bluuebunny/crossref_metadata_2025_split huggingface dataset:
A hierarchical Bayesian model for regionalized seasonal forecasts: Application to low flows in the northeastern United States
Authors: Ahn Kuk‐Hyun , Palmer Richard , Steinschneider Scott 
Published: December 2016

AbstractThis study presents a regional, probabilistic framework for seasonal forecasts of extreme low summer flows in the northeastern United States conditioned on antecedent climate and hydrologic conditions. The model is developed to explore three innovations in hierarchical modeling for seasonal forecasting at ungaged sites: (1) predictive climate teleconnections are inferred directly from ocean fields instead of predefined climate indices, (2) a parsimonious modeling structure is introduced to allow climate teleconnections to vary spatially across streamflow gages, and (3) climate teleconnections and antecedent hydrologic conditions are considered jointly for regional forecast development. The proposed model is developed and calibrated in a hierarchical Bayesian framework to pool regional information across sites and enhance regionalization skill. The model is validated in a cross‐validation framework along with five simpler nested formulations to test specific hypotheses embedded in the full model structure. Results indicate that each of the three innovations improve out‐of‐sample summer low‐flow forecasts, with the greatest benefits derived from the spatially heterogeneous effect of climate teleconnections. We conclude with a discussion of possible model improvements from a better representation of antecedent hydrologic conditions at ungaged sites.
Interviewing Preschoolers: Response Biases to Yes–No Questions
Authors: B. Mehrani Mehdi , Peterson Carole 
Published: December 2016

SummaryIn the present study we examined the influence of question format and age on Iranian children's responses to various types of yes–no questions, to assess potential response biases. The participants were 177 2‐to 6‐year old native speakers of Persian who were asked both positively and negatively formulated yes–no questions about eight household objects. The results showed that children of different ages are influenced differently by the way questions are formulated. The findings also suggest that children display a compliance tendency when asked yes–no questions. That is, they tend to respond to yes–no questions in the direction implied by the question: ‘yes’ to positively worded questions and ‘no’ to negatively worded questions. This tendency, however, seems to grow weaker as children get older. Copyright © 2016 John Wiley & Sons, Ltd.
Fluorination‐Oxidation of 2‐Hydroxymethylindole Using Selectfluor
Authors: Jiang Xiaojian , Zhang Feng , Yang Junjie , Yu Pei , Yi Peng , Sun Yewei , Wang Yuqiang 
Published: December 2016

AbstractAn unexpected fluorination‐oxidation of 2‐hydroxymethylindole using selectfluor under mild condi‐tions without a catalyst is described. This new chemistry allows for efficient and rapid synthesis of various 3‐fluoroindole‐2‐aldehydes and novel quaternary 3‐fluoro‐3‐hydroxymethyl‐2‐oxindoles with up to 86% isolated yield.magnified image
Gold Particles Supported on Amino‐Functionalized Silica Catalyze Transfer Hydrogenation of N‐Heterocyclic Compounds
Authors: Vilhanová Beáta , van Bokhoven Jeroen A. , Ranocchiari Marco 
Published: December 2016

AbstractIn this work we demonstrate that exceptionally small gold particles (d=0.6±0.2 nm) supported on amino‐functionalized mesoporous silicate SBA‐15 are highly active in transfer hydrogenation of structurally diverse unsaturated N‐heterocyclic compounds. The heterocyclic ring is reduced selectively. The gold particles aggregate to a diameter of 4–5 nm in the presence of formic acid/triethylamine (hydrogen donor) during the first catalytic run. In subsequent cycles the nanoparticles maintain their size, yielding a very stable catalytic system that was recycled more than five times. In contrast, analogous SBA catalysts featuring larger (∼5–35 nm) gold particles are not active. Excess formic acid also leads to the formation of formamide derivatives of the products of hydrogenation, which can be deformylated quantitatively. Fifteen structurally different substrates, including the scaffolds of quinoline, isoquinoline, quinoxaline, acridine, phenanthroline, quinazoline, and phenanthridine are hydrogenated and deformylated to give the amine products in >90% overall yield. Deuterium labeling experiments indicate that 1,2‐addition with subsequent disproportionation of the formed intermediate is the preferred reaction path over the 1,4‐addition one, suggesting the participation of a gold hydride species.magnified image
1,1,3,3‐Tetratriflylpropen (TTP): eine starke, allylische C‐H‐Säure für die Brønsted‐ und Lewis‐Säure‐Katalyse
Authors: Höfler Denis , van Gemmeren Manuel , Wedemann Petra , Kaupmees Karl , Leito Ivo , Leutzsch Markus , Lingnau Julia B. , List Benjamin 
Published: December 2016

AbstractTetratriflylpropen (TTP) wurde als äußerst acide, allylische C‐H‐Säure für die Brønsted‐ und Lewis‐Säure‐Katalyse entwickelt. TTP ist leicht in zwei Synthesestufen zugänglich und zeigt außergewöhnliche katalytische Aktivitäten in Mukaiyama‐Aldol‐, Hosomi‐Sakurai‐ und Friedel‐Crafts‐Acylierungsreaktionen. Röntgenstrukturanalysen von TTP und dessen Salzen bestätigen die konzipierte allylische Struktur, welche die negative Ladung über vier Triflylgruppen delokalisiert. NMR‐Experimente, Aciditätsmessungen sowie theoretische Studien liefern weitere Erkenntnisse zur Rationalisierung der bemerkenswerten Reaktivität des TTP.
Chiral Self‐Sorting of [2+3] Salicylimine Cage Compounds
Authors: Beaudoin Daniel , Rominger Frank , Mastalerz Michael 
Published: December 2016

AbstractAn inherently chiral C3‐symmetric triaminotribenzotriquinacene was condensed in racemic and enantiomerically pure form with a bis(salicylaldehyde) to form [2+3] salicylimine cage compounds. Investigations on the chiral self‐sorting revealed that while entropy favors narcissistic self‐sorting in solution, selective social self‐sorting can be achieved by exploiting the difference in solubility between the homochiral and heterochiral cages. Gas sorption measurements further showed that seemingly small structural differences can have a significant impact on the surface area of microporous covalent cage compounds.
Working in the present moment: The impact of mindfulness on trainee psychotherapists’ experience of relational depth
Authors: Baker Stuart 
Published: December 2016

AbstractAimTo explore the lived experience and impact of a brief mindfulness meditation training intervention on trainee psychological therapists, in particular their experiences of relational depth, the cultivation of therapeutic qualities and their use of the self in the therapeutic relationship.MethodInterpretative phenomenological analysis was used to investigate participants’ lived experience of mindfulness. Fifteen participants completed an eight‐week MBSR/MBCT mindfulness training, contextualised for therapists, and eight were interviewed four months later.FindingsParticipants experienced a range of positive outcomes and meaningful effects at both a personal and professional level, with mindfulness appearing to facilitate ‘being versus doing’ qualities and the potential for enhanced relational depth.DiscussionThe findings indicate the potential of mindfulness as a complementary clinical training and were suggestive of a process model, where ‘therapist intrapersonal attunement’ facilitates ‘therapist‐client interpersonal attunement’ that in turn promotes ‘client self‐attunement’, in a ‘co‐created co‐meditation space’.
Synchronicity in the therapeutic setting: A survey of practitioners
Authors: Roxburgh Elizabeth C. , Ridgway Sophie , Roe Chris A. 
Published: December 2016

AbstractAimsIn this study, we intended to explore whether there are any differences between counsellors, psychologists and psychotherapists in the reporting and interpretation of synchronicity experiences (SEs) in the therapeutic setting. SEs are defined as psychologically meaningful connections between inner events (such as a thought, vision or feeling) and one or more external events occurring simultaneously or at a future point in time.DesignAn online survey link was emailed to a random sample of counsellors, psychologists and psychotherapists drawn from membership lists of the British Association for Counselling and Psychotherapy (BACP), British Psychological Society (BPS) and the United Kingdom Council for Psychotherapy (UKCP). The survey was designed to investigate the following research questions: do practitioners report SEs in the therapeutic setting? Are there any differences between types of practitioners in terms of explanations for SEs? Were SEs believed to be more likely to occur at certain points in therapy?ResultsA total of 226 respondents completed the survey. One hundred respondents (44%) reported that they had experienced synchronicity in the therapeutic setting, of whom 55 were psychotherapists, 21 counsellors and 24 psychologists. The majority of respondents (67%) felt that SEs could be useful for therapy. Statistical analysis revealed significant differences between practitioner types in their interpretation of SEs but no differences in perception of when synchronicity events were likely to occur.ConclusionFindings have important implications for how practitioners may respond to clients who report SEs and are discussed alongside suggestions for future research.
Accessing psychological therapies: Homeless young people's views on barriers and facilitators
Authors: Chaturvedi Surabhi 
Published: December 2016

AbstractAimHomeless young people have historically been regarded as hard to reach in the provision of counselling services. However, they are under‐represented in research that seeks to understand clients’ views on accessing counselling. This study aimed to bridge this gap by asking young, homeless people who had accessed counselling what they thought were the main barriers to counselling and how they could be overcome.MethodA qualitative methodology was adopted due to the aim of understanding participants’ experiences in depth. Semi‐structured interviews were conducted with six participants residing in hostels, and these were analysed using thematic analysis.FindingsThe barriers to counselling included resistance to opening up, stigma, denial about needing help, past experiences of help‐seeking and lack of familiarity with therapy. Facilitating factors included patience and consistency of offer, simple explanations and demystifying and normalising counselling to make it seem less threatening.ImplicationsThe findings overlap with previous research on barriers and facilitators with non‐homeless adolescents. In addition to this, by drawing on literature on homelessness, this article considers how some of these factors are further compounded for those who are also homeless. Some implications are considered for practitioners hoping to improve their engagement of young, homeless people in counselling. These are mainly in the areas of reframing the language in which counselling is promoted, greater flexibility, and providing opportunities to interact with counsellors. It also makes the case for a change in practitioner attitudes.
Consumer segments in social commerce: A latent class approach
Authors: Nadeem Waqar , Juntunen Mari , Juntunen Jouni 
Published: December 2016

AbstractSocial commerce is thriving; therefore, it becomes essential to recognize different types of social commerce shopper. In this study, we assume that social networking sites such as Facebook contain differently behaving consumer segments. Based on the assumption that the majority of social commerce shoppers are young adults, we are interested in identifying unobservable shopper segments that the young group may contain. A conceptual model has been tested that incorporates the psychological factor (trust), the unified theory of acceptance and the use of technology (UTAUT2), and behavioral aspects using mixture modeling techniques to reveal the unobservable consumer segments who have searched for clothing items through Facebook when shopping (n = 309). Three segments were found: social patrons (n = 219), wary explorers (n = 72), and sporadic explorers (n = 18). The study is a rare attempt to specifically categorize social commerce shopper segments by using mixture modeling techniques. The study offers further research avenues. Copyright © 2016 John Wiley & Sons, Ltd.
Fine‐Tuning of the Carbon Dioxide Capture Capability of Diamine‐Grafted Metal–Organic Framework Adsorbents Through Amine Functionalization
Authors: Jo Hyuna , Lee Woo Ram , Kim Nam Woo , Jung Hyun , Lim Kwang Soo , Kim Jeong Eun , Kang Dong Won , Lee Hanyeong , Hiremath Vishwanath , Seo Jeong Gil , Jin Hailian , Moon Dohyun , Han Sang Soo , Hong Chang Seop 
Published: December 2016

AbstractA combined sonication and microwave irradiation procedure provides the most effective functionalization of ethylenediamine (en) and branched primary diamines of 1‐methylethylenediamine (men) and 1,1‐dimethylethylenediamine (den) onto the open metal sites of Mg2(dobpdc) (1). The CO2 capacities of the advanced adsorbents 1‐en and 1‐men under simulated flue gas conditions are 19 wt % and 17.4 wt %, respectively, which are the highest values reported among amine‐functionalized metal‐organic frameworks (MOFs) to date. Moreover, 1‐den exhibits both a significant working capacity (12.2 wt %) and superb CO2 uptake (11 wt %) at 3 % CO2. Additionally, this framework showcases the superior recyclability; ultrahigh stability after exposure to O2, moisture, and SO2; and exceptional CO2 adsorption capacity under humid conditions, which are unprecedented among MOFs. We also elucidate that the performance of CO2 adsorption can be controlled by the structure of the diamine ligands grafted such as the number of amine end groups or the presence of side groups, which provides the first systematic and comprehensive demonstration of fine‐tuning of CO2 uptake capability using different amines.
Revisited generalized substitution theorem and its consequences for circuit analysis
Authors: Fontana Giuseppe 
Published: December 2016

SummaryThe Substitution Theorem (ST) is generally perceived as a mere theoretical curiosity. In this paper, a formerly derived generalized ST (GST) is carefully revised, which leads to both a Weak Revisited GST (RGST) and a Strong RGST (characterized by noticeably relaxed hypotheses with respect to the GST). Then, despite the common opinion about the ST, such RGSTs are showed to be powerful analytical tools to generalize, make rigorous and rigorously prove several classic results of Circuit Theory, namely: the Substitution Theorem for Multiterminal Circuits, the Source‐Shift Theorem, the Thévenin–Norton Theorem, the Miller Theorem alongside its Dual, and the Augmentation Principle. More specifically, the Substitution Theorem for Multiterminal Circuits is extended to an arbitrary set of sources, possibly including nullors. The Source‐Shift Theorem is rigorously derived, and possible related ambiguities are removed. Also, all possible hybrid forms of the Thévenin–Norton Theorem for multiports are individuated, and a precise operative procedure for calculating the relevant entities is provided for all cases. Furthermore, the Miller Theorem and its Dual are extended to an arbitrary number of variables and to multiports. As to the Augmentation Principle, the constraint regarding the linearity of the augmenting resistors is removed. Finally, thoroughly worked examples are given in which the aforementioned noteworthy consequences of the RGSTs are proved to be efficient tools for analysis by inspection of linear and nonlinear circuits. Among the other things, systematic pencil‐and‐paper procedures for DC‐point and input‐output (or driving‐point) characteristic calculation in nonlinear networks are derived and applied to circuits with considerably complex topology. Copyright © 2016 John Wiley & Sons, Ltd.
Improving Limits of Detection. Microdisc versus Microcylinder Electrodes
Authors: Cinková Kristína , Clark Max , Sokolov Stanislav V. , Batchelor‐McAuley Christopher , Švorc Ľubomír , Compton Richard G. 
Published: December 2016

AbstractThe specific apparent capacitance (Farads per unit geometric area) of commercial carbon microdisc electrodes and in‐house fabricated carbon microcylinders is studied through the use of cyclic voltammetry. Home‐made microcylinder electrodes exhibit lower specific apparent capacitances and as a result facilitate lower limits of detection. We further demonstrate practically how the electroanalytical limit of the detection of solution phase trace oxygen is significantly improved using such microcylinder electrodes. Finally we show that after the degassing of a solution by nitrogen purging even in the most commonly encountered ‘best’ case scenarios approximately tens of μM of oxygen remain present in the electrochemical cell, unobservable by the commercial microdisc electrodes, but detectable with microcylinder electrodes, testifying to their analytical superiority.
Properties of the Amide Bond Involving Proline 4,5‐methanologues: an Experimental and Theoretical Study
Authors: Berger Gilles , Chab‐Majdalani Ingrid , Hanessian Stephen 
Published: December 2016

AbstractHerein we disclose a combined experimental and theoretical study on the conformational properties of amide bonds involving diastereomeric 4,5‐methano‐L‐proline congeners as N‐acetyl ethyl esters and dimeric amide ethyl esters as substrates for cyclization to diketopiperazines. The results are discussed in light of density functional theory calculations aimed at delineating the importance of the n→π* stabilization of the trans‐amide conformations. The transitions states for the cyclization of diastereomeric 4,5‐methano‐L‐proline ethyl esters to diketopiperazines were calculated and correlated to the experimental studies.
Engineering the Fullerene‐protein Interface by Computational Design: The Sum is More than its Parts
Authors: Trozzi Francesco , Marforio Tainah Dorina , Bottoni Andrea , Zerbetto Francesco , Calvaresi Matteo 
Published: December 2016

AbstractOf all the amino acids, the surface of π‐electron conjugated carbon nanoparticles has the largest affinity for tryptophan, followed by tyrosine, phenylalanine, and histidine. In order to increase the binding of a protein to a fullerene, it should suffice to mutate a residue of the site that binds to the fullerene to tryptophan, Trp. Computational chemistry shows that this intuitive approach is fraught with danger. Mutation of a binding residue to Trp may even destabilize the binding because of the complicated balance between van der Waals, polar and non‐polar solvation interactions.
Photochemically Induced ATRP of (Meth)Acrylates in the Presence of Air: The Effect of Light Intensity, Ligand, and Oxygen Concentration
Authors: Borská Katarína , Moravčíková Daniela , Mosnáček Jaroslav 
Published: December 2016

Well‐defined poly(methyl methacrylate) (PMMA) and poly(methyl acrylate) (PMA) are prepared via photochemically induced atom transfer radical polymerization (photoATRP) using ppm amounts of CuBr2/tris(2‐pyridylmethyl)amine and CuBr2/tris[2‐(dimethylamino)ethyl]amine catalyst complexes, respectively, without degassing of polymerization mixture and with no need to introduce an external reducing agent to the system. The effect of ligand to CuBr2 ratio on kinetic and induction period during the polymerization of MMA and MA is investigated. The induction period is influenced also by the amount of oxygen in the polymerization system. Both the kinetics of MA polymerization and the induction period are affected by light intensity. Finally, the high livingness and initiation efficiency of the photoATRP system in the presence of air are proved by chain extension polymerizations. The presented system is valuable from an industrial point of view, since after optimization, well‐defined and high‐molar‐mass poly(meth)acrylates can be prepared without the necessity of degassing the system, while the polymerization can be proceeded quickly and without an induction period.
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Meteorological and hydrological drought analysis of the Seyhan−Ceyhan River Basins, Turkey
Authors: Gumus Veysel , Algin Halil Murat 
Published: December 2016

ABSTRACTThe increase in concern about drought in the Seyhan−Ceyhan River Basins in Turkey has brought about the need to define temporal and spatial drought variations. Unlike previous studies that cover this region in the current literature, sufficient amounts of data from 14 meteorological and 12 streamflow stations are used in the form of 3, 6 and 12 month timescales allowing both meteorological and hydrological drought analyses to be conducted in detail. The standardized precipitation index and streamflow drought index methods are employed for the drought analyses presented. The location, period and occurrence level of drought events for this region are specified and presented graphically. The correlation between hydrological and meteorological droughts suggests that there is a specific lag time for the droughts such that a meteorological drought emerges in the following year as a hydrological drought. Accordingly, the predicted hydrological drought period may allow for better planning of the efficient use of water resources and hydroelectric and agricultural production in this region.
Interaction Mechanism and Clustering among RGD Peptides and Integrins
Authors: Dong Xiuli , Yu Yuping , Wang Qi , Xi Ying , Liu Yingchun 
Published: December 2016

AbstractPeptides with an exposed arginine–glycine–aspartate (Arg–Gly–Asp, RGD) sequence targeting the integrin αVβ3 play an important role in targeted anticancer drug delivery. The interaction of multiple RGD‐containing peptides and two αVβ3 molecules was studied via MD simulation. Results revealed that not all six RGD‐containing peptides interact with αVβ3 and interaction strengths differed among the peptides. The specific identification sites included the guanidine group of the ARG residue in the RGD peptide and the carboxyl group of the ASP residue in integrin αVβ3. Therefore, formation of a salt bridge between ARGRGD and the ASP residue was the main mechanism of interaction. H‐bonds also played an important role in the observed interaction. The interaction between RGD‐containing peptides and αVβ3 was influenced by two factors: the relative orientation and distance between these groups. The RGD cluster, which could markedly increase the number of absorbed RGD monomers and enhance the cellular uptake of nano‐medicines, was observed in this system.
Inhibitory mechanism of l‐glutamic acid on spawning of the starfish Patiria (Asterina) pectinifera
Authors: Mita Masatoshi 
Published: December 2016

SUMMARYl‐Glutamic acid was previously identified as an inhibitor of spawning in the starfish Patiria (Asterina) pectinifera; this study examined how l‐glutamic acid works. Oocyte release from ovaries of P. pectinifera occurred after germinal vesicle breakdown (GVBD) and follicular envelope breakdown (FEBD) when gonads were incubated ex vivo with either relaxin‐like gonad‐stimulating peptide (RGP) or 1‐methyladenine (1‐MeAde). l‐Glutamic acid blocked this spawning phenotype, causing the mature oocytes to remain within the ovaries. Neither RGP‐induced 1‐MeAde production in ovarian follicle cells nor 1‐MeAde‐induced GVBD and FEBD was affected by l‐glutamic acid. l‐Glutamic acid may act through metabotropic receptors in the ovaries to inhibit spawning, as l‐(+)‐2‐amino‐4‐phosphonobutyric acid, an agonist for metabotropic glutamate receptors, also inhibited spawning induced by 1‐MeAde. Application of acetylcholine (ACH) to ovaries under inhibitory conditions with l‐glutamic acid, however, brought about spawning, possibly by inducing contraction of the ovarian wall to discharge mature oocytes from the ovaries concurrently with GVBD and FEBD. Thus, l‐glutamic acid may inhibit ACH secretion from gonadal nerve cells in the ovary. Mol. Reprod. Dev. 84: 246–256, 2017. © 2017 Wiley Periodicals, Inc.