bluuebunny/crossref_metadata_2025_split huggingface dataset:
The Tyrosine Gate of the Bacterial Lectin FimH: A Conformational Analysis by NMR Spectroscopy and X‐ray Crystallography
Authors: Fiege Brigitte , Rabbani Said , Preston Roland C. , Jakob Roman P. , Zihlmann Pascal , Schwardt Oliver , Jiang Xiaohua , Maier Timm , Ernst Beat 
Published: May 2015

AbstractUrinary tract infections caused by uropathogenic E. coli are among the most prevalent infectious diseases. The mannose‐specific lectin FimH mediates the adhesion of the bacteria to the urothelium, thus enabling host cell invasion and recurrent infections. An attractive alternative to antibiotic treatment is the development of FimH antagonists that mimic the physiological ligand. A large variety of candidate drugs have been developed and characterized by means of in vitro studies and animal models. Here we present the X‐ray co‐crystal structures of FimH with members of four antagonist classes. In three of these cases no structural data had previously been available. We used NMR spectroscopy to characterize FimH–antagonist interactions further by chemical shift perturbation. The analysis allowed a clear determination of the conformation of the tyrosine gate motif that is crucial for the interaction with aglycone moieties and was not obvious from X‐ray structural data alone. Finally, ITC experiments provided insight into the thermodynamics of antagonist binding. In conjunction with the structural information from X‐ray and NMR experiments the results provide a mechanism for the often‐observed enthalpy–entropy compensation of FimH antagonists that plays a role in fine‐tuning of the interaction.
Synthesis, Characterization, and Theoretical Investigation of Two‐Coordinate Palladium(0) and Platinum(0) Complexes Utilizing π‐Accepting Carbenes
Authors: Roy Sudipta , Mondal Kartik Chandra , Meyer Jann , Niepötter Benedikt , Köhler Christian , Herbst‐Irmer Regine , Stalke Dietmar , Dittrich Birger , Andrada Diego M. , Frenking Gernot , Roesky Herbert W. 
Published: May 2015

AbstractAn elegant general synthesis route for the preparation of two coordinate palladium(0) and platinum(0) complexes was developed by reacting commercially available tetrakis(triphenylphosphine)palladium/platinum with π‐accepting cyclic alkyl(amino) carbenes (cAACs). The complexes are characterized by NMR spectroscopy, mass spectrometry, and single‐crystal X‐ray diffraction. The palladium complexes exhibit sharp color changes (crystallochromism) from dark maroon to bright green if the C‐Pd‐C bond angle is sharpened by approximately 6°, which is chemically feasible by elimination of one lattice THF solvent molecule. The analogous dark orange‐colored platinum complexes are more rigid and thus do not show this phenomenon. Additionally, [(cAAC)2Pd/Pt] complexes can be quasi‐reversibly oxidized to their corresponding [(cAAC)2Pd/Pt]+ cations, as evidenced by cyclic voltammetry measurements. The bonding and stability are studied by theoretical calculations.
Volatile Heterobimetallic Complexes from PdIIand CuIIβ‐Diketonates: Structure, Magnetic Anisotropy, and Thermal Properties Related to the Chemical Vapor Deposition of CuPd Thin Films
Authors: Krisyuk Vladislav V. , Baidina Iraida A. , Turgambaeva Asiya E. , Nadolinny Vladimir A. , Kozlova Svetlana G. , Korolkov Ilya V. , Duguet Thomas , Vahlas Constantin , Igumenov Igor K. 
Published: May 2015

AbstractA novel approach for preparing volatile heterometallic complexes for use as precursors for the chemical vapor deposition of various materials is reported. New CuPd complexes based on β‐diketonate units were prepared, and their structures and compositions were determined. [PdL2*CuL2] (1) and [PdL2*Cu(tmhd)2] (2) (L=2‐methoxy‐2,6,6‐trimethylheptane‐3,5‐dionate; tmhd=2,2,6,6‐ tetramethylheptane‐3,5‐dionate) are 1D coordination polymers with alternating metal complexes, which are connected through weak interactions between the Cu atoms and the OCH3groups from the ligand of the Pd complexes. The volatility and thermal stability were studied using thermogravimetric and differential thermal analyses and mass spectrometry. Compound1vaporizes without decomposition into monometallic complexes. It exhibits magnetic anisotropy, which was revealed from the angular variations in the EPR spectrum of a single crystal. The vapor thermolysis process for1was investigated using mass spectrometry, allowing the process to be framed within the temperature range of 200–350 °C. The experimental data, supported by QTAIM calculations of the allowed intermolecular interactions, suggest that1likely exists in the gas phase as bimetallic molecules. Compound1proved to be suitable as a single‐source precursor for the efficient preparation of CuPd alloy films with tunable Cu/Pd ratio. A possible mechanism for the film growth is proposed based on the reported data.
Treatment of chronic plantar ulcer of the diabetic foot using an irremovable windowed fibreglass cast boot: prospective study of 177 patients
Authors: Ha Van Georges , Michaux Caroline , Parquet Hugues , Bourron Olivier , Pradat‐Diehl Pascale , Hartemann Agnes 
Published: May 2015

SummaryThe objective of this study was to evaluate the level of healing of chronic neuropathic plantar ulcers, using an irremovable windowed fibreglass cast boot, which is only opened after healing. A single‐centre prospective study of a cohort of 177 diabetic patients with chronic neuropathic plantar ulcers was carried out. The duration of neuropathic plantar ulcers was 604 ± 808 days, with a mean surface area of 4.6 ± 6.5 cm2, a mean depth of 1.04 ± 1.08 cm and a mean volume of 5.9 ± 17.7 cm3. After a mean of 96 days of wearing a windowed fibreglass cast boot (min 9 days, max 664 days and median 68 days), the level of healing reached 83.6%, although 29 patients did not heal (16.4%). The compliance was at 95%. NPUs with bigger volumes (p = 0.037) and those located at the heels ( p = 0.004) had significantly lower healing levels. Twenty‐one patients had moderate peripheral arterial disease (12%), and 24 patients were ostectomized for underlying osteomyelitis (14%), before inclusion. Moderate peripheral arterial disease (p = 0.970) or operated osteomyelitis (p = 0.128) did not modify the level of healing significantly, which were of 81% and 70.8%, respectively. Complications include 12 ulcers due to the windowed fibreglass cast boot (i.e. 7%) and two other ulcers being moderately infected, resulting in 2% of toe amputation, but there was no major amputation or phlebitis. The treatment of old and deep NPUs of the diabetic foot by wearing a windowed fibreglass cast boot without opening the boot prior to healing offers very high ulcer recovery levels. Windowed fibreglass cast boots were changed in only 26 cases (14.6%). In addition, compliance was excellent and of the order of 95%. Furthermore, moderate peripheral arterial disease or a recent ostectomy did not affect the efficacy of windowed fibreglass cast boot. Copyright © 2015 John Wiley & Sons, Ltd.
Riparian community structure and soil properties of restored urban streams
Authors: Beauchamp Vanessa B. , Swan Christopher M. , Szlavecz Katalin , Hu Jason 
Published: May 2015

AbstractCommunity assembly and the resulting community structure reflect both local and regional processes. The relative importance, however, of each of these scales in most restoration contexts is unknown. Urban stream restoration, which often involves complete remodelling and replanting of the riparian zone, presents an opportunity to investigate the influences of local and regional processes on community assembly and local and regional biodiversity. Additionally, published outcomes of urban riparian restoration projects, particularly pertaining to plant community composition and soil properties, are lacking in the literature. The aim of this study was to compare the vegetation and soils of paired restored and unrestored urban stream reaches near Baltimore, Maryland. We found that the composition of the mature tree and sapling communities at restored sites differed significantly from that of unrestored sites, indicating that priority effects imposed via planting may dominate subsequent assembly of woody vegetation in urban riparian plant communities, at least in the short term. We also found disparate outcomes for both vegetation and soils at urban stream restoration sites in Baltimore as compared with other studies elsewhere in the mid‐Atlantic United States, but lack of long‐term data or information on specific restoration practices makes it difficult to draw connections between particular techniques and outcomes. Notably, both restored and unrestored reaches in the Baltimore area had very low levels of invasion by exotic tree species, and high levels of Pb and Zn in unrestored reaches and Ca in all reaches reflect the influence of the urban matrix on soil properties. Copyright © 2015 John Wiley & Sons, Ltd.
“Green Electrodes” Modified with Au Nanoparticles Synthesized in Glycerol, as Electrochemical Nitrite Sensor
Authors: Gobelli Dino , Mariano Correa N. , Fátima Barroso M. , Moyano Fernando , Molina Patricia G. 
Published: May 2015

AbstractA new environmentally friendly Au nanoparticles (Au NPs) synthesis in glycerol by using ultraviolet irradiation and without extra‐added stabilizers is described. The synthesis proposed in this work may impact on the non‐polluting production of noble nanoparticles with simple chemicals normally found in standard laboratories. These Au NPs were used to modify a carbon paste electrode (CPE) without having to separate them from the reaction medium. This green electrode was used as an electrochemical sensor for the nitrite detection in water. At the optimum conditions the green sensor presented a linear response in the 2.0×10−7–1.5×10−5 M concentration range, a good detection sensitivity (0.268 A L mol−1), and a low detection limit of 2.0×10−7 M of nitrite. The proposed modified green CPE was used to determine nitrite in tap water samples.
Use of the aquatic plant Elodea canadensis to assess toxicity and genotoxicity of Yenisei River sediments
Authors: Zotina Tatiana A. , Trofimova Elena A. , Medvedeva Marina Yu. , Dementyev Dmitry V. , Bolsunovsky Alexander Ya. 
Published: May 2015

Abstract

The toxicity, cytotoxicity, and genotoxicity of bulk sediments from the Yenisei River (Siberia, Russia) were estimated in laboratory bioassays based on several endpoints in the aquatic plant Elodea canadensis. The bottom sediment samples were collected in the Yenisei River upstream and downstream of the sources of chemical and radioactive contamination. The testing revealed different sensitivities of Elodea endpoints to the quality of the bottom sediment: weight of shoots &lt; length of shoots &lt; mitotic index &lt; length of roots &lt; percentage of abnormal cells. The response of the genotoxicity endpoint (percentage of cells with chromosome abnormalities in roots of Elodea) was the highest in sediments with chemical pollution, whereas the highest inhibition of toxicity endpoints (shoot and root length) occurred in sediments with the highest level of radioactive pollution. The extreme response of Elodea endpoints to the quality of certain sediment samples may be regarded as related to the possible presence of unknown toxicants. The results show that E. canadensis can be used as an indicator species in laboratory contact testing of bottom sediment. The responses of shoot and root length growth endpoints of Elodea can be recommended as basic sensitivity indicators of bottom sediment toxicity. Analysis of cells carrying abnormal chromosomes in the apical root meristem of Elodea can be performed optionally in the same test to assess the genotoxicity of sediments. Environ Toxicol Chem 2015;34:2310–2321. © 2015 SETAC
Firm‐Level Productivity Spillovers in China's Chemical Industry: A Spatial Hausman‐Taylor Approach
Authors: Baltagi Badi H. , Egger Peter H. , Kesina Michaela 
Published: May 2015

SummaryThis paper assesses intra‐sectoral spillovers in total factor productivity (TFP) across Chinese producers in the chemical industry using panel data on 12,552 firms observed over 2004‐2006. We specify TFP as a composite of observable factors such as export market participation, foreign as well as public ownership, the extent of accumulated intangible assets, and unobservable components. We introduce spatial spillovers in TFP through contextual effects of observable variables as well as spatial dependence of the disturbances, extending the Hausman and Taylor (1981) estimator to account for spatial correlation in the error term which may be homoskedastic or heteroskedastic. Copyright © 2015 John Wiley & Sons, Ltd.
The effect of wrist surgery on the kinematic consistency of joint axis reconstruction in a static posture
Authors: Kraszewski Andrew P. , Osei Daniel A. , Garg Rohit , Jang Eugene , Hillstrom Howard J. , Lenhoff Mark W. , Wolfe Scott W. 
Published: May 2015

ABSTRACTThree‐dimensional analysis of wrist motion is a growing focus in orthopedic research, however, our understanding of its validity (accuracy and reliability) remains limited. Nine human cadavers were tested to estimate wrist joint axes alignment in a postural static pose. The objective was to investigate a rater's ability to reliably align three skin‐ tracked wrist joint coordinate system (WJCS) definitions across baseline and reconstructive wrist states (intact, mid‐carpal arthrodesis, and proximal‐row carpectomy). Two WJCSs (legacy, anatomic) were based on palpated bony landmarks and the third (functional) was based on both landmarks and passive flexion‐extension motion. A coordinate frame based on the anatomic definition was tracked with bone pins and served as a reference. Each WJCS was tested in each wrist state and in three forearm position (45° pronation, neutral, 45° supination). The angular offset about each axis of the WJCS frames were calculated with respect to the reference in flexion‐extension, radial‐ulnar deviation, and pronation‐supination for every iteration. Reliability and root mean square deviation values were analyzed across wrist states. Our data suggest that no WJCS is uniformly more reliable than another. The functional WJCS definition was most consistent across intact and post‐operative states for pronation‐supination offset, but this was dependent on rater interpretation. It still however offers the practical benefit of requiring fewer landmarks. © 2015 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 33:1341–1347, 2015.
Minimal residual disease detection in autologous stem cell grafts from patients with high risk neuroblastoma
Authors: van Wezel Esther M. , Stutterheim Janine , Vree Florentien , Zappeij‐Kannegieter Lily , Decarolis Boris , Hero Barbara , Berthold Frank , Schumacher‐Kuckelkorn Roswitha , Simon Thorsten , Fiocco Marta , Voermans Carlijn , van Noesel Max M. , Caron Huib N. , van der Schoot C. Ellen , Tytgat Godelieve A. M. ,   for the GPOH MRD Study Group
Published: May 2015

AbstractBackgroundThe clinical significance of minimal residual disease (MRD) detected by real‐time quantitative PCR (qPCR) in autologous stem cell grafts in high risk neuroblastoma is still controversial. In this retrospective multicenter study, autologous stem cell grafts of a large cohort were studied using a panel of RNA markers.ProcedureFrom 104 patients with high risk neuroblastoma, who received autologous stem cell transplantation as first line treatment, 66 peripheral blood stem cells (PBSC) and 38 CD34+ selected grafts were retrospectively collected at 2 Dutch and 12 German centers between 1997 and 2010. To investigate graft contamination qPCR was performed by using 5 neuroblastoma specific markers (PHOX2B, TH, DDC, CHRNA3, and DBH).ResultsIn PBSC 6/66 (9%) and in CD34+ selected grafts 3/38 (8%) samples were contaminated. Graft contamination was not associated with an unfavorable outcome (5‐years OS, 66% vs. 50.5%; P = 0.6 and 5‐years EFS, 22% vs. 35%, P = 0.7). In multivariate Cox analysis BM MRD at time of harvest was significantly associated with survival (P = 0.008 OS and P = 0.002 EFS), but graft contamination was still not associated with an unfavorable outcome (P = 0.9 OS and P = 1 EFS).ConclusionsGraft contamination is very infrequent in this retrospective cohort of patients with no or minimal BM disease prior to stem cell collection and does not influence outcome in univariate and multivariate analysis. The presence of MRD at time of harvest is a strong outcome predictor. However, these results will have to be verified in a large prospective study. Pediatr Blood Cancer 2015;62:1368–1373. © 2015 Wiley Periodicals, Inc.
Clinical utility of bronchoalveolar lavage and respiratory tract biopsies in diagnosis and management of suspected invasive respiratory fungal infections in children
Authors: Batra Surabhi , Li Betty , Underhill Nicole , Maloney Rebekah , Katz Ben Z. , Hijiya Nobuko 
Published: May 2015

BackgroundBronchoscopy with bronchoalveolar lavage (BAL) and respiratory tract biopsies are important tools for diagnosing fungal infections in children with cancer and hematopoietic stem cell transplant (HSCT) recipients. Our objective was to evaluate the impact of BAL and respiratory tract biopsies on the management of suspected fungal infections in oncology and HSCT patients.ProcedureWe retrospectively reviewed the medical records of oncology and HSCT patients with possible, probable, or proven fungal infection of the respiratory tract and determined whether BAL or biopsy following computed tomography (CT) prompted a change in management.ResultsAmong 101 patients (0.5–29 years of age), 24 underwent a BAL and 31 had biopsies (27 lung and 4 sinus). The remaining 46 patients had CT scans only. Of these, there were radiographic findings suggestive of a fungal infection in 38 patients (83%). Thirty of these 38 patients (79%) had a change in management. BAL provided a diagnosis in 6 of 24 patients (25%). There was a change in management in 2 of the 6 (33%). Respiratory tract biopsy provided a diagnosis in 12 of 31 patients (39%). Biopsy results led to a change in management in 4 of the 12 patients (33%). Significant postoperative morbidity attributed to biopsy occurred in 3 of 31 patients (10%); 2 patients had pneumothorax requiring chest tube and intubation and a patient had prolonged intubation.ConclusionBAL and biopsy in children with an oncological diagnosis or those undergoing HSCT only infrequently lead to changes in management in the era of empiric therapy with broad‐spectrum anti‐fungal agents. Pediatr Blood Cancer 2015;62:1579–1586. © 2015 Wiley Periodicals, Inc.
Das menschliche Auge
Authors: Ehrmann Andrea , Błachowicz Tomasz 
Published: May 2015

AbstractUnser Auge funktioniert physikalisch wie eine Kamera mit Linse und Blende. Sehfehler wie Kurz‐ oder Weitsichtigkeit können heutzutage durch Brillen mit geschliffenen Gläsern oder Kontaktlinsen ausgeglichen werden. Ohne Sehhilfen können Kurzsichtige sich durch Zusammenkneifen der Augen helfen, was Schlitzblenden formt. Diese blenden die Randstrahlen aus und erhöhen so die Schärfe des Bildes auf der Netzhaut – auf Kosten der Helligkeit. Noch stärker ist dieser Effekt beim Blick durch eine Lochblende. Sogenannte Rasterbrillen versuchen, durch viele kleine Löcher den Nachteil des Lichtverlusts teilweise auszugleichen. Sie funktionieren aber unbefriedigend und können medizinische Probleme verursachen.
Messung atomarer elektrischer Felder
Authors: Müller‐Caspary Knut 
Published: May 2015

AbstractDank der enormen Weiterentwicklung aberrationskorrigierter Elektronenoptik erreicht die Raster‐Transmissionselektronenmikroskopie (STEM) heute eine Auflösung von 50 pm (1 pm = 10–12 m). Damit eröffnet sich der Blick in subatomare Details, wie atomare elektrische Felder oder Ladungstransfers bei chemischen Bindungen.
Milch‐Ingwer‐Pudding à la minute
Authors: Vilgis Thomas 
Published: May 2015

AbstractDie traditionelle chinesische Küche ist immer für Überraschungen gut: Aus heißer, frischer Milch, einem Stück Ingwer und etwas Zucker lässt sich ein stichfester Pudding zaubern. Das Dessert entsteht ganz von selbst, denn ein proteinspaltendes Enzymgemisch (Zingibain) destabilisiert und geliert die Milch in weniger als 30 Minuten.
Sox2 Deacetylation by Sirt1 Is Involved in Mouse Somatic Reprogramming
Authors: Mu Wen-Li , Wang Ya-Jun , Xu Peng , Hao De-Long , Liu Xiu-Zhen , Wang Ting-Ting , Chen Feng , Chen Hou-Zao , Lv Xiang , Liu De-Pei 
Published: May 2015

Abstract
Mouse somatic cells can be reprogrammed into induced pluripotent stem cells by defined factors known to regulate pluripotency, including Oct4, Sox2, Klf4, and c-Myc. Together with Oct4, Sox2 plays a major role as a master endogenous pluripotent genes trigger in reprogramming. It has been reported that Sirtuin 1 (Sirt1), a member of the Sirtuin family of NAD+-dependent protein deacetylases, is involved in embryonic stem cell antioxidation, differentiation, and individual development. However, as a deacetylation enzyme, whether Sirt1 influences reprogramming through its post-translational modification function remains unknown. In this study, we provide evidence that deacetylation of Sox2 by Sirt1 is required for reprogramming. We found that a low level of Sox2 acetylation could significantly increase reprogramming efficiency. Furthermore, we found that Sox2 can be deacetylated by Sirt1 in an Oct4-mediated manner. Compared with wild-type cells, Sirt1-null mouse embryonic fibroblasts exhibit decreased reprogramming efficiency, and overexpression of Sirt1 rescues this defect. In addition, Sirt1 functions in the regulation of reprogramming through deacetylating Sox2. Taken together, we have identified a new regulatory role of Sirt1 in reprogramming and provided a link between deacetylation events and somatic cell reprogramming. Stem Cells 2015;33:2135–2147
Neoproterozoic collisional S-type granitoids of the Yenisei Ridge: petrogeochemical composition and U–Pb, Ar–Ar, and Sm–Nd isotope data
Authors: Nozhkin A.D. , Popov N.V. , Dmitrieva N.V. , Storozhenko A.A. , Vasil’ev N.F. 
Published: May 2015

Abstract
Collisional granitoid magmatism caused by the Early Neoproterozoic orogeny in the west of the Siberian craton is considered. New data on the petrogeochemical composition, U–Pb (SHRIMP II), Ar–Ar, and Sm–Nd isotopic ages of the Middle Tyrada granitoid massif in the northwestern Yenisei Ridge are presented. Plagiogranites, granodiorites, and quartz diorites of the massif are of calcareous and calc-alkalic composition. The elevated alumina contents and presence of accessory garnet permit them to be assigned to S-type granitoids. Their spidergrams show Rb, Ba, and Th enrichment, minimum Nb, P, and Ti contents, and no Sr depletion. The granitoids formed through the melting of plagioclase-enriched graywacke source, obviously Paleoproterozoic metaterrigenous rocks of the Garevka Formation and Teya Group (TNd(DM) = 2.0–2.5 Ga), judging from the isotope composition of the granitoids (TNd(DM-2st) = 2200 Ma and εNd(T) = –6.0) and the presence of ancient zircon cores (1.80–1.85 Ga). Formation of granitoids took place in the final epoch of the Grenville collision events in the late Early Neoproterozoic (U–Pb zircon age is 857.0 ± 9.5 Ma). In the Late Neoproterozoic, the granitoids underwent tectonothermal reworking caused by Vendian accretion and collision events on the southwestern margin of the Siberian craton, which explain the younger K–Ar biotite age, 615.5 ± 6.3 Ma.