bluuebunny/crossref_metadata_2025_split huggingface dataset:
Anion‐Triggered Modulation of Structure and Magnetic Properties of Copper(I)–Dysprosium(III) Complexes Derived from 1‐Hydroxybenzotriazolate
Authors: Han Song‐De , Wang Qing‐Lun , Xu Jian , Bu Xian‐He 
Published: October 2015

AbstractSolvothermal reaction of CuX (X = Cl, Br, I) and Dy(NO3)3·6H2O with a polydentate 1‐hydroxybenzotriazole (HL) ligand afforded three CuI–DyIII heterometallic complexes formulated as [Cu3Dy(L)6]n (1), [Cu5DyBr(L)7(H2O)2]n (2), and [Cu6DyI3(L)6]n (3). Although identical stoichiometric ratios of the reactants were used in the formation of 1–3, their structures display clear diversity, which is indicative of anion‐triggered structural modulation. Complex 1 shows a 2D layer with CuI chains as building units, which are further connected by DyIII to lead to the final structure. Complex 2 displays a double parallel DyIII–CuI chain bridged by L ligands. Complex 3 features a 2D sheet built from the alternating arrangement of Dy2 and CuI6I3 units. Magnetic analyses indicate that complex 3 exhibits single‐molecule magnet like behavior at low temperature.
Imidazolium Dicarboxylate Based Metal–Organic Frameworks Obtained by Solvo‐Ionothermal Reaction
Authors: Farger Pierre , Guillot Régis , Leroux Fabrice , Parizel Nathalie , Gallart Mathieu , Gilliot Pierre , Rogez Guillaume , Delahaye Emilie , Rabu Pierre 
Published: October 2015

AbstractSolvo‐ionothermal reactions were run between cobalt acetate or zinc acetate and 1,3‐bis(carboxymethyl)imidazolium chloride ([(MimCO2H)2][Cl]). These reactions led to two isostructural metal–organic frameworks (MOFs). These two compounds, [(MimCO2)2]2Co and [(MimCO2)2]2Zn, were obtained as single crystals, and their structures were determined by single‐crystal X‐ray diffraction. These two analogs have a 2D framework consisting of the stacking of layers formed by interconnection of rings containing ligands and metal ions. The structural and thermal properties were analyzed by means of ancillary techniques encompassing FTIR, UV/Vis, NMR spectroscopy, and TGA/TDA measurements. In addition, magnetic and EPR spectroscopic measurements on [(MimCO2)2]2Co showed that the Co2+ ions are in a high‐spin configuration with a large magnetic anisotropy relying on a rather unusual distorted tetrahedral coordination. The investigation of the optical properties revealed the photoluminescence of [(MimCO2)2]2Zn.
Direct Access to Inversely Polarized Phosphaalkenes from Elemental Phosphorus or Polyphosphides
Authors: Cicač‐Hudi Mario , Bender Johannes , Schlindwein Simon Hugo , Bispinghoff Mark , Nieger Martin , Grützmacher Hansjörg , Gudat Dietrich 
Published: October 2015

AbstractPhosphorus‐containing multiple‐bond systems have received great interest in various applications but often require elaborate syntheses and special precursors. In this paper, we describe simple methods for the synthesis of imidazoyl phosphinidenes and bis(imidazolyl)–P(I) halides from elemental phosphorus or the heptaphosphides Na3P7 and (Me3Si)3P7. The reactions of imidazolium salts with KOtBu and P4 afford mixtures of imidazoyl phosphinidenes and Pn compounds and, for N‐methylated imidazolium salts, also bis(imidazolyl)–P(I) halides. NMR spectroscopy studies revealed the formation of a bis(imidazoyl)‐substituted tetraphosphatriene and the bicyclic anion HP4– as transient intermediates and indicated the participation of tBuOH in the formation of imidazoyl phosphinidenes. Na3P7 and (Me3Si)3P7 can be obtained from P4 and Pred in excellent yields by a safe and simple method and are versatile precursors for the synthesis of imidazoyl phosphinidenes with varying steric demand.
A novel method for the automatic sample preparation and analysis of 3‐MCPD‐, 2‐MCPD‐, and glycidylesters in edible oils and fats
Authors: Zwagerman Ralph , Overman Pierre 
Published: October 2015

Currently, there are three official AOCS indirect methods for the detection and quantification of 2‐ and 3‐chloropropane‐1,2‐diol‐(2‐MCPDe/3‐MCPDe) and glycidyl esters (GE). The complete analysis for methods which allow separate detection and quantification of these three analytes is time consuming (>16 h) and because of extensive manual sample preparation, the chances for error are significant and well‐trained analysts are required for correct and reproducible results.We developed a new automated indirect method for sample preparation and quantification of these three analytes in oils and fats based on the relatively fast AOCS Official Method Cd 29c‐13 (alkaline transesterification, differential method, no 2‐MCPDe quantification). The method is adapted to ensure separate glycidol detection and correction for possible overestimation due to conversion of 3‐MCPD to glycidol during alkaline transesterification using a carbon‐13 labeled internal standard. Furthermore, the total analysis time is reduced significantly to less than 5 h per series of four samples with minimal contact time. The exclusion of manual sample preparation reduces the need for dedicated well‐trained lab technicians and eliminates variance between technicians. This makes the automated method a suitable tool to integrate in operational Quality Control services without specialized lab technicians. The method has been validated against AOCS Official Method Cd 29b‐13 using different types of edible oils.Practical application: The use of an autosampler for sample preparation simplifies the parallel analysis of MCPD and glycidyl esters to a method which can be applied in any quality control or research laboratory without the need for multiple specialized technicians while optimizing sample throughput. It minimizes analysis errors by removing the human factor during sample preparation and allows for far shorter analysis times, allowing much faster optimization of production processes and food safety quality control practices.Correction of the glycidol overestimation caused by 3‐MCPD conversion to glycidol during alkaline transesterification during sample preparation using a 3‐MCPD‐13C3 ester as internal standard.
Ether Cleavage Re‐Investigated: Elucidating the Mechanism of BBr3‐Facilitated Demethylation of Aryl Methyl Ethers
Authors: Kosak Talon M. , Conrad Heidi A. , Korich Andrew L. , Lord Richard L. 
Published: October 2015

AbstractOne of the most well‐known, highly utilized reagents for ether cleavage is boron tribromide (BBr3), and this reagent is frequently employed in a 1:1 stoichiometric ratio with ethers. Density functional theory calculations predict a new mechanistic pathway involving charged intermediates for ether cleavage in aryl methyl ethers. Moreover, these calculations predict that one equivalent of BBr3 can cleave up to three equivalents of anisole, producing triphenoxyborane [B(OPh)3] prior to hydrolysis. These predictions were validated by gas chromatography analysis of reactions where the BBr3:anisole ratio was varied. Not only do we confirm that sub‐stoichiometric equivalents may be used for ether demethylation, but the findings also support our newly proposed three cycle mechanism for cleavage of aryl methyl ethers.
Incidence and prognostic factors of chronic pain after isolated musculoskeletal extremity injury
Authors: Pierik J.G.J. , IJzerman M.J. , Gaakeer M.I. , Vollenbroek‐Hutten M.M.R. , van Vugt A.B. , Doggen C.J.M. 
Published: October 2015

AbstractBackgroundChronic pain in patients is usually related to an episode of pain following acute injury, emphasizing the need to prevent progression from acute to chronic pain. Multiple factors in the acute phase might be responsible for perpetuating the pain. The presentation of patients at the emergency department (ED) presents a prime opportunity to identify patients at high risk for chronic pain and to start appropriate treatment.MethodsThe PROTACT study is a prospective follow‐up study aiming to estimate the incidence and prognostic factors responsible for the development of chronic pain after musculoskeletal injury. Data including sociodemographic, pain, clinical, injury‐ or treatment‐related and psychological factors of 435 patients were collected from registries and questionnaires at ED visit, 6‐week, 3‐ and 6‐month follow‐up.ResultsAt 6 months post‐injury, 43.9% of the patients had some degree of pain (Numeric Rating Scale (NRS) ≥1) and 10.1% had chronic pain (NRS ≥4). Patients aged over 40 years, in poor physical health, with pre‐injury chronic pain, pain catastrophizing, high urgency level and severe pain at discharge were found to be at high risk for chronic pain.ConclusionsTwo prognostic factors, severe pain at discharge and pain catastrophizing, are potentially modifiable. The implementation of a pain protocol in the ED and the use of cognitive–behavioural techniques involving reducing catastrophizing might be useful.
The effect of patient–practitioner communication on pain: a systematic review
Authors: Mistiaen P. , van Osch M. , van Vliet L. , Howick J. , Bishop F.L. , Di Blasi Z. , Bensing J. , van Dulmen S. 
Published: October 2015

AbstractBackground and objectiveCommunication between patients and health care practitioners is expected to benefit health outcomes. The objective of this review was to assess the effects of experimentally varied communication on clinical patients’ pain.Databases and data treatmentWe searched in July 2012, 11 databases supplemented with forward and backward searches for (quasi‐) randomized controlled trials in which face‐to‐face communication was manipulated. We updated in June 2015 using the four most relevant databases (CINAHL, Cochrane Central, Psychinfo, PubMed).ResultsFifty‐one studies covering 5079 patients were included. The interventions were separated into three categories: cognitive care, emotional care, procedural preparation. In all but five studies the outcome concerned acute pain. We found that, in general, communication has a small effect on (acute) pain. The 19 cognitive care studies showed that a positive suggestion may reduce pain, whereas a negative suggestion may increase pain, but effects are small. The 14 emotional care studies showed no evidence of a direct effect on pain, although four studies showed a tendency for emotional care lowering patients’ pain. Some of the 23 procedural preparation interventions showed a weak to moderate effect on lowering pain.ConclusionsDifferent types of communication have a significant but small effect on (acute) pain. Positive suggestions and informational preparation seem to lower patients’ pain. Communication interventions show a large variety in quality, complexity and methodological rigour; they often used multiple components and it remains unclear what the effective elements of communication are. Future research is warranted to identify the effective components.
Relationship between adaptation and cardiovascular response to tonic cold and heat pain Adaptability to tonic pain and cardiovascular responses
Authors: Devoize L. , Chalaye P. , Lafrenaye S. , Marchand S. , Dallel R. 
Published: October 2015

AbstractBackgroundThe mechanisms of adaptation to tonic pain are not elucidated. We hypothesized that the adaptability to tonic pain is related to the cardiovascular system.MethodsTwenty‐six subjects received over two sessions in a random order: tonic cold (7 ± 0.2 °C) and heat pain (47.5 ± 0.5 °C) on the hand for 5 min. Pain intensity, blood pressure (BP), and heart rate (HR) were continuously monitored.ResultsPain experience during the heat (HIT) and cold (CIT) immersion tests exhibited different average time courses, being approximated with a linear and cubic function, respectively. In each test, two groups of participants could be identified based on the time course of their tonic thermal pain: one‐third of participants were pain adaptive and two‐thirds non adaptive. The adaptive group exhibited higher initial pain, lower last pain, and shorter latency to peak pain than the non‐adaptive one. Interestingly, some participants were adaptive to both pain stimuli, most were not. HIT as well as CIT produced a stable elevation of BP. However, BP was higher during CIT than HIT (p = 0.034). HR was also increased during CIT and HIT, but the two tests differed with respect to the time course of responses. Finally, the intensity and time course of pain rating to both HIT and CIT correlated with neither BP nor HR responses.ConclusionsThese results suggest that individual sensitivity and adaptability to tonic thermal pain is related to the intensity of initial pain rating and the latency to peak pain but not to cardiovascular responses.
Are individual levels of pain anxiety related to negative interpretation bias? An examination using an ambiguous word priming task
Authors: Vancleef L.M.G. , Hanssen M.M. , Peters M.L. 
Published: October 2015

AbstractBackgroundCognitive processes like attentional and interpretation biases have been suggested to play a vital role in the onset and exacerbation of chronic pain. Research consistently supports the occurrence of interpretation bias (IB) in pain patients and healthy individuals high in pain anxiety. Nevertheless, studies on the indirect assessment of IB or the relation between IB and responses to pain are limited. The present studies examined the association between indirect assessed IB and pain anxiety, while Study 2 additionally examined IB as a mediator in the relation between pain anxiety and pain responses.MethodIn Study 1 (N = 125) and Study 2 (N = 73), anxiety sensitivity, injury/illness sensitivity (IS) and pain catastrophizing were assessed with questionnaires. IB was indirectly derived from performance on an ambiguous word priming task. In Study 2, an experimental heat pain induction was used to assess pain responses (i.e. tolerance and subjective pain experience).ResultsResults showed a positive correlation between pain anxiety and IB, albeit that the strength of the observed associations differed between both studies. Furthermore, IB was inversely related to pain tolerance, and found to mediate the relation between IS and pain tolerance in Study 2.ConclusionsCurrent findings underscore the importance of interpretational processes in the context of physical health threat. Furthermore, the ambiguous word priming task is proposed as a suitable paradigm for further research on the indirect assessment of IB. Nevertheless, further research is warranted to deepen our understanding of IB and its contribution to the experience of (chronic) pain.
An Adaptive Association Test for Multiple Phenotypes with GWAS Summary Statistics
Authors: Kim Junghi , Bai Yun , Pan Wei 
Published: October 2015

ABSTRACTWe study the problem of testing for single marker‐multiple phenotype associations based on genome‐wide association study (GWAS) summary statistics without access to individual‐level genotype and phenotype data. For most published GWASs, because obtaining summary data is substantially easier than accessing individual‐level phenotype and genotype data, while often multiple correlated traits have been collected, the problem studied here has become increasingly important. We propose a powerful adaptive test and compare its performance with some existing tests. We illustrate its applications to analyses of a meta‐analyzed GWAS dataset with three blood lipid traits and another with sex‐stratified anthropometric traits, and further demonstrate its potential power gain over some existing methods through realistic simulation studies. We start from the situation with only one set of (possibly meta‐analyzed) genome‐wide summary statistics, then extend the method to meta‐analysis of multiple sets of genome‐wide summary statistics, each from one GWAS. We expect the proposed test to be useful in practice as more powerful than or complementary to existing methods.
Course of cognitive impairment following attempted suicide in older adults
Authors: Gujral Swathi , Ogbagaber Semhar , Dombrovski Alexandre Y. , Butters Meryl A. , Karp Jordan F. , Szanto Katalin 
Published: October 2015

ObjectiveCognitive impairment has been associated with late‐life suicidal behavior. Without longitudinal data it is unclear whether these are transient features of a depressive state or stable impairments. We examined longitudinally the course of cognitive impairment in older adults with depression and a history of suicide attempt.MethodsWe investigated the persistence of cognitive impairment over time in 198 depressed older adults (age >60); 91 suicide attempters, 39 depressed individuals with suicidal ideation (ideators), and 68 non‐suicidal depressed adults assessed over a 2‐year period at four time points. We used linear mixed effects modeling to examine group differences in trajectories of cognitive decline over 2 years, using the Mini‐Mental State Examination (MMSE), Mattis Dementia Rating Scale (DRS), and Executive Interview (EXIT).ResultsOver the 2‐year period, suicide attempters performed significantly worse than both suicide ideators and non‐suicidal depressed older adults on the MMSE (mean difference: from ideators: −0.88, p = 0.02; from non‐suicidal depressed: −1.52, p < 0.01), while on the EXIT and DRS, suicide attempters performed significantly worse than non‐suicidal depressed older adults (mean difference: in EXIT: −1.75, p = 0.01; in DRS: 3.04, p < 0.01; in MMSE: 1.15, p < 0.01). Cognitive impairment in suicide attempters partly resolved, as indicated by a group × time interaction on the DRS (p = 0.039), but not the EXIT (p = 0.58) or the MMSE (p = 0.08).ConclusionsCognitive impairment in late‐life suicidal behavior appears to involve both a stable and a state‐related component. Copyright © 2015 John Wiley & Sons, Ltd.
White matter microstructural damage and depressive symptoms in patients with mild cognitive impairment and cerebral small vessel disease: the VMCI‐Tuscany Study
Authors: Pasi Marco , Poggesi Anna , Salvadori Emilia , Diciotti Stefano , Ciolli Laura , Del Bene Alessandra , Marini Sandro , Nannucci Serena , Pescini Francesca , Valenti Raffaella , Ginestroni Andrea , Toschi Nicola , Mascalchi Mario , Inzitari Domenico , Pantoni Leonardo 
Published: October 2015

Background and purposeDisruption of cortical‐subcortical circuits related to small vessel disease (SVD) may predispose to depression in the elderly. We aimed to determine the independent association between white matter (WM) microstructural damage, evaluated with diffusion tensor imaging (DTI), and depressive symptoms in a cohort of elderly subjects with mild cognitive impairment (MCI) and SVD.MethodsThe vascular mild cognitive impairment (VMCI)‐Tuscany Study is an observational multicentric longitudinal study that enrolled patients with MCI and moderate to severe degrees of WM hyperintensities on MRI. Lacunar infarcts, cortical atrophy, medial temporal lobe atrophy, microbleeds, and DTI‐derived indices (mean diffusivity, MD and fractional anisotropy, FA) were evaluated on baseline MRI. Geriatric Depression Scale (GDS) (score 0–15) was used to assess depressive symptoms. An extensive neuropsychological battery, Instrumental Activities of Daily Living scale, and the Short Physical Performance Battery were used for cognitive, functional, and motor assessments, respectively.ResultsSeventy‐six patients (mean age: 75.1 ± 6.8 years) were included. Univariate analyses showed a significant association between GDS score and both DTI‐derived indices (MD: r = 0.307, p = 0.007; FA: r = −0.245; p = 0.033). The association remained significant after adjustment for age, WM hyperintensities severity, global cognitive, functional and motor performances, and antidepressant therapy (MD: r = 0.361, p = 0.002; FA: r = −0.277; p = 0.021).ConclusionsThese results outline the presence of an association between WM microstructural damage and depressive symptoms in MCI patients with SVD. This relationship does not seem to be mediated by disability, cognitive, and motor impairment, thus supporting the vascular depression hypothesis. Copyright © 2015 John Wiley & Sons, Ltd.
Estimation of instantaneous peak flows from maximum mean daily flows using the HBV hydrological model
Authors: Ding J. , Wallner M. , Müller H. , Haberlandt U. 
Published: October 2015

AbstractThe record length and quality of instantaneous peak flows (IPFs) have a great influence on flood design, but these high resolution flow data are not always available. The primary aim of this study is to compare different strategies to derive frequency distributions of IPFs using the Hydrologiska Byråns Vattenbalansavdelning (HBV) hydrologic model. The model is operated on a daily and an hourly time step for 18 catchments in the Aller‐Leine basin, Germany. Subsequently, general extreme value (GEV) distributions are fitted to the simulated annual series of daily and hourly extreme flows. The resulting maximum mean daily flow (MDF) quantiles from daily simulations are transferred into IPF quantiles using a multiple regression model, which enables a direct comparison with the simulated hourly quantiles. As long climate records with a high temporal resolution are not available, the hourly simulations require a disaggregation of the daily rainfall. Additionally, two calibrations strategies are applied: (1) a calibration on flow statistics; (2) a calibration on hydrographs.The results show that: (1) the multiple regression model is capable of predicting IPFs with the simulated MDFs; (2) both daily simulations with post‐correction of flows and hourly simulations with pre‐processing of precipitation enable a reasonable estimation of IPFs; (3) the best results are achieved using disaggregated rainfall for hourly modelling with calibration on flow statistics; and (4) if the IPF observations are not sufficient for model calibration on flow statistics, the transfer of MDFs via multiple regressions is a good alternative for estimating IPFs. Copyright © 2015 John Wiley & Sons, Ltd.
Prenatal Smoke Exposure Predicts Hyperactive/Impulsive but Not Inattentive ADHD Symptoms in Adolescent and Young Adult Girls
Authors: Gard Arianna M. , Owens Elizabeth B. , Hinshaw Stephen P. 
Published: October 2015

AbstractWe examined the longitudinal associations between prenatal tobacco smoke exposure (PSE) and attention‐deficit hyperactivity disorder (ADHD) symptom domains in adolescence and young adulthood. A sample of girls with ADHD combined presentation (N = 93), ADHD predominantly inattentive presentation (N = 47), and matched comparisons (N = 88) was assessed prospectively. Symptoms of hyperactivity/impulsivity (HI), inattention (IA), and oppositionality (oppositional defiant disorder) were measured via multiple informants 5 (M age = 14 years; retention rate = 92%) and 10 years (M age = 20 years; retention rate = 95%) following childhood ascertainment. PSE was captured via maternal self‐report. We used linear regressions to examine the prediction from PSE to both HI and IA in adolescence and early adulthood after stringent control of relevant confounding variables. PSE significantly predicted HI during adolescence and young adulthood across multiple informants but did not predict IA at either wave. Symptoms of HI may have partial etiological independence from IA symptoms. Copyright © 2015 John Wiley & Sons, Ltd.