bluuebunny/crossref_metadata_2025_split huggingface dataset:
Cholera in the Lake Kivu region (DRC): Integrating remote sensing and spatially explicit epidemiological modeling
Authors: Finger Flavio , Knox Allyn , Bertuzzo Enrico , Mari Lorenzo , Bompangue Didier , Gatto Marino , Rodriguez‐Iturbe Ignacio , Rinaldo Andrea 
Published: June 2014

AbstractMathematical models of cholera dynamics can not only help in identifying environmental drivers and processes that influence disease transmission, but may also represent valuable tools for the prediction of the epidemiological patterns in time and space as well as for the allocation of health care resources. Cholera outbreaks have been reported in the Democratic Republic of the Congo since the 1970s. They have been ravaging the shore of Lake Kivu in the east of the country repeatedly during the last decades. Here we employ a spatially explicit, inhomogeneous Markov chain model to describe cholera incidence in eight health zones on the shore of the lake. Remotely sensed data sets of chlorophyll a concentration in the lake, precipitation and indices of global climate anomalies are used as environmental drivers in addition to baseline seasonality. The effect of human mobility is also modelled mechanistically. We test several models on a multiyear data set of reported cholera cases. The best fourteen models, accounting for different environmental drivers, and selected using the Akaike information criterion, are formally compared via proper cross validation. Among these, the one accounting for seasonality, El Niño Southern Oscillation, precipitation and human mobility outperforms the others in cross validation. Some drivers (such as human mobility and rainfall) are retained only by a few models, possibly indicating that the mechanisms through which they influence cholera dynamics in the area will have to be investigated further.
Global‐scale assessment of groundwater depletion and related groundwater abstractions: Combining hydrological modeling with information from well observations and GRACE satellites
Authors: Döll Petra , Müller Schmied Hannes , Schuh Carina , Portmann Felix T. , Eicker Annette 
Published: June 2014

AbstractGroundwater depletion (GWD) compromises crop production in major global agricultural areas and has negative ecological consequences. To derive GWD at the grid cell, country, and global levels, we applied a new version of the global hydrological model WaterGAP that simulates not only net groundwater abstractions and groundwater recharge from soils but also groundwater recharge from surface water bodies in dry regions. A large number of independent estimates of GWD as well as total water storage (TWS) trends determined from GRACE satellite data by three analysis centers were compared to model results. GWD and TWS trends are simulated best assuming that farmers in GWD areas irrigate at 70% of optimal water requirement. India, United States, Iran, Saudi Arabia, and China had the highest GWD rates in the first decade of the 21st century. On the Arabian Peninsula, in Libya, Egypt, Mali, Mozambique, and Mongolia, at least 30% of the abstracted groundwater was taken from nonrenewable groundwater during this time period. The rate of global GWD has likely more than doubled since the period 1960–2000. Estimated GWD of 113 km3/yr during 2000–2009, corresponding to a sea level rise of 0.31 mm/yr, is much smaller than most previous estimates. About 15% of the globally abstracted groundwater was taken from nonrenewable groundwater during this period. To monitor recent temporal dynamics of GWD and related water abstractions, GRACE data are best evaluated with a hydrological model that, like WaterGAP, simulates the impact of abstractions on water storage, but the low spatial resolution of GRACE remains a challenge.
Genuine Geruchssignaturen der Natur – Perspektiven aus der Lebensmittelchemie für die Biotechnologie
Authors: Dunkel Andreas , Steinhaus Martin , Kotthoff Matthias , Nowak Bettina , Krautwurst Dietmar , Schieberle Peter , Hofmann Thomas 
Published: June 2014

AbstractDie Geruchsqualitäten natürlicher Duftobjekte werden durch die geruchsstoffinduzierten Aktivierungsmuster olfaktorischer Rezeptoren definiert. Die Meta‐Analyse in diesem Aufsatz zeigt, dass von den bislang ca. 10 000 in Lebensmitteln identifizierten flüchtigen Verbindungen nur ca. 230 zu den genuinen Schlüsselgeruchsstoffen zählen und der typische Geruch von Lebensmitteln durch das charakteristische Verhältnis von nur 3–40 dieser Verbindungen kodiert wird. Dies lässt auf eine Coevolution natürlicher Geruchsstoffmoleküle unserer Nahrung und der etwa 400 humanen Geruchsrezeptorproteine schließen. Der Aufsatz gibt einen Überblick über die genuinen Signaturen natürlicher Geruchsobjekte und die chemische Geruchskodierung von mehr als 220 Lebensmitteln. Es werden biotechnologische Perspektiven für die Herstellung biomimetischer Rekombinate diskutiert, mit denen erstmals die authentische Rekonstruktion natürlicher Geruchssignaturen zur Verwendung in Aromen und Parfüms, biomedizinischen Applikationen, virtuellen Umgebungen oder humanoiden bioelektronischen Nasen möglich wird.
Von einem α‐funktionalisierten siliciumstereogenen N,O‐Silan zu einem monomeren tetrakoordinierten tBuLi‐Addukt mit lithiumzentrierter Chiralität
Authors: Bauer Jonathan O. , Strohmann Carsten 
Published: June 2014

AbstractDonorfunktionalisierte Silane mit stereogenen Siliciumzentren sind bislang äußerst selten. Hier präsentieren wir nun eine stereokontrollierte Route zu einer Stickstoff‐Sauerstoff‐funktionalisierten siliciumchiralen Verbindung mit zusätzlicher Aminomethylfunktion. Dieses Silan wurde auf direktem Wege in stereochemisch reiner Form über eine nucleophile Substitutionsreaktion gewonnen. Die einzigartige Asymmetrie des Silans und die Anwesenheit von drei Donorfunktionen machten es möglich, die erste monomere Butyllithiumverbindung mit lithiumzentrierter Chiralität zu isolieren und ihr durch Einkristallröntgenstrukturanalyse eine definierte Konfiguration zuzuordnen. Der [Silan⋅tBuLi]‐Komplex unterliegt in Toluol einer unerwarteten Reaktionsfolge aus Deprotonierung und stereospezifischer Substitution, was schließlich zur Eintopfsynthese eines funktionalisierten siliciumchiralen Benzylsilans unter Inversion der Konfiguration und vollständiger Erhaltung der stereochemischen Integrität am Siliciumzentrum führte.
Hydrogen Storage in a Potassium‐Ion‐Bound Metal–Organic Framework Incorporating Crown Ether Struts as Specific Cation Binding Sites
Authors: Lim Dae‐Woon , Chyun Seung An , Suh Myunghyun Paik 
Published: June 2014

AbstractTo develop a metal–organic framework (MOF) for hydrogen storage, SNU‐200 incorporating a 18‐crown‐6 ether moiety as a specific binding site for selected cations has been synthesized. SNU‐200 binds K+, NH4+, and methyl viologen(MV2+) through single‐crystal to single‐crystal transformations. It exhibits characteristic gas‐sorption properties depending on the bound cation. SNU‐200 activated with supercritical CO2 shows a higher isosteric heat (Qst) of H2 adsorption (7.70 kJ mol−1) than other zinc‐based MOFs. Among the cation inclusions, K+ is the best for enhancing the isosteric heat of the H2 adsorption (9.92 kJ mol−1) as a result of the accessible open metal sites on the K+ ion.
Reversible photochemische und thermische Isomerisierung von Azaboratabisnorcaradien zu Azaborabenzotropyliden
Authors: Rao Ying‐Li , Hörl Christian , Braunschweig Holger , Wang Suning 
Published: June 2014

AbstractDurch Photoisomerisierung von N‐Methyl‐2‐phenylimidazolyl‐chelatisierten Dimesitylboranen wurden zwei neue tricyclische 1,2‐Azaboratabisnorcaradiene (1 b und 2 b) hergestellt. Diese zeigen nach Bestrahlung bei 350 nm einen eindeutigen Farbumschlag als Folge einer ungewöhnlichen Photoisomerisierung, welche die ersten Beispiele für 1,2‐Azaborabenzotropylidene (1 c und 2 c) liefert. Die Verbindungen 1 c und 2 c beinhalten eine konjugierte Alkylidenboraneinheit und können thermisch vollständig zu 1 b und 2 b bzw. zu 1 a und 2 a zurückreagieren. Der Mechanismus der beiden neuen Isomere wurde anhand von DFT‐Rechnungen untersucht und verläuft über eine “Walk”‐Umlagerung.
Elucidation of Pseurotin Biosynthetic Pathway Points to Trans‐Acting C‐Methyltransferase: Generation of Chemical Diversity
Authors: Tsunematsu Yuta , Fukutomi Manami , Saruwatari Takayoshi , Noguchi Hiroshi , Hotta Kinya , Tang Yi , Watanabe Kenji 
Published: June 2014

AbstractPseurotins comprise a family of structurally related Aspergillal natural products having interesting bioactivity. However, little is known about the biosynthetic steps involved in the formation of their complex chemical features. Systematic deletion of the pseurotin biosynthetic genes in A. fumigatus and in vivo and in vitro characterization of the tailoring enzymes to determine the biosynthetic intermediates, and the gene products responsible for the formation of each intermediate, are described. Thus, the main biosynthetic steps leading to the formation of pseurotin A from the predominant precursor, azaspirene, were elucidated. The study revealed the combinatorial nature of the biosynthesis of the pseurotin family of compounds and the intermediates. Most interestingly, we report the first identification of an epoxidase C‐methyltransferase bifunctional fusion protein PsoF which appears to methylate the nascent polyketide backbone carbon atom in trans.
Nature’s Chemical Signatures in Human Olfaction: A Foodborne Perspective for Future Biotechnology
Authors: Dunkel Andreas , Steinhaus Martin , Kotthoff Matthias , Nowak Bettina , Krautwurst Dietmar , Schieberle Peter , Hofmann Thomas 
Published: June 2014

AbstractThe biocatalytic production of flavor naturals that determine chemosensory percepts of foods and beverages is an ever challenging target for academic and industrial research. Advances in chemical trace analysis and post‐genomic progress at the chemistry–biology interface revealed odor qualities of nature’s chemosensory entities to be defined by odorant‐induced olfactory receptor activity patterns. Beyond traditional views, this review and meta‐analysis now shows characteristic ratios of only about 3 to 40 genuine key odorants for each food, from a group of about 230 out of circa 10 000 food volatiles. This suggests the foodborn stimulus space has co‐evolved with, and roughly match our circa 400 olfactory receptors as best natural agonists. This perspective gives insight into nature’s chemical signatures of smell, provides the chemical odor codes of more than 220 food samples, and beyond addresses industrial implications for producing recombinants that fully reconstruct the natural odor signatures for use in flavors and fragrances, fully immersive interactive virtual environments, or humanoid bioelectronic noses.
From an α‐Functionalized Silicon‐Stereogenic N,O‐Silane to a Monomeric and Tetracoordinate tBuLi Adduct with Lithium‐Centered Chirality
Authors: Bauer Jonathan O. , Strohmann Carsten 
Published: June 2014

AbstractDonor‐functionalized silanes with stereogenic silicon centers are extremely rare. A convenient stereocontrolled route to a nitrogen‐oxygen‐functionalized silicon‐chiral compound with an additional aminomethyl function is presented. This silane was directly achieved in stereochemically pure form by a simple nucleophilic substitution reaction. Owing to the unique asymmetry of this silane and the presence of three donor functions, the first monomeric butyllithium compound with lithium‐centered chirality could be isolated; the configuration was assigned by X‐ray crystallography. This [silane⋅ tBuLi] complex undergoes an unexpected deprotonation/stereospecific substitution sequence in toluene, leading to the development of a convenient one‐pot synthesis of a functionalized silicon‐chiral benzylsilane, which proceeds with inversion of configuration and complete preservation of the stereochemical integrity at silicon.
Reversible Photochemical and Thermal Isomerization of Azaboratabisnorcaradiene to Azaborabenzotropilidene
Authors: Rao Ying‐Li , Hörl Christian , Braunschweig Holger , Wang Suning 
Published: June 2014

AbstractTwo new tricyclic 1,2‐azaboratabisnorcaradiene molecules (1 b and 2 b) generated through the photoisomerization of N‐methyl‐2‐phenylimidazolyl‐chelated dimesitylboranes (1 a and 2 a) have been found to undergo unusual photoisomerization, producing the first examples of 1,2‐azaborabenzotropilidenes (1 c and 2 c), accompanied by a distinct color change, upon irradiation at 350 nm. Compounds 1 c and 2 c contain a conjugated alkylideneborane unit and can be fully reverted back to 1 b and 2 b, and subsequently to 1 a and 2 a upon heating. The mechanistic pathway of the new isomerism has been established to involve “walk” rearrangements by DFT computational studies.
Rituximab With or Without a Conventional Maintenance Agent in the Treatment of Relapsing Granulomatosis With Polyangiitis (Wegener's): A Retrospective Single‐Center Study
Authors: Azar Lama , Springer Jason , Langford Carol A. , Hoffman Gary S. 
Published: June 2014

ObjectiveTo evaluate the efficacy and safety of rituximab (RTX) induction therapy and the duration of remission, when RTX is used with or without a conventional maintenance agent, in a cohort of patients with granulomatosis with polyangiitis (Wegener's) (GPA).MethodsThis was a retrospective, single‐center study of patients with relapsing GPA treated with at least 1 course of RTX (4 weekly doses of 375 mg/m2 intravenously [IV] or 2 fixed doses of 1,000 mg IV 2 weeks apart). Complete remission was defined as the absence of disease activity measured by a Birmingham Vasculitis Activity Score for Wegener's granulomatosis of 0 and not qualified by the prednisone dosage at the time.ResultsEighty‐nine patients achieved remission after their first course of RTX and were not re‐treated preemptively with RTX to maintain remission of their disease during followup. Among these patients, relapse‐free survival was significantly higher in those who received a conventional maintenance agent (azathioprine, methotrexate, or mycophenolate mofetil) in conjunction with RTX and glucocorticoids (n = 47) than in those who received no additional immunosuppressive agent (n = 42) (P = 0.04). The hazard ratio of relapse in those receiving a maintenance agent was 0.53 (95% confidence interval 0.29–0.97). Serious adverse events did not differ between the 2 groups. Within a subset of 15 patients in the cohort who were relapse free 2 years after 1 course of RTX, remissions endured for 2–6 years in 8 patients.ConclusionRTX is an effective remission‐inducing agent in GPA. The addition of a conventional maintenance agent to RTX and glucocorticoids decreased the incidence of relapse and did not result in a higher incidence of adverse events.
DNA Microarray Analysis of Labial Salivary Glands in IgG4‐Related Disease: Comparison With Sjögren's Syndrome
Authors: Tsuboi Hiroto , Nakai Yuji , Iizuka Mana , Asashima Hiromitsu , Hagiya Chihiro , Tsuzuki Sayaka , Hirota Tomoya , Miki Haruka , Hagiwara Shinya , Kondo Yuya , Tanaka Akihiko , Moriyama Masafumi , Matsumoto Isao , Nakamura Seiji , Yoshihara Toshio , Abe Keiko , Sumida Takayuki 
Published: June 2014

ObjectiveTo compare gene expression in labial salivary glands (LSGs) from patients with IgG4‐related disease with that in LSGs from patients with Sjögren's syndrome (SS).MethodsGene expression was analyzed by DNA microarray in LSG samples from 5 patients with IgG4‐related disease, 5 SS patients, and 3 healthy controls. Genes differentially expressed in IgG4‐related disease and SS were identified, and gene annotation enrichment analysis of these differentially expressed genes was performed using Gene Ontology (GO) annotation. Validation of the results was performed by quantitative polymerase chain reaction (PCR) using LSG samples from 9 patients with IgG4‐related disease, 10 SS patients, and 4 controls.ResultsGene expression patterns in patients with IgG4‐related disease, SS patients, and healthy controls were quite different from each other in hierarchical clustering as well as in principal components analysis. In IgG4‐related disease compared with SS, a total of 1,771 probe sets (corresponding to 1,321 genes) were identified as up‐regulated, and 1,785 probe sets (corresponding to 1,320 genes) were identified as down‐regulated (false discovery rate of <5%). GO term analysis indicated that the up‐regulated set of differentially expressed genes in IgG4‐related disease encoded proteins that function in cell proliferation, extracellular matrix organization, and organ development. PCR validated significantly higher expression of lactotransferrin in patients with IgG4‐related disease than in SS patients (P < 0.05) and significantly higher expression of CCL18 in patients with IgG4‐related disease than in SS patients and controls (P < 0.05).ConclusionThe results clearly showed that the gene expression pattern in LSGs from patients with IgG4‐related disease is different from that in LSGs from SS patients.
SERS Imaging of Cell‐Surface Biomolecules Metabolically Labeled with Bioorthogonal Raman Reporters
Authors: Xiao Ming , Lin Liang , Li Zefan , Liu Jie , Hong Senlian , Li Yaya , Zheng Meiling , Duan Xuanming , Chen Xing 
Published: June 2014

AbstractLive imaging of biomolecules with high specificity and sensitivity as well as minimal perturbation is essential for studying cellular processes. Here, we report the development of a bioorthogonal surface‐enhanced Raman scattering (SERS) imaging approach that exploits small Raman reporters for visualizing cell‐surface biomolecules. The cells were cultured and imaged by SERS microscopy on arrays of Raman‐enhancing nanoparticles coated on silicon wafers or glass slides. The Raman reporters including azides, alkynes, and carbondeuterium bonds are small in size and spectroscopically bioorthogonal (background‐free). We demonstrated that various cell‐surface biomolecules including proteins, glycans, and lipids were metabolically incorporated with the corresponding precursors bearing a Raman reporter and visualized by SERS microscopy. The coupling of SERS microscopy with bioorthogonal Raman reporters expands the capabilities of live‐cell microscopy beyond the modalities of fluorescence and label‐free imaging.
Bühnen des Kapitalismus: Der Getreidehandel als Wissensobjekt zwischen den Weltkriegen
Authors: Dommann Monika 
Published: June 2014

AbstractSummary: Capitalism on Stage: Grain Trade as Objects of Knowledge During the Interwar Period. Between 1900 and 1930 the worldwide grain markets attained considerable attention in literature (Frank Norris’ novel The Pit of 1903), cinema (D. W. Griffith’s A Corner in Wheat of 1909), theatre (Bertolt Brecht’s unfinished play fragment Jae Fleischhacker in Chikago, 1924–1926), politics (e. g. Report of the Federal Trade Commission on the Grain Trade, 1920–1926) and economics (e. g. Wheat Studies by the Food Research Institute at Stanford University, 1924–1944). The paper discusses grain trade as objects of knowledge in paradoxical situations and entails a parallel reading of these texts by analyzing their epistemic practices and narrative techniques. Bertolt Brecht’s comprehensive plan to depict the laws of the allocation and distribution of grain markets on stage failed in 1926 and he turned to Marxism. In the meantime economic research focused on the aggregation of statistics relating to world grain supplies and prices. Studies about the relation between changes in the volumes of stocks and phases of trade cycles served furthermore as material for John Maynard Keynes’ abolition of the classical theory around 1930.
The neuroanatomical correlates of anxiety in a healthy population: differences between the State‐Trait Anxiety Inventory and the Hamilton Anxiety Rating Scale
Authors: Donzuso Giulia , Cerasa Antonio , Gioia Maria C. , Caracciolo Manuela , Quattrone Aldo 
Published: June 2014

AbstractObjectivesThe State‐Trait Anxiety Inventory (STAI) and the Hamilton scale for anxiety (HARS) are two of the most important scales employed in clinical and psychological realms for the evaluation of anxiety. Although the reliability and sensibility of these scales are widely demonstrated there is an open debate on what exactly their scores reflect. Neuroimaging provides the potential to validate the quality and reliability of clinical scales through the identification of specific biomarkers. For this reason, we evaluated the neural correlates of these two scales in a large cohort of healthy individuals using structural neuroimaging methods.Case reportNeuroimaging analysis included thickness/volume estimation of cortical and subcortical limbic structures, which were regressed on anxiety inventory scores with age and gender used for assessing discriminant validity. A total of 121 healthy subjects were evaluated. Despite the two anxiety scales, at a behavioral level, displaying significant correlations among them (HARS with STAI‐state (r = 0.24; P = 0.006) and HARS with STAI‐trait (r = 0.42; P < 0.001)), multivariate neuroimaging analyses demonstrated that anatomical variability in the anterior cingulate cortex was the best predictor of the HARS scores (all β's ≥ 0.31 and P's ≤ 0.01), whereas STAI‐related measures did not show any significant relationship with regions of limbic circuits, but their scores were predicted by gender (all β's ≥ 0.23 and P's ≤ 0.02).ConclusionAlthough the purpose of HARS and STAI is to quantify the degree and characteristics of anxiety‐like behaviors, our neuroimaging data indicated that these scales are neurobiologically different, confirming that their scores might reflect different aspects of anxiety: the HARS is more related to subclinical expression of anxiety disorders, whereas the STAI captures sub‐dimensions of personality linked to anxiety.
Dihydrogen Activation by a Silylium Silylene Frustrated Lewis Pair and the Unexpected Isomerization Reaction of a Protonated Silylene
Authors: Schäfer Annemarie , Reißmann Matti , Schäfer André , Schmidtmann Marc , Müller Thomas 
Published: June 2014

AbstractThe isolable silylene 1 forms a frustrated Lewis pair with silylium ion 2 that is able to split hydrogen under ambient conditions. The protonated silylene 3 obtained in this reaction isomerizes to yield the hydrogen‐bridged disilyl cation 4. Cation 4 is fully characterized by NMR spectroscopy and by XRD analysis. Its formation via the protonated silylene 3 is indicated by independent synthesis of cation 3 by hydride abstraction from the corresponding dihydridosilane 11 and is further supported by the results of density functional calculations.
On the loadbearing capacity of masonry walls subjected to concentrated end strip loads / Zur Beanspruchbarkeit von Mauerwerkwänden durch Teilflächenlasten an Wandenden
Authors: Gunkler Erhard , Dashkhuu Odontsetseg 
Published: June 2014

AbstractConcentrated loads in masonry walls are caused by point loads resulting from beams or columns perpendicular to the horizontal joint. In theory, locally occurring multi‐axial stress conditions lead to compressive stress underneath the area subjected to the load, the numerical values of which are greater than the mono‐axial compressive strength of the masonry. Load increase factors derived from this and stated in [1] and [2] were last determined in Germany approx. 30 years ago [3] using standard test specimens (in accordance with [4]) and not using walls. The types of masonry investigated at the time were made up of types and sizes of masonry units and of types of mortar and joint configurations that were common at the time; this however no longer appears current. The loadbearing capacity of the wall was completely ignored. In view of current structural design methods based on EC 6 [5] where applied and internal force variables in building elements are compared, this remains unsatisfactory.For this reason, experimental and theoretical investigations of partially loaded walls (l/h/t = 1.875/1.75/0.115 m) made of aerated concrete and brick masonry with thin‐layer mortar were carried out at the Ostwestfalen‐Lippe University of Applied Sciences. In addition to the type of masonry unit, the detail of the perpendicular joint was varied (with mortar (v) versus without mortar (uv)). Below follows a report on the result of these investigations.