bluuebunny/crossref_metadata_2025_split huggingface dataset:
Anorganische Molekülchemie
Authors: Böttcher Tobias , Kretschmer Robert 
Published: March 2016

AbstractHauptgruppenelemente: Carbonylverbindungen eines p‐Blockelements, ein Lewispaar, in dem Phosphor gleich doppelt frustriert ist, die erste Kristallstruktur eines Edelgasdikations. Koordinationschemie: Isolierung des ersten stabilen Dimetalloxycarbens, warum [Ni{N(SiMe3)2}2] so instabil ist, niedervalente Mono‐ und Dikationen von Pb(II). Bioanorganik: Trimetallische Verbindungen wirken antibakteriell, poröse Fe‐ und Co‐Verbindungen speichern Methan bei moderatem Druck, ein molekularer magnetischer Schalter.
Lebensmittelchemie
Authors: Meckelmann Sven , Schebb Nils‐Helge 
Published: March 2016

AbstractViele Lebensmittelinhaltsstoffe wirken auf die menschliche Gesundheit. Um den molekularen Mechanismus dieser Wirkung zu untersuchen, werden in der Lebensmittelchemie zunehmend Metabolomics‐Techniken eingesetzt. Targeted Metabolomics erfasst dabei quantitativ die Stoffflüsse innerhalb eines biologischen Systems, während Non‐targeted Metabolomics Stoffwechselintermediate zu detektieren versucht, etwa Lipide (Lipodomics).
Vom Reagenzglas in die Zelle
Authors: Gnutt David , Ebbinghaus Simon , Heyden Matthias 
Published: March 2016

AbstractDie molekularen Prozesse des Lebens in Zellen finden auf engstem Raum statt, unter Bedingungen, die im Reagenzglas kaum nachgestellt werden können. In‐Zell‐Experimente und Simulationen entschlüsseln Funktion und Struktur von Proteinen. Eine neue spektroskopische Methode auf Basis hochauflösender Rotationsspektroskopie unterscheidet Enantiomere in der Gasphase. Sie ist auf Moleküle mit mehreren stereogenen Zentren anwendbar wie auf chirale Mischungen, und zwar ohne Aufbereitung. Neuentwicklungen in der ultraschnellen Spektroskopie verbinden zeitliche mit räumlicher Information. Dies eröffnet Möglichkeiten, photoinduzierte Prozesse in Funktionsmaterialien, etwa Polymerhalbleitern, aufzuklären. Isolierte Moleküle können mit Hilfe starker elektrischer Felder gezielt nach Größe, Form, Struktur und sogar nach ihrem Quantenzustand sortiert und dann im Raum orientiert werden.
Machine‐Learning‐Potenziale
Authors: Behler Jörg 
Published: March 2016

AbstractMachine‐Learning‐Potenziale bieten oft einen Ausweg, wenn Elektronenstrukturrechnungen zu aufwendig sind und alternative Potenziale mit ausreichender Genauigkeit fehlen. In der Röntgenspektroskopie treiben neue Experimente die theoretische Methodenentwicklung an. Theoretische Untersuchungen tragen zudem zum grundsätzlichen Verständnis des Ladungs‐ und Energietransports in organischen Materialien bei.
Organische Chemie
Authors: Itzen Aymelt , Schaschke Norbert , Beifuss Uwe , Lehmann Matthias , Krueger Anke , Beuerle Florian , Senge Mathias O. , Breinbauer Rolf , Mück‐Lichtenfeld Christian , Müller Thomas J. J. , Denißen Melanie , Lindel Thomas , Pietruszka Jörg , Worgull Dennis , Gulder Tobias , Paradies Jan , Muñiz Kilian , Bach Thorsten , Ditrich Klaus , Winter Christian , Kordes Markus , von Deyn Wolfgang , Pfau Roland , Muhle‐Goll Claudia , Luy Burkhard , Werz Daniel B. , Arenz Christoph , Hüttel Wolfgang , Andexer Jennifer N. , Straub Bernd F. 
Published: March 2016

AbstractSiliciumrhodaminderivate weisen Formaldehyd nach – neues Nanomaterial: Graphitphasen polymeren Kohlenstoffnitrids – molekulare Drähte – homogene Cof‐Dünnschichten bei Raumtemperatur – Biosyntheserekord: 1,8 MDa großes kolGen – [3,3]‐sigmatrope Umlagerung führt zu quartären Stereozentren.
Regionaltreffen der FCI‐Stipendiaten in Braunschweig
Authors: Teschmit Nicole , Wulff Bastian R. 
Published: March 2016

AbstractAnfang Dezember 2015 präsentierten die FCI‐Stipendiaten aus Braunschweig, Hamburg, Kiel und Leipzig ihre Forschung an der TU Braunschweig. Das Treffen organisierte Daniel B. Werz, Professor für organische Chemie.
Ernst‐Haage‐Symposium im MPI Mülheim
Authors: Ernst Christin 
Published: March 2016

AbstractDas Mülheimer Max‐Planck‐Institut für Chemische Energiekonversion (MPI CEC) richtete Anfang Dezember 2015 ein international besetztes Symposium zu Energieforschung aus. Zehn Wissenschaftler präsentierten ihre aktuellen Ergebnisse und diskutierten mit den Teilnehmern. Den Abschluss des dreitägigen Symposiums bildete die Verleihung des Ernst‐Haage‐Preises, den MPI CEC und Ernst‐Haage‐Stiftung jährlich vergeben.
Vorstandssitzung
Authors: Koch Wolfram 
Published: March 2016

AbstractZur letzten Sitzung seiner vierjährigen Amtsperiode traf sich der Vorstand der Gesellschaft Deutscher Chemiker am 15. Dezember 2015 auf Einladung von ALTANA, Wesel. Als besonderen Gast begrüßte der Präsident, Dr. Thomas Geelhaar, den Vorsitzenden der Wasserchemischen Gesellschaft – Fachgruppe in der GDCh, Prof. Torsten C. Schmidt, Universität Duisburg‐Essen. Vor Eintritt in die Tagesordnung gab der GDCh‐Schatzmeister und Chief Technology Officer von ALTANA, Dr. Georg F. L. Wießmeier, einen Überblick über das Unternehmen und seine Aktivitäten.
Extending the Spectrum of Radiological Findings in Patients With Severe Osteopetrosis and Different Genetic Backgrounds
Authors: Simanovsky Natalia , Rozovsky Katya , Hiller Nurith , Weintraub Michael , Stepensky Polina 
Published: March 2016

PurposeTo evaluate radiological findings in a cohort of 22 patients with infantile malignant osteopetrosis in order to establish the correlation between radiological findings and different genetic backgrounds.Materials and MethodsClinical files, genetic analysis results, and radiological examinations of children treated for osteopetrosis with bone marrow transplantation in a referral center in the last 5 years were retrospectively evaluated. The study received institutional review board (IRB) approval.ResultsTwenty‐two patients were included in the study: 18 males, four females, ages 1 month–9 years 10 months, and the median age was 11 months (mean 23 months). There were 12 patients with different mutations in the TCIRG1 gene, five with mutations in the SNX10 gene, four children harbored RANK mutations, and one patient had a CLCN7 mutation. We noted more severe radiological findings in patients with TCIRG1 and RANK mutations, including fractures, osteopetrorickets, hydrocephalus, and hepatomegaly. Varus deformity of the femoral neck was seen exclusively in patients with a TCIRG1 mutation.ConclusionsThe variable genetic spectrum of osteopetrosis is associated with a variable radiological presentation. These correlations may be helpful for priorities in genetic analysis.
Synthesis of medium‐bandgap π‐Conjugated polymers based on isomers of 5‐Alkylphenanthridin‐6(5H)‐one and 6‐Alkoxylphenanthridine
Authors: Huang Yunping , Xu Wenzhan , Zhou Cheng , Zhong Wenkai , Xie Ruihao , Gong Xiong , Ying Lei , Huang Fei , Cao Yong 
Published: March 2016

ABSTRACTTwo novel dibromo monomers consisting of the isomers of 5‐alkylphenanthridin‐6(5H)‐one (PN) and 6‐alkoxylphenanthridine (PO) were synthesized through alkylation of the precursor 3,8‐dibromophenanthrindi‐6(5H)‐one, where the molecular structures were confirmed by NMR spectroscopy. The medium bandgap conjugated polymers PDBTPN and PDBTPO were constructed by utilizing such two isomers PN and PO as the electron‐donating units and dithiophenebenzo[2,1,3]diathiazole as the electron‐accepting unit. The resulting polymers exhibited analogous absorption profiles with optical bandgap of 1.90 eV, while PDBTPO showed slightly higher absorption coefficiency. Cyclic voltammetry measurements revealed that these polymers had relatively deep highest occupied molecular orbital levels of about −5.70 eV. Polymer solar cells based on such two polymers showed relatively high open‐circuit voltage of about 0.90 V. All devices exhibited moderate performances with the best power conversion efficiency of 3.77% achieved based on PDBTPO. Devices based on PDBTPO showed slightly higher power conversion efficiency than those based on PDBTPN, which can be ascribed to higher hole mobility and more favorable film morphology of the former. © 2016 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2016, 54, 2119–2127
Improved exponential observer design for one‐sided Lipschitz nonlinear systems
Authors: Zhang Wei , Su Housheng , Zhu Fanglai , Bhattacharyya Shankar P. 
Published: March 2016

SummaryThis paper investigates the exponential observer design problem for one‐sided Lipschitz nonlinear systems. A unified framework for designing both full‐order and reduced‐order exponential state observers is proposed. The developed design approach requires neither scaling of the one‐sided Lipschitz constant nor the additional quadratically inner‐bounded condition. It is shown that the synthesis conditions established include some known existing results as special cases and can reduce the intrinsic conservatism. For design purposes, we also formulate the observer synthesis conditions in a tractable LMI form or a Riccati‐type inequality with equality constraints. Simulation results on a numerical example are given to illustrate the advantages and effectiveness of the proposed design scheme. Copyright © 2016 John Wiley & Sons, Ltd.
Quantitative threat situation assessment based on alert verification
Authors: Xi Rong‐rong , Yun Xiao‐chun , Hao Zhi‐yu , Zhang Yong‐zheng 
Published: March 2016

AbstractTraditional network threat situational assessment is based on raw alerts, not combined with contextual information, which influences the accuracy of assessment. In this paper, we propose a method to quantitatively assess network threat situation based on not only alerts but also contextual information. It firstly verifies alerts by matching alerts with contextual information to determine the successful probability of attacks, then analyzes the impact caused by attacks according to the severity and the corresponding asset value of them, and finally quantitatively assesses network threat situation based on the successful probability and the impact of attacks. Case studies show that the method can assess network threat situations more reasonably. Copyright © 2016 John Wiley & Sons, Ltd.
Air Stable N‐Heterocyclic Carbene‐Carbodiimide (“NHC‐CDI”) Adducts: Zwitterionic Type Bulky Amidinates
Authors: Baishya Ashim , Kumar Lokesh , Barman Milan Kr. , Peddarao Thota , Nembenna Sharanappa 
Published: March 2016

AbstractHerein we report a library of N‐heterocyclic carbene‐carbodiimide (“NHC‐CDI”) adducts i. e., zwitterionic type amidinates from the reaction between N,N’ ‐diaryl substituted symmetrical or unsymmetrical carbodiimide and N‐heterocyclic carbene at room temperature conditions. Generally, normal amidinates are air and moisture sensitive; that can be achieved by the treatment of amidines with base under air and moisture free conditions. In contrast, these new zwitterionic type bulky amidinate compounds are neutral and air stable. All new 31 examples of “NHC‐CDI” adducts were characterized by 1H, 13C{1H} and HRMS analyses. Further, six compounds were confirmed by single crystal X‐ray structural analysis.
Oxidation of thiols to sulphonic acids with Oxone®/NaHCO3 and KBrO3
Authors: Parida Keshaba Nanda , Chandra Ajeet , Moorthy Jarugu Narasimha 
Published: March 2016

AbstractThe reagent system Oxone®/NaHCO3 is shown to be very convenient for direct conversion of thiols to sulfonic acids. The simple procedure that involves stirring of thiol, Oxone®/NaHCO3 in CH3CN‐H2O (3:2, v/v) mixture at 20±5 °C allows access to a variety of aliphatic as well as electron rich and deficient aromatic sulfonic acids. The oxidation is also shown to occur with KBrO3, albeit over longer durations. The mechanism of thiol‐to‐sulfonic acid oxidation with Oxone® is proposed to proceed via electron transfer steps, which is supported by the formation of disufide at low conversions.
Synthesis and Photoluminescence Properties of a Red‐Emitting Phosphor Sr9Mg1.5(PO4)7:Eu3+
Authors: Sun Wenzhi , Jia Yonglei , Ma Tengfei , Li Da , Li Haifeng , Jiang Lihong , Zhang Su , Fu Jipeng , Pang Ran , Li Chengyu 
Published: March 2016

AbstractA novel red‐emitting Sr9Mg1.5(PO4)7:Eu3+ phosphor was synthesized via high‐temperature solid‐state reaction. The crystal structure was confirmed by Rietveld refinement method. The luminescence properties were investigated by diffuse reflection spectra, photoluminescence excitation spectra and emission spectra as well as temperature‐dependent luminescence spectra. The phosphor shows strong absorption at 395 nm and 466 nm, which matches well with the commercial n‐ultraviolet and blue chips. Upon excitation at 395 nm, the phosphor exhibits bright red emission with the dominate peak at about 617 nm, assigning to 5D0–7F2 transition of Eu3+. Meanwhile, the concentration quenching mechanism, fluorescence lifetime and thermal stability have been investigated in detail. The Commission International de I‘Eclairage (CIE) coordinates of Sr9Mg1.5(PO4)7:0.40Eu3+ are very close to those of National Television Standard Committee (NSTC) standard red light. The experimental data indicate Sr9Mg1.5(PO4)7:Eu3+ phosphor may be promising as a red‐emitting phosphor for white light emitting diodes.
Synthesis and OER activity of NiO coatings with micelle–templated mesopore structure
Authors: Bernicke Michael , Eckhardt Björn , Lippitz Andreas , Ortel Erik , Bernsmeier Denis , Schmack Roman , Kraehnert Ralph 
Published: March 2016

AbstractCatalysts based on nickel oxide are some of the most active catalysts for the oxygen evolution reaction (OER) in alkaline media. However, preparing catalytic coatings with high surface area and good accessibility of the active sites remains challenging. We present a new approach for the synthesis of homogeneous and binder‐free nickel oxide coatings comprising a highly accessible ordered mesopore structure. The synthesis is achieved via evaporation induced self assembly utilizing PEO‐PB‐PEO triblock copolymers as pore template and a chemical complex of Ni2+ and citric acid as precursor. Excessive crystallization behaviour of NiO is avoided by thermal conversion of the precursor into an amorphous Ni carbonate intermediate, followed by transition of the carbonate into the metal oxide. We present a comprehensive analysis of the obtained materials in terms of morphology, crystallinity, surface area, composition, and OER activity of differently calcined catalysts. Retaining a low crystallinity and high surface area during the synthesis proofs to be the most important factor in obtaining a highly active OER catalyst.
Ethics and social acceptability of a proposed clinical trial using maternal gene therapy to treat severe early‐onset fetal growth restriction
Authors: Sheppard M. , Spencer R. N. , Ashcroft R. , David A. L. ,   EVERREST Consortium
Published: March 2016

ABSTRACTObjectiveTo evaluate the ethical and social acceptability of a proposed clinical trial using maternal uterine artery vascular endothelial growth factor (VEGF) gene therapy to treat severe early‐onset fetal growth restriction (FGR) in pregnant women.MethodsWe conducted a literature review on the ethics and legality of experimental treatments in pregnant women, in particular advanced therapeutics. Issues that were identified from the literature helped develop interview guides for semistructured, qualitative interviews, carried out in four European countries, with 34 key stakeholders (disability groups, professional bodies and patient support groups) and 24 women/couples who had experienced a pregnancy affected by severe early‐onset FGR.ResultsThe literature review identified two main questions: ‘is it ethical to give a pregnant woman a potentially risky treatment from which she does not benefit directly?’ and ‘is it ethical to treat a condition of the unborn child, who may then be born with a serious disability when, without treatment, they would have died?’. The review concluded that there were no ethical or legal objections to the intervention, or to a trial of this intervention. Overall, respondents viewed the proposed trial in positive terms. Women were generally interested in participating in clinical trials that conferred a potential benefit to their unborn child. The risk of disability of the premature child was a concern, but not considered a major stumbling block for maternal VEGF gene therapy.ConclusionsThis study did not identify any fundamental or insurmountable objections to a trial of maternal gene therapy for severe early‐onset FGR. Copyright © 2016 ISUOG. Published by John Wiley & Sons Ltd.
Cardiac output assessment in pregnancy: comparison of two automated monitors with echocardiography
Authors: Vinayagam D. , Patey O. , Thilaganathan B. , Khalil A. 
Published: March 2016

ABSTRACTObjectiveTo compare non‐invasive hemodynamic measurements obtained in pregnant and postpartum women using two automated cardiac output monitors against those obtained by two‐dimensional (2D) transthoracic echocardiography (TTE).MethodsThis was a cross‐comparison study into which we recruited 114 healthy women, either with normal singleton pregnancy (across all three trimesters) or within 72 hours following delivery. Cardiac output estimations were obtained non‐invasively using two different monitors, Ultrasound Cardiac Output Monitor (USCOM®, which uses continuous‐wave Doppler analysis of transaortic blood flow) and Non‐Invasive Cardiac Output Monitor (NICOM®, which uses thoracic bioreactance), and 2D‐TTE. The performance of each monitor was assessed relative to that of TTE by calculating bias, precision, 95% limits of agreement and mean percentage difference (MPD). Intraobserver repeatability was assessed for both monitors and interobserver reproducibility was assessed for USCOM, NICOM being operator‐independent.ResultsFollowing exclusions due to poor‐quality results of a monitor or TTE, or for medical reasons, our analysis included 98 women (29 in the first trimester, 25 in the second and 21 in the third, and 23 postpartum). For cardiac output estimation, when compared with TTE, USCOM had a bias ranging from 0.4 to 0.9 L/min. The MPD of USCOM was 29% in the third‐trimester cohort. NICOM had a bias ranging from −1.0 to 0.6 L/min, with a MPD of 32% in the third‐trimester group. There was limited agreement between the cardiac output monitors and TTE in the first and second trimesters, with a MPD of 38% for USCOM in both first and second trimesters, and 71% and 61% for NICOM in first and second trimesters, respectively. For cardiac output estimation using USCOM, we found excellent intraobserver repeatability (intraclass correlation coefficient (ICC), 0.97; 95% CI, 0.95–0.98) and interobserver reproducibility (ICC, 0.90; 95% CI, 0.81–0.94), and the repeatability for NICOM was comparable (ICC, 0.95; 95% CI, 0.93–0.97).ConclusionsWe found good agreement of both USCOM and NICOM when compared with 2D‐TTE, specifically in the third trimester of pregnancy. Both devices had good intraobserver repeatability and either had good interobserver reproducibility or were operator‐independent. Future studies should take into account the significant differences in the precise maternal hemodynamic values obtained by these devices, and consider developing device‐specific reference ranges in pregnancy and the postpartum period. Copyright © 2016 ISUOG. Published by John Wiley & Sons Ltd.
Clara Haber, nee Immerwahr (1870–1915): Life, Work and Legacy
Authors: Friedrich Bretislav , Hoffmann Dieter 
Published: March 2016

AbstractWe examine the life, work, and legacy of Clara Haber, nee Immerwahr, who became the first woman to earn a doctorate from the University of Breslau, in 1900. In 1901 she married the chemist Fritz Haber. With no employment available for female scientists, Clara freelanced as an instructor in the continued education of women, mainly housewives, while struggling not to become a housewife herself. Her duties as a designated head of a posh household hardly brought fulfillment to her life. The outbreak of WWI further exacerbated the situation, as Fritz Haber applied himself in extraordinary ways to aid the German war effort. The night that he celebrated the “success” of the first chlorine cloud attack, Clara committed suicide. We found little evidence to support claims that Clara was an outspoken pacifist who took her life because of her disapproval of Fritz Haber's involvement in chemical warfare. We conclude by examining “the myth of Clara Immerwahr” that took root in the 1990s from the perspective offered by the available scholarly sources, including some untapped ones.
Intralesional Injection of Hyaluronic Acid in Patients Affected With Peyronie's Disease: Preliminary Results From a Prospective, Multicenter, Pilot Study
Authors: Zucchi Alessandro , Costantini Elisabetta , Cai Tommaso , Cavallini Giorgio , Liguori Giovanni , Favilla Vincenzo , De Grande Gaetano , D'Achille Giuseppe , Silvani Mauro , Franco Giorgio , Palmieri Alessandro , Verze Paolo , Mirone Vincenzo 
Published: March 2016

Abstract

Introduction
Hyaluronic acid has been shown to be efficacious in decreasing scar formation, inflammation, and oxidative stress.

Aim
To assess the efficacy of intralesional injection of hyaluronic acid in patients affected by Peyronie's disease.

Methods
In this prospective, single-arm, self-controlled, interventional, multicenter pilot study, 65 patients underwent a 10-week cycle of weekly intraplaque injections with hyaluronic acid (0.8% highly purified sodium salt hyaluronic acid 16 mg/2 mL; Sinovial, IBSA, Lodi, Italy). Patients were re-evaluated 2 months after the end of therapy.

Main Outcome Measures
Plaque size (millimeters), penile curvature (degrees), International Index of Erectile Function (IIEF-5) score, visual analog scale (VAS) score for sexual satisfaction, and Patient's Global Impressions of Improvement (PGI-I) score.

Results
Median age was 57 years (range = 23–70). At baseline, mean plaque size was 10 mm (range = 3–30 mm), mean penile curvature was 30° (range = 0°–50°), and mean IIEF-5 score was 20 (range = 0–25), with slight to moderate erectile dysfunction (IIEF score &lt; 21) in 36 of 65 patients (55%). A median VAS score of 6 (range = 2–10) was found. Mean follow-up was 12 months (range = 6–24 months). Statistically significant post-treatment improvements were detected for plaque size (before treatment = 10 mm [3–30 mm], after treatment = 8 mm [1–30 mm], P &lt; .0001), penile curvature (before treatment = 30° [0°–50°], after treatment = 20° [0°–40°], P &lt; .0001), IIEF-5 score (before treatment = 20 [11–25], after treatment = 21 [15–25], P &lt; .0001), and VAS score (before treatment = 6 [2–10], after treatment 8 [2–10], P &lt; .0001). After treatment, the rate of patients with an IIEF score lower than 21 decreased from 55% (36 patients) to 40% (25 patients). Overall improvement on the PGI-I questionnaire was 69%.

Conclusion
Intralesional treatment with hyaluronic acid can improve plaque size, penile curvature, and overall sexual satisfaction and seems preferably indicated in the early (active) phase of the disease. Furthermore, it is easy to perform and well tolerated.