bluuebunny/crossref_metadata_2025_split huggingface dataset:
Changes in psychosocial work environment and depressive symptoms: A prospective study in junior physicians
Authors: Li Jian , Weigl Matthias , Glaser Jürgen , Petru Raluca , Siegrist Johannes , Angerer Peter 
Published: September 2013

AbstractBackgroundWe examined the impact of changes in the psychosocial work environment on depressive symptoms in a sample of junior physicians, a high risk group for stress and mental disorders.MethodsThis is a three‐wave prospective study in 417 junior physicians during their residency in German hospitals. The psychosocial work environment was measured by the Effort–Reward Imbalance (ERI) Questionnaire at Waves 1 and 2, and the depressive symptoms were assessed with the State‐Trait Depression Scales at all three waves. Multivariate linear regression was applied for prospective associations between ERI across Waves 1 and 2, and baseline‐adjusted depressive symptoms at Wave 3.ResultsCompared with the ERI scores at Wave 1, at Wave 2, and mean scores between the two waves, the baseline‐adjusted ERI change scores between the two waves showed slightly better statistical power, predicting depressive symptoms at Wave 3 (β = 0.78, 95% CI = 0.38–1.18 for increased ERI per SD, β = 0.64, 95% CI = 0.22–1.06 for increased effort per SD, β = −0.65, 95% CI = −1.06 to −0.24 for increased reward per SD, and β = 0.68, 95% CI = 0.27–1.09 for increased overcommitment per SD).ConclusionsNegative changes in the psychosocial work environment, specifically increased ERI, are associated with depressive symptoms in German junior physicians. Reducing the non‐reciprocity of working life, particularly improving reward at work, may have beneficial effects on prevention of mental health problems in the hospital workplace. Am. J. Ind. Med. 56:1414–1422, 2013. © 2013 Wiley Periodicals, Inc.
Biological and spatial structure of an early classic period cemetery at Charco Redondo, Oaxaca
Authors: Paul Kathleen S. , Stojanowski Christopher M. , Butler Michelle M. 
Published: September 2013

ABSTRACTThis article presents an analysis of biological and spatial patterning of an Early Classic (A.D. 250–500) Chatino cemetery at the archaeological site of Charco Redondo, located in the lower Río Verde Valley, Oaxaca, Mexico. The Early Classic was a time of political instability positioned between two phases of state‐level centralization within the coastal valley. The communal cemetery at Charco Redondo adds significantly to the inventory of excavated graves from this time period and provides novel data on mortuary practices during a critical phase in the development of state level polities in the region. Cluster analysis of mortuary data is combined with intracemetery biodistance approaches to reconstruct how the Charco Redondo cemetery was organized with respect to biological relationships. Cluster analysis of mortuary data identified three groupings of burials. Multidimensional scaling of Euclidean distances and Gower coefficients based on 45 odontometric and 13 dental morphological variables suggests a strong relationship between grave characteristics and locations and phenotypic variation. In other words, the cemetery at Charco Redondo appears biologically kin‐structured. The communal nature of the cemetery conflicts with the assumed “household” burial model for this time period. We propose the observed combination of features represents a transitional practice in which aspects of community, kin, and individual identity were signaled simultaneously within the funerary environment during a time of political transition in the Valley. This article highlights the utility of intracemetery biodistance analyses for examining dimensions of kinship, “house,” and community throughout Mesoamerica where overarching models often mask regional variability. Am J Phys Anthropol 152:217–229, 2013. © 2013 Wiley Periodicals, Inc.
Brief communication: Morphological effects of captivity: A geometric morphometric analysis of the dorsal side of the scapula in captive‐bred and wild‐caught hominoidea
Authors: Bello‐Hellegouarch Gaëlle , Potau Josep Maria , Arias‐Martorell Julia , Pastor Juan Francisco , Pérez‐Pérez Alejandro 
Published: September 2013

ABSTRACTMany osteological collections from museums and research institutions consist mainly of remains from captive‐bred animals. The restrictions related to the space of their enclosures and the nature of its substrate are likely to affect the locomotor and postural behaviors of captive‐bred animals, which are widely considered uninformative regarding bone morphology and anatomical adaptations of wild animals, especially so in the case of extant great apes. We made a landmark‐based geometric morphometrics analysis of the dorsal side of the scapular bone of both wild‐caught and captive‐bred great apes to clarify the effect of captivity on the morphology of a bone greatly involved in locomotion. The comparison suggested that captivity did not have a significant effect on the landmark configuration used, neither on average scapular shape nor shape variability, being impossible to distinguish the scapulae of a captive‐bred animal from that of a wild‐caught one. This indicates that the analyzed scapulae from captive Hominoidea specimens may be used in morphological or taxonomic analyses since they show no atypical morphological traits caused by living conditions in captivity. Am J Phys Anthropol 152:306–310, 2013. © 2013 Wiley Periodicals, Inc.
Effect of symptom‐based risk stratification on the costs of managing patients with chronic rhinosinusitis symptoms
Authors: Tan Bruce K. , Lu Guanning , Kwasny Mary J. , Hsueh Wayne D. , Shintani‐Smith Stephanie , Conley David B. , Chandra Rakesh K. , Kern Robert C. , Leung Randy 
Published: September 2013

BackgroundCurrent symptom criteria poorly predict a diagnosis of chronic rhinosinusitis (CRS) resulting in excessive treatment of patients with presumed CRS. The objective of this study was analyze the positive predictive value of individual symptoms, or symptoms in combination, in patients with CRS symptoms and examine the costs of the subsequent diagnostic algorithm using a decision tree–based cost analysis.MethodsWe analyzed previously collected patient‐reported symptoms from a cross‐sectional study of patients who had received a computed tomography (CT) scan of their sinuses at a tertiary care otolaryngology clinic for evaluation of CRS symptoms to calculate the positive predictive value of individual symptoms. Classification and regression tree (CART) analysis then optimized combinations of symptoms and thresholds to identify CRS patients. The calculated positive predictive values were applied to a previously developed decision tree that compared an upfront CT (uCT) algorithm against an empiric medical therapy (EMT) algorithm with further analysis that considered the availability of point of care (POC) imaging.ResultsThe positive predictive value of individual symptoms ranged from 0.21 for patients reporting forehead pain and to 0.69 for patients reporting hyposmia. The CART model constructed a dichotomous model based on forehead pain, maxillary pain, hyposmia, nasal discharge, and facial pain (C‐statistic 0.83). If POC CT were available, median costs ($64‐$415) favored using the upfront CT for all individual symptoms. If POC CT was unavailable, median costs favored uCT for most symptoms except intercanthal pain (−$15), hyposmia (−$100), and discolored nasal discharge (−$24), although these symptoms became equivocal on cost sensitivity analysis. The three‐tiered CART model could subcategorize patients into tiers where uCT was always favorable (median costs: $332‐$504) and others for which EMT was always favorable (median costs −$121 to −$275). The uCT algorithm was always more costly if the nasal endoscopy was positive.ConclusionAmong patients with classic CRS symptoms, the frequency of individual symptoms varied the likelihood of a CRS diagnosis marginally. Only hyposmia, the absence of facial pain, and discolored discharge sufficiently increased the likelihood of diagnosis to potentially make EMT less costly. The development of an evidence‐based, multisymptom‐based risk stratification model could substantially affect the management costs of the subsequent diagnostic algorithm.
Treatment effect on brain atrophy correlates with treatment effect on disability in multiple sclerosis
Authors: Sormani Maria Pia , Arnold Douglas L. , De Stefano Nicola 
Published: September 2013

ObjectiveTo evaluate the extent to which treatment effect on brain atrophy is able to mediate, at the trial level, the treatment effect on disability progression in relapsing–remitting multiple sclerosis (RRMS).MethodsWe collected all published randomized clinical trials in RRMS lasting at least 2 years and including as endpoints disability progression (defined as 6 or 3 months confirmed 1‐point increase on the Expanded Disability Status Scale), active magnetic resonance imaging (MRI) lesions (defined as new/enlarging T2 lesions), and brain atrophy (defined as change in brain volume between month 24 and month 6–12). Treatment effects were expressed as relative reductions. A linear regression, weighted for trial size and duration, was used to assess the relationship between the treatment effects on MRI markers and on disability progression.ResultsThirteen trials including >13,500 RRMS patients were included in the meta‐analysis. Treatment effects on disability progression were correlated with treatment effects both on brain atrophy (R2 = 0.48, p = 0.001) and on active MRI lesions (R2 = 0.61, p < 0.001). When the effects on both MRI endpoints were included in a multivariate model, the correlation was higher (R2 = 0.75, p < 0.001), and both variables were retained as independently related to the treatment effect on disability progression.InterpretationIn RRMS, the treatment effect on brain atrophy is correlated with the effect on disability progression over 2 years. This effect is independent of the effect of active MRI lesions on disability; the 2 MRI measures predict the treatment effect on disability more closely when used in combination. ANN NEUROL 2014;75:43–49
Die Bekämpfung multiresistenter Bakterien: aktuelle Strategien zur Entdeckung neuer Antibiotika
Authors: O'Connell Kieron M. G. , Hodgkinson James T. , Sore Hannah F. , Welch Martin , Salmond George P. C. , Spring David R. 
Published: September 2013

AbstractDie Einführung effizienter antibakterieller Therapien für Infektionskrankheiten in der Mitte des 20. Jahrhunderts revolutionierte die klinische Praxis und erleichterte die Entwicklung der modernen Medizin. Viele potenziell lebensbedrohliche Erkrankungen wurden leicht heilbar, die Zahl der Toten oder Versehrten aufgrund von Bakterieninfektionen nahm drastisch ab. Dieser überwältigende historische Erfolg macht es schwer, sich ein Leben ohne effiziente Antibiotika vorzustellen. Dennoch wird dies durch die unaufhaltsame Zunahme resistenter Bakterien für einige Infektionen zu einer sehr realen und verstörenden Möglichkeit. Die rücksichtslose Selektion auf resistente Bakterien, gekoppelt mit ungenügenden Investitionen für Infektionsforschung, hat zu einer stetigen Abnahme der Wirksamkeit vorhandener Therapien und zu einem Mangel an neuen Strukturklassen geführt, um die bekannten Verbindungen zu ersetzen oder zu ergänzen. Daraus hat sich ein dringender Bedarf für neue Antibiotika und Behandlungsstrategien ergeben, den zu befriedigen eine der Schlüsselaufgaben für die Medizinalchemie des 21. Jahrhunderts sein wird.
La théorie des éléments de Christophorus Clavius et l'idée du globe terraqué
Authors: Echeverría Virginia Iommi , Amunátegui Godofredo Iommi 
Published: September 2013

AbstractDie Theorie der Elemente des Christophorus Clavius und die Idee des aus Erde und Wasser bestehenden Globus. Die Notwendigkeit, die Theorie des Aristoteles in Einklang mit der Evidenz der Erde über dem Meeresspiegel – der ‘terra firma’ – zu bringen, hat eine entscheidende konzeptuelle Veränderung verursacht, in deren Folge auf paradoxe Weise anti‐aristotelische Argumente in die aristotelische Tradition integriert wurden. Der deutsche Jesuitenpater Christophorus Clavius spielte eine relevante Rolle bei diesem Prozess. Er führte die Idee des aus Erde und Wasser bestehenden Globus in die scholastische Kosmologie ein, indem er das logische System der Physik des Aristoteles abwandelte. Dieser Artikel analysiert die Theorie des Clavius sowie die angewandte Vorgehensweise, die er benutzte, um sein Vorhaben zu realisieren. Clavius verwendet kombinatorische Ansätze, um die Beziehungen der vier Elemente – Erde, Wasser, Luft und Feuer – zueinander zu untersuchen. Er sieht ihre Verbindung aus einer physischen Perspektive und schlägt schließlich eine mögliche Struktur der sublunaren Welt vor.
Development of analytical methods for the quantification of metabolites of lesogaberan in a MIST investigation
Authors: Dunér Kristina , Bottner Pernilla , Norlén Anna‐Karin 
Published: September 2013

ABSTRACTAnalytical methods were developed for the determination of six metabolites of lesogaberan to be used in quantitative determinations of metabolites according to the guidelines of Metabolites in Safety Testing. The γ‐amino butyric acid type B receptor agonist lesogaberan and its metabolites are small polar molecules and hydrophilic interaction liquid chromatography was found to be a suitable separation mode. The samples were prepared using protein precipitation and negative electrospray ionization tandem mass spectrometry was used for detection. Initially, exploratory methods for six metabolites were set up for analysis of human plasma samples taken after repeated administration of a high oral dose of lesogaberan. The purpose was to establish which metabolites were present at concentrations significant for further investigation. Four of the six metabolites were then found at clearly detectable concentrations. The analytical methods for these four metabolites were further elaborated and then taken through a qualification procedure, which showed acceptable accuracy (86–114%), precision (<9%) and good linearity in the range 0.03–5 µmol/L. No interferences were seen from endogenous plasma components. Copyright © 2013 John Wiley & Sons, Ltd.
The Development of Selective Inhibitors of NagZ: Increased Susceptibility of Gram‐Negative Bacteria to β‐Lactams
Authors: Stubbs Keith A. , Bacik John‐Paul , Perley‐Robertson G. Evan , Whitworth Garrett E. , Gloster Tracey M. , Vocadlo David J. , Mark Brian L. 
Published: September 2013

AbstractThe increasing incidence of inducible chromosomal AmpC β‐lactamases within the clinic is a growing concern because these enzymes deactivate a broad range of even the most recently developed β‐lactam antibiotics. As a result, new strategies are needed to block the action of this antibiotic resistance enzyme. Presented here is a strategy to combat the action of inducible AmpC by inhibiting the β‐glucosaminidase NagZ, which is an enzyme involved in regulating the induction of AmpC expression. A divergent route facilitating the rapid synthesis of a series of N‐acyl analogues of 2‐acetamido‐2‐deoxynojirimycin is reported here. Among these compounds are potent NagZ inhibitors that are selective against functionally related human enzymes. These compounds reduce minimum inhibitory concentration values for β‐lactams against a clinically relevant Gram‐negative bacterium bearing inducible chromosomal AmpC β‐lactamase, Pseudomonas aeruginosa. The structure of a NagZ–inhibitor complex provides insight into the molecular basis for inhibition by these compounds.
Procedural justice and prisoners' mental health problems: A longitudinal study
Authors: Beijersbergen Karin A. , Dirkzwager Anja J. E. , Eichelsheim Veroni I. , van der Laan Peter H. , Nieuwbeerta Paul 
Published: September 2013

ABSTRACTBackgroundGiven the high prevalence of mental health problems among prisoners, knowledge on its determinants is important. Prior cross‐sectional studies suggest that procedurally just treatment within prison is a significant predictor; however, longitudinal research is lacking.AimThe aims of this study were to examine (1) the longitudinal relationship between prisoners' perceptions of procedural justice – including fairness, respect, humanity and relationships with officers – and their mental health and (2) the moderating role of coping style in this relationship.MethodsData were obtained from the Prison Project, a longitudinal study of adult male prisoners in the Netherlands, interviewed both 3 weeks and 3 months after their reception into pre‐trial detention (N = 824). A cross‐lagged structural equation model was employed to investigate associations.ResultsPrisoners who reported experiencing a higher level of procedural justice 3 weeks after their arrival in custody reported fewer mental health problems after 3 months. No evidence was found that coping style moderated this relationship.ConclusionsThese findings suggest a causal relationship between procedural justice and psychological well‐being. Fair and respectful treatment of prisoners is a predictor not only of prison order and prisoners' compliance but also of prisoners' psychological well‐being. Copyright © 2013 John Wiley & Sons, Ltd.
Disilicon Complexes with Two Hexacoordinate Si Atoms: Paddlewheel‐Shaped Isomers with (ClN4)SiSi(S4Cl) and (ClN2S2)SiSi(S2N2Cl) Skeletons
Authors: Wagler Jörg , Brendler Erica , Heine Thomas , Zhechkov Lyuben 
Published: September 2013

AbstractThe reaction of 1‐methyl‐3‐trimethylsilylimidazoline‐2‐thione with hexachlorodisilane proceeds toward substitution of four of the disilane Cl atoms during the formation of disilicon complexes with two neighboring hexacoordinate Si atoms. The N,S‐bidentate methimazolide moieties adopt a buttressing role, thus forming paddlewheel‐shaped complexes of the type ClSi(μ‐mt)4SiCl (mt=methimazolyl). Most interestingly, three isomers (i.e., with (ClN4)SiSi(S4Cl), (ClN3S)SiSi(S3NCl), and (ClN2S2)SiSi(S2N2Cl) skeletons as so‐called (4,0), (3,1), and cis‐(2,2) paddlewheels) were detected in solution by using 29Si NMR spectroscopic analysis. Two of these isomers could be isolated as crystalline solids, thus allowing their molecular structures to be analyzed by using X‐ray diffraction studies. In accord with time‐dependent NMR spectroscopy, computational analyses proved the cis‐(2,2) isomer with a (ClN2S2)SiSi(S2N2Cl) skeleton to be the most stable. The compounds presented herein are the first examples of crystallographically evidenced disilicon complexes with two SiSi‐bonded octahedrally coordinated Si atoms and representatives of the still scarcely explored class of Si coordination compounds with sulfur donor atoms.
The Roles of Counterion and Water in a Stereoselective Cysteine‐Catalyzed Rauhut–Currier Reaction: A Challenge for Computational Chemistry
Authors: Osuna Sílvia , Dermenci Alpay , Miller Scott J. , Houk K. N. 
Published: September 2013

AbstractThe stereoselective Rauhut–Currier (RC) reaction catalyzed by a cysteine derivative has been explored computationally with density functional theory (M06‐2X). Both methanethiol and a chiral cysteine derivative were studied as nucleophiles. The complete reaction pathway involves rate‐determining elimination of the thiol catalyst from the Michael addition product. The stereoselective Rauhut–Currier reaction, catalyzed by a cysteine derivative as a nucleophile, has also been studied in detail. This reaction was experimentally found to be extremely sensitive to the reaction conditions, such as the number of water equivalents and the effect of potassium counterion. The E1cB process for catalyst elimination has been explored computationally for the eight possible stereoisomers. The effect of explicit water solvation and the presence of counterion (either K+ or Na+) has been studied for the lowest energy enantiomer pair (1S, 2R, 3S)/(1R, 2S, 3R).
Oxazoline‐Based Organocatalyst for Enantioselective Strecker Reactions: A Protocol for the Synthesis of Levamisole
Authors: Sadhukhan Arghya , Sahu Debashis , Ganguly Bishwajit , Khan Noor‐ul H. , Kureshy Rukhsana I. , Abdi Sayed H. R. , Suresh E. , Bajaj Hari C. 
Published: September 2013

AbstractA chiral oxazoline‐based organocatalyst has been found to efficiently catalyze asymmetric Strecker reactions of various aromatic and aliphatic N‐benzhydrylimines with trimethylsilyl cyanide (TMSCN) as a cyanide source at −20 °C to give α‐aminonitriles in high yield (96 %) with excellent chiral induction (up to 98 % ee). DFT calculations have been performed to rationalize the enantioselective formation of the product with the organocatalyst in these reactions. The organocatalyst has been characterized by single‐crystal X‐ray diffraction analysis, as well as by other analytical methods. This protocol has been extended to the synthesis of the pharmaceutically important drug molecule levamisole in high yield and with high enantioselectivity.
Angular‐Resolved Magnetometry Beyond Triclinic Crystals: Out‐of‐Equilibrium Studies of Cp*ErCOT Single‐Molecule Magnet
Authors: Boulon Marie‐Emmanuelle , Cucinotta Giuseppe , Liu Shan‐Shan , Jiang Shang‐Da , Ungur Liviu , Chibotaru Liviu F. , Gao Song , Sessoli Roberta 
Published: September 2013

AbstractAngular‐resolved single‐crystal magnetometry is a key tool to characterise lanthanide‐based materials with low symmetry, for which conjectures based on idealised geometries can be totally misleading. Unfortunately the technique is strictly successful only for triclinic structures, thus reducing significantly its application. By collecting out‐of‐equilibrium magnetisation data the technique was extended to the orthorhombic organometallic Cp*ErCOT single‐molecule magnet (SMM), thus allowing for the first time the reconstruction of the molecular anisotropy tensor notwithstanding the two molecular orientations in the crystal lattice. The results, flanked by state‐of‐the‐art ab initio calculations, confirmed the expected orientation of the molecular easy axis of magnetisation and thus validated the synthetic strategy based on organometallic complexes of a single lanthanide ion.
ChemInform Abstract: Exploiting High Pressures to Generate Porosity, Polymorphism, and Lattice Expansion in the Nonporous Molecular Framework Zn(CN)2.
Authors: Lapidus Saul H. , Halder Gregory J. , Chupas Peter J. , Chapman Karena W. 
Published: September 2013

AbstractThe high‐pressure behavior of Zn(CN)2 is characterized by powder XRD.
ChemInform Abstract: The Impact of Three New Quaternary Sulfides on the Current Predictive Tools for Structure and Composition of Diamond‐Like Materials.
Authors: Brunetta Carl D. , Brant Jacilynn A. , Rosmus Kimberly A. , Henline Kylie M. , Karey Emma , MacNeil Joseph H. , Aitken Jennifer A. 
Published: September 2013

AbstractSingle crystalline diamond‐like Ag2FeSiS4 (I), Li2FeSnS4 (II), and Li2FeGeS4 (III) are prepared by solid state reaction of stoichiometric mixtures of Li2S and the respective elemental powders (graphite crucible in evacuated silica tube, 700 °C, 4 d).
ChemInform Abstract: Michael Addition of Ketones and Aldehydes to Maleimides Catalyzed by Modularly Designed Organocatalysts.
Authors: Muramulla Savitha , Ma Jun‐An , Zhao John Cong‐Gui 
Published: September 2013

AbstractModularly designed organocatalysts formed in situ from the self‐assembly of primary α‐amino acids and Cinchona alkaloid thioureas are found to be excellent catalysts for the enantioselective Michael addition of enolizable ketones and aldehydes (II) and (IV) to maleimides (I).
ChemInform Abstract: Thioacids Mediated Selective and Mild N‐Acylation of Amines.
Authors: Mali Sachitanand M. , Bhaisare Rupal D. , Gopi Hosahudya N. 
Published: September 2013

AbstractThe new method proceeds under mild conditions within very short reaction times and is applicable to a wide range of aromatic and aliphatic amines bearing various functional groups.
ChemInform Abstract: Aldol Reactions in Multicomponent Reaction Based Domino Pathways: A Multipurpose Enabling Tool in Heterocyclic Chemistry.
Authors: Xu Zhigang , De Moliner Fabio , Cappelli Alexandra P. , Hulme Christopher 
Published: September 2013

AbstractCombination of the aldol reaction with the Ugi multicomponent reaction affords highly functionalized mono‐ and polycyclic ring systems.