer‐scale using, for example, scanning electron microscopy. In this paper, digital in‐line holographic microscopy is used for quantitative phase imaging to measure both the refractive index and diameter of collagen fibres in a water suspension in the native state, after thermal treatments, and after mechanical overload. Fibres extracted from tendons and subsequently exposed to 70 °C for 5, 15, or 30 minutes show a significant decrease in refractive index and an increase in diameter. A significant increase in refractive index is also observed for fibres extracted from tendons that were subjected to five tensile overload cycles.

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Life Course Dietary Patterns and Bone Health in Later Life in a British Birth Cohort Study
Authors: Ward Kate A , Prentice Ann , Kuh Diana L , Adams Judith E , Ambrosini Gina L
Published: January 2016

Evidence for the contribution of individual foods and nutrients to bone health is weak. Few studies have considered hypothesis-based dietary patterns and bone health. We investigated whether a protein-calcium-potassium–rich (PrCaK-rich) dietary pattern over the adult life course, was positively associated with bone outcomes at 60 to 64 years of age. Diet diaries were collected at ages 36, 46, 53, and 60 to 64 years in 1263 participants (661 women) from the MRC National Survey of Health and Development. DXA and pQCT measurements were obtained at age 60 to 64 years, including size-adjusted bone mineral content (SA-BMC) and volumetric bone mineral density (vBMD). A food-based dietary pattern best explaining dietary calcium, potassium, and protein intakes (g/1000 kcal) was identified using reduced rank regression. Dietary pattern Z-scores were calculated for each individual, at each time point. Individual trajectories in dietary pattern Z-scores were modeled to summarize changes in Z-scores over the study period. Regression models examined associations between these trajectories and bone outcomes at age 60 to 64 years, adjusting for baseline dietary pattern Z-score and other confounders. A consistent PrCaK-rich dietary pattern was identified within the population, over time. Mean ± SD dietary pattern Z-scores at age 36 years and age 60 to 64 years were –0.32 ± 0.97 and 2.2 ± 1.5 (women) and –0.35 ± 0.98 and 1.7 ± 1.6 (men), respectively. Mean trajectory in dietary pattern Z-scores ± SD was 0.07 ± 0.02 units/year. Among women, a 0.02-SD unit/year higher trajectory in dietary pattern Z-score over time was associated with higher SA-BMC (spine 1.40% [95% CI, 0.30 to 2.51]; hip 1.35% [95% CI, 0.48 to 2.23]), and vBMD (radius 1.81% [95% CI, 0.13 to 3.50]) at age 60 to 64 years. No statistically significant associations were found in men. During adulthood, an increasing score for a dietary pattern rich in protein, calcium, and potassium was associated with greater SA-BMC at fracture-prone sites in women. This study emphasizes the importance of these nutrients, within the context of the whole diet, to bone health. © 2016 The Authors. Journal of Bone and Mineral Research published by Wiley Periodicals, Inc. on behalf of American Society for Bone and Mineral Research (ASBMR).
Enhancement of functional MRI signal at high‐susceptibility regions of brain using simultaneous multiecho multithin‐slice summation imaging technique
Authors: Kim Tae , Zhao Tiejun , Bae Kyongtae T.
Published: January 2016

Purpose

To increase temporal‐signal‐to‐noise ratio (tSNR) and blood oxygen level‐dependent (BOLD) sensitivity at high‐susceptibility regions of the brain by means of a simultaneous multiecho multithin‐slice summation imaging technique.

Materials and Methods

The simultaneous multislice (SMS) technique was implemented with multiecho (SMSME) and multiecho with thin‐slice summation (SMSME‐thin) at 3T. Multiecho data were summated based on the local apparent
weighting factor. Ten healthy subjects were studied for the whole brain activation by breath‐holding. The tSNR values and the number of activated pixels acquired with SMSME and SMSME‐thin were compared with those acquired with the conventional gradient‐echo EPI in multiple brain regions

Results

SMS methods accelerated imaging time by 5‐fold as compared with the conventional method, resulting in the acquisition of three echoes and four thin‐slices during the same TR of 2.5 seconds. At high‐susceptibility regions, including the amygdala, inferior and middle temporal, and anterior frontal lobes, SMSME increased tSNR values by up to ∼80% and BOLD activation by up to ∼20% (paired t‐test, P < 0.05). SMSME‐thin further increased values as compared with SMSME (∼45% for tSNR and ∼20% for activation, P < 0.05).

Conclusion

The SMSME‐thin imaging technique enhanced the temporal‐signal‐to‐noise ratio and functional activation at high susceptibility regions of the brain. J. Magn. Reson. Imaging 2016;44:478–485.
Quantitative Investigation of the Electronic and Steric Influences on Ethylene Oligo/Polymerization by 2‐Azacyclyl‐6‐aryliminopyridylmetal (Fe, Co, and Cr) Complexes
Authors: Yi Jun , Yang Wenhong , Sun Wen‐Hua
Published: January 2016

The multiple linear regression analysis is performed to investigate both electronic and steric effects of ligands on the catalytic activities of the transition metal complexes in ethylene oligo/polymerization. The Hammett constants (F) and effective net charge (Q) are used to describe the electronic effect, meanwhile the steric effect is illustrated by open cone angle (θ) and bite angle (β). Four series of 2‐azacyclyl‐6‐aryliminopyridylmetal (Fe, Co, and Cr) analog complexes are calculated and the catalytic activity can be efficiently analyzed through taking both the electronic and steric effects into account. All of the obtained correlation coefficient R
2 values are over 0.93. The electronic effect is dominant in determining the catalytic activities for Fe and Co complexes; however, the steric effect plays a major role in controlling activities of Cr complexes.

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Deformation‐Induced Color Changes in Melt‐Processed Polyamide 12 Blends
Authors: Lavrenova Anna , Holtz Adrien , Simon Yoan C. , Weder Christoph
Published: January 2016

Blends of polyamide 12 and small amounts (0.15–1 wt%) of the excimer‐forming fluorescent dye 1,4‐bis(α‐cyano‐4‐octadecyloxystyryl)‐2,5‐dimethoxybenzene (C18‐RG) are produced by melt‐processing. While green monomer fluorescence from well‐individualized chromophores is observed at low dye concentration (0.15%), higher dye concentrations lead to aggregation of the dye so that the emission characteristics are dominated by red excimer fluorescence. Upon mechanical deformation of samples with appropriately selected dye content (0.25 wt%), a pronounced mechanochromic effect can be observed, which manifests itself through a mechanically induced transformation from excimer‐dominated to monomer‐rich emission. The monomer to excimer emission ratio IM/IE is increased by a factor of up to 2 in a step‐wise manner when samples are uniaxially deformed past the yield point.

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Utility of Electronic Medical Record for Recruitment in Clinical Research: from Rare to Common Disease
Authors: Thacker Tapan , Wegele Ashley R. , Pirio Richardson Sarah
Published: January 2016

Background

Recruitment for clinical trials is a major challenge. Movement disorders, which do not have associated diagnostic laboratory tests, might be especially prone to inaccuracy in coding. Our objective was to evaluate the accuracy of diagnostic codes such as cervical dystonia (CD) and Parkinson's disease (PD) in an electronic medical record (EMR).

Methods

Retrospective chart review was performed to confirm the International Classification of Diseases, Ninth Revision (ICD‐9) diagnoses of PD, CD, and diabetes mellitus type 2 (DM‐2), using published clinical diagnostic criteria (PD, CD) and hemoglobin A1c  ≥ 6.5 (DM‐2).

Results

A total of 421 charts (n = 129, n = 142, n = 150 for PD, CD, and DM‐2, respectively) were reviewed. The accuracy rate was different among all diseases examined, with an overall P < 0.001. In post hoc pairwise comparisons, the accuracy of DM‐2 diagnosis by ICD‐9 (96.6%) was greater than CD (88.0%) and both were greater than PD (55.0%) (P ≤ 0.003).

Conclusions

The use of an electronic medical‐record–based screening of clinically diagnosed diseases such as CD might be more accurate than previously thought, and it may identify potential clinical trial participants even without the availability of confirmatory laboratory tests.
Effect of Prepolymerization on the Kinetics of Ethylene Polymerization and Ethylene/1‐Hexene Copolymerization with a Ziegler–Natta Catalyst in Slurry Reactors
Authors: Chen Keran , Liu Boping , Soares João B. P.
Published: January 2016

The effect of prepolymerization on ethylene homopolymerization and ethylene/1‐hexene copolymerization with a commercial TiCl4/MgCl2catalyst was investigated and the apparent homo‐ and copolymerization rate constants were estimated by varying polymerization temperature, pressure, time, and 1‐hexene/ethylene molar ratio during the prepolymerization. The apparent rate constants for activation, propagation, and deactivation depend on the prepolymerization conditions, showing that the prepolymerization stage strongly regulates the behavior of the catalyst in the main polymerization. Interestingly, the surface morphology of the prepolymer particles correlates to and explains these changes in polymerization kinetics behavior.

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2‐Diazo‐1‐phenyl‐2‐((trifluoromethyl)sulfonyl)ethan‐1‐one: Another Utility for Electrophilic Trifluoromethylthiolation Reactions
Authors: Huang Zhongyan , Okuyama Kenta , Wang Chen , Tokunaga Etsuko , Li Xiaorui , Shibata Norio
Published: January 2016

2‐Diazo‐1‐phenyl‐2‐((trifluoromethyl)sulfonyl)ethan‐1‐one (diazo‐triflone) (2) is not only a building block but also a reagent. In this study, diazo‐triflone, which was originally used for the synthesis of β‐lactam triflones as a trifluoromethanesulfonyl (SO2CF3) building block under catalyst‐free thermal conditions, is redisclosed as an effective electrophilic trifluoromethylthiolation reagent under copper catalysis. A broad set of enamines, indoles, β‐keto esters, pyrroles, and anilines were nicely transformed into corresponding trifluoromethylthio (SCF3) compounds in good to high yields by diazo‐triflone under copper catalysis via an electrophilic‐type reaction. A coupling‐type trifluoromethylthiolation reaction of aryl iodides was also realized by diazo‐triflone in acceptable yields.