bluuebunny/crossref_metadata_2025_split huggingface dataset:
Katalytische reduktive N‐Alkylierungen unter Verwendung von CO2 und Carbonsäurederivaten: Aktuelle Entwicklungen
Authors: Cabrero‐Antonino Jose R. , Adam Rosa , Beller Matthias 
Published: October 2018

AbstractN‐Alkylamine sind Schlüsselintermediate in der Synthese von Feinchemikalien, Farb‐ und Naturstoffen und deshalb wertvolle Bausteine in der organischen Chemie. Entsprechend ist die Entwicklung nachhaltiger und effizienter Protokolle für die Synthese von N‐Alkylaminen von großem Interesse in der Industrie und Forschung. Bislang wird die Aminsynthese überwiegend über reduktive Protokolle bewerkstelligt, z. B. durch reduktive Aminierung oder durch N‐Alkylierung durch Wasserstoff‐Autotransfer unter Verwendung von Carbonylverbindungen oder Alkoholen als Alkylierungsreagenzien. In den letzten Jahren wurden zudem Carbon‐/Kohlensäurederivate und CO2 als alternative Alkylierungsmittel eingeführt. Die sichere Verwendung, der einfache Zugang und die gute Stabilität dieser Reagenzien treibt die Entwicklung neuer reduktiver Umwandlungen als nützliche Alternativen zu bestehenden Protokollen voran. In diesem Aufsatz fassen wir die literaturbekannten Beispiele von Eintopfmethoden zur reduktiven Alkylierung unter Verwendung von Carbon‐/Kohlensäurederivaten oder CO2 als Alkylierungsreagenzien zusammen.
Peptide Ligations by Using Aryloxycarbonyl‐o‐methylaminoanilides: Chemical Synthesis of Palmitoylated Sonic Hedgehog
Authors: Palà‐Pujadas Judith , Albericio Fernando , Blanco‐Canosa Juan B. 
Published: October 2018

AbstractA simple procedure for C‐terminal activation of peptides in solution and its application in native chemical ligation and protein synthesis is described. This method involves a mild thioesterification based on the conversion of an aryloxy‐o‐methylaminoanilide to thioester under aqueous conditions and in situ ligation with an N‐terminal cysteine peptide. The versatility is shown in pH‐controlled sequential ligations. To illustrate the usefulness of this methodology, we synthesized the palmitoylated N‐terminal domain of human Sonic Hedgehog, a morphogen protein that binds the transmembrane receptor Patched and activates the Hedgehog signaling pathway, involved in embryonic development and in the proliferation of multiple tumors. This approach extends the chemical toolset of chemical protein synthesis based on o‐aminoanilide and o‐methylaminoanilide peptides.
Hydrogen Evolution from Aqueous Solutions Mediated by a Heterogenized [NiFe]‐Hydrogenase Model: Low pH Enables Catalysis through an Enzyme‐Relevant Mechanism
Authors: Ahmed Md Estak , Chattopadhyay Samir , Wang Lianke , Brazzolotto Deborah , Pramanik Debajyoti , Aldakov Dmitry , Fize Jennifer , Morozan Adina , Gennari Marcello , Duboc Carole , Dey Abhishek , Artero Vincent 
Published: October 2018

Abstract[NiFe]‐hydrogenase enzymes are efficient catalysts for H2 evolution but their synthetic models have not been reported to be active under aqueous conditions so far. Here we show that a close model of the [NiFe]‐hydrogenase active site can work as a very active and stable heterogeneous H2 evolution catalyst under mildly acidic aqueous conditions. Entry in catalysis is a NiIFeII complex, with electronic structure analogous to the Ni‐L state of the enzyme, corroborating the mechanism modification recently proposed for [NiFe]‐hydrogenases.
Combining Ultrasound and Microwave to Improve the Yield and Quality of Single‐Cell Oil from Mortierella isabellina NTG1−121
Authors: Zhou Cuixia , Sun Dengyue , Sun Xin , Zhu Chuanhe , Wang Qun 
Published: October 2018

AbstractIn this article, to increase the extraction efficiency and quality of single‐cell oil (SCO) from Mortierella isabellina NTG1–121 (MIN) in the SCO extraction, ultrasound in combination with microwave was applied. The best extraction conditions (microwave power 400 W; microwave time 3.7 min; ultrasonic time 40.5 min; ultrasonic power 500 W; and the material to solvent ratio 1:12.3 [w/v]) were achieved at room temperature of 25 ±5 °C, using response surface methodology (RSM). Under these conditions, the extraction yield of SCO was up to 92.24% and the SCO yield was 178.13 ±0.17 mg g−1 (wet cell). Compared with ultrasound‐assisted extraction (UAE) and acid‐heating extraction (AHE), the quality and yield of SCO obtained using the ultrasonic‐assisted/microwave‐assisted extraction (UMAE) were improved. The present study suggests that UMAE can be an alternative for the extraction of SCO from MIN. The oil is rich in oleic acid (ca. 43.98%), linoleic acid (ca. 11.56%), and gamma linolenic acid (ca. 11.38%), which is comparable to the fatty‐acid composition of several edible oils.
Analyse der Einsparpotenziale durch Smarthome‐ und intelligente Heizungsregelungen
Authors: Kersken Matthias , Sinnesbichler Herbert , Erhorn Hans 
Published: October 2018

AbstractIntelligente Heizungsregler und Smarthome‐Systeme können den Heizenergieverbrauch bzw. die Heizkosten, unter anderem durch eine Anpassung der Gebäudebeheizung an die An‐ bzw. Abwesenheit der Nutzer, reduzieren. Zu diesem Zweck werden die Ergebnisse von fünf unterschiedlichen Studien zusammengefasst, die am Fraunhofer‐Institut für Bauphysik IBP unter Verwendung von dynamischer Gebäudesimulation durchgeführt wurden. Diese Studien vergleichen die intelligenten Systeme mit einer konventionellen Regelung die der EnEV Referenztechnik entspricht. Die Auswertung des kombinierten Datensatzes erlaubt die Untersuchung der Einsparpotenziale getrennt für unterschiedliche Baualter, Gebäudetypen und Haushaltsgrößen. Die untersuchten Systeme zeigen typische mittlere Einsparpotenziale zwischen 8 und 19 % Endenergie für Heizung und Trinkwarmwasser bzw. Energiekosteneinsparpotentiale zwischen 0,3 und 2,6 €/(m 2a). Parallel werden die durch die Systeme bewirkten Veränderungen im thermischen Raumkomfort bewertet und den Einsparpotentialen gegenübergestellt. Hier zeigen sich große Unterschiede zwischen den untersuchten Varianten. Einerseits gibt es Fälle die fast keine energetischen Potentiale aufweisen aber den thermischen Komfort reduzieren, anderseits geht in manchen Varianten eine Komfort‐Verbesserung mit einer potentiellen Bedarfsreduktion einher.
Bauphysik urbaner Oberflächen
Authors: Leistner Philip , Kaufmann Andreas , Koehler Mark , Würth Michael , Hofbauer Wolfgang Karl , Dittrich Sebastian , Maier Stephanie , Gordt Antonia , Jäger Michael 
Published: October 2018

AbstractBaulich‐räumliche Gestalt und urbane Flächennutzung gehören zu den wesentlichen transformativen Handlungsfeldern der Städte. Lebens‐ und Umweltqualität, Identität und Eigenart sowie die Teilhabe in der kommunalen Gesellschaft werden durch urbane Oberflächen maßgeblich beeinflusst. Die meisten urbanen Oberflächen sind bislang auf die dauerhafte Erfüllung einzelner Zwecke ausgerichtet, bieten aber einen größeren Gestaltungsspielraum bezüglich Funktionalität und Adaptivität, Qualität und Effizienz. Es ist deshalb sinnvoll, das bauphysikalische Wirkpotenzial urbaner Oberflächen ganzheitlich zu erschließen, zu bewerten, technologisch zu erweitern und praxistauglich zu erproben. Angesichts wachsender Belastungen urbaner Strukturen durch klimatisch bedingte Einflüsse, wie Überflutung, extreme Wetterlagen oder Hitzeinseln, werden neue Möglichkeiten, Verfahren, Systeme oder Materialien zur Verbesserung der Resilienz notwendig. Im Beitrag werden exemplarische Entwicklungen vorgestellt, die sich ergänzen und zusammenfügen lassen. Hydroaktive Oberflächen puffern Regenwasser und geben es zeitverzögert ab, um Hitze und Überflutung gleichermaßen zu reduzieren. Begrünte Fassaden verbessern Stadtklima und Luftqualität. Schallabsorbierende Fassaden verringern innerstädtischen Lärm. Die optimierte Reinigung von Verkehrs‐ und Freiflächen reduziert den Instandhaltungsaufwand. Die Betrachtung von Bewirtschaftungsprozessen mittels Ökobilanz zeigt Optimierungspotenziale kommunaler Stoffströme auf.
Untersuchung der luftreinigenden Wirkung einer temperierten Wasserwand in Innenräumen hinsichtlich Feinstaub PM 10
Authors: Grimme Mirjam , Gramm Rafael , Mitterer Christoph , Künzel Hartwig 
Published: October 2018

AbstractZum Zwecke der Raumluftkonditionierung wurde am Fraunhofer‐Institut für Bauphysik IBP ein vertikales Flächenelement entwickelt, über das temperiertes Wasser fließt. Da es sich bei diesem Element um eine Art Zimmerbrunnen handelt, der die Raumluft sowohl kühlt als auch be‐ oder entfeuchtet, wird diese Anlage auch als Klimabrunnen bezeichnet. Aufgrund von Beobachtungen besteht die Vermutung, dass dieser Klimabrunnen auch in der Lage ist, die umgebende Luft von Fremdpartikeln zu reinigen. Am Beispiel von Feinstaub der Größe PM10 wurde daher mithilfe eines Grimm‐Messgerätes untersucht, wie sich eine einmalig eingebrachte Feinstaubmenge vor dem Klimabrunnen verhält und welchen Einfluss die Wassertemperatur auf den zeitlichen Verlauf der Schadstoffkonzentration hat. Die Auswertung der Messergebnisse zeigt einen beachtlichen Zusammenhang zwischen Wassertemperatur und Abnahmegeschwindigkeit der Feinstaubmenge in der Luft. Ein auf 7 °C gekühlter Klimabrunnen schafft es, die PM10‐Konzentration ausgehend von 200 µg/m3 rund 21 Minuten schneller unter den gesetzlichen Grenzwert von 50 µg/m3 zu senken als ein ungekühlter Klimabrunnen. Die Reduktion auf unter ein Prozent der Startmenge geschieht sogar über eine Stunde schneller. Dabei spielt nachweislich die Luftzirkulation eine bedeutende Rolle, die aufgrund von Konvektion infolge der Temperaturunterschiede an der Grenzschicht zwischen Wasser und Raumluft entsteht. Hier zeigt sich ein klarer Vorteil des Klimabrunnens gegenüber ungekühlten Wasserwänden.
Covariate selection strategies for causal inference: Classification and comparison
Authors: Witte Janine , Didelez Vanessa 
Published: October 2018

AbstractWhen causal effects are to be estimated from observational data, we have to adjust for confounding. A central aim of covariate selection for causal inference is therefore to determine a set that is sufficient for confounding adjustment, but other aims such as efficiency or robustness can be important as well. In this paper, we review six general approaches to covariate selection that differ in the targeted type of adjustment set. We discuss and illustrate their advantages and disadvantages using causal diagrams. Moreover, the approaches and different ways of implementing them are compared empirically in an extensive simulation study. We conclude that there are considerable differences between the approaches but none of them is uniformly best, with performance depending on the chosen adjustment method as well as the true confounding structure. Any prior structural knowledge on the causal relations is helpful to choose the most appropriate method.
Development and validation of a nomogram to predict recurrence and melanoma-specific mortality in patients with negative sentinel lymph nodes
Authors: Verver D , van Klaveren D , Franke V , van Akkooi A C J , Rutkowski P , Keilholz U , Eggermont A M M , Nijsten T , Grünhagen D J , Verhoef C 
Published: October 2018

Abstract

Background
Patients with melanoma and negative sentinel nodes (SNs) have varying outcomes, dependent on several prognostic factors. Considering all these factors in a prediction model might aid in identifying patients who could benefit from a personalized treatment strategy. The objective was to construct and validate a nomogram for recurrence and melanoma-specific mortality (MSM) in patients with melanoma and negative SNs.

Methods
A total of 3220 patients with negative SNs were identified from a cohort of 4124 patients from four EORTC Melanoma Group centres who underwent sentinel lymph node biopsy. Prognostic factors for recurrence and MSM were studied with Cox regression analysis. Significant factors were incorporated in the models. Performance was assessed by discrimination (c-index) and calibration in cross-validation across the four centres. A nomogram was developed for graphical presentation.

Results
There were 3180 eligible patients. The final prediction model for recurrence and the calibrated model for MSM included three independent prognostic factors: ulceration, anatomical location and Breslow thickness. The c-index was 0·74 for recurrence and 0·76 for the calibrated MSM model. Cross-validation across the four centres showed reasonable model performance. A nomogram was developed based on these models. One-third of the patients had a 5-year recurrence probability of 8·2 per cent or less, and one-third had a recurrence probability of 23·0 per cent or more.

Conclusion
A nomogram for predicting recurrence and MSM in patients with melanoma and negative SNs was constructed and validated. It could provide personalized estimates useful for tailoring surveillance strategies (reduce or increase intensity), and selection of patients for adjuvant therapy or clinical trials.
Quantitative proteomic analysis of intracerebral hemorrhage in rats with a focus on brain energy metabolism
Authors: Liu Tao , Zhou Jing , Cui Hanjin , Li Pengfei , Li Haigang , Wang Yang , Tang Tao 
Published: October 2018

AbstractIntroductionIntracerebral hemorrhage (ICH) is a lethal cerebrovascular disorder with a high mortality and morbidity. The pathophysiological mechanisms underlying ICH‐induced secondary injury remain unclear.MethodsTo examine one of the gaps in the knowledge about ICH pathological mechanisms, isobaric tag for relative and absolute quantification (iTRAQ)‐based liquid chromatography‐tandem mass spectrometry (LC‐MS/MS) was used in collagenase‐induced ICH rats on the 2nd day.ResultsA total of 6,456 proteins were identified with a 1% false discovery rate (FDR). Of these proteins, 126 and 75 differentially expressed proteins (DEPs) were substantially increased and decreased, respectively. Based on Gene Ontology (GO), Kyoto Encyclopedia of Genes and Genomes (KEGG), and STRING analyses, the protein changes in cerebral hemorrhage were comprehensively evaluated, and the energy metabolism in ICH was anchored. The core position of the nitrogen metabolism pathway in brain metabolism in ICH was found for the first time. Carbonic anhydrase 1 (Ca1), carbonic anhydrase 2 (Ca2), and glutamine synthetase (Glul) participated in this pathway. We constructed the protein–protein interaction (PPI) networks for the energy metabolism of ICH, including the Atp6v1a‐Atp6v0c‐Atp6v0d1‐Ppa2‐Atp6ap2 network.ConclusionsIt seems that dysregulation of energy metabolism, especially nitrogen metabolism, may be a major cause in secondary ICH injury. This information provides novel insights into secondary events following ICH.
16p11.2 deletion in patients with paroxysmal kinesigenic dyskinesia but without intellectual disability
Authors: Li Wen , Wang Yifan , Li Bin , Tang Bin , Sun Hui , Lai Jinxing , He Na , Li Bingmei , Meng Heng , Liao Weiping , Liu Xiaorong 
Published: October 2018

AbstractIntroductionMutations of the PRRT2 gene are the most common cause for paroxysmal kinesigenic dyskinesia. However, patients with negative PRRT2 mutations are not rare. The aim of this study is to determine whether copy number variant of PRRT2 gene is another potential pathogenic mechanism in the patients with paroxysmal kinesigenic dyskinesia with negative PRRT2 point and frameshift mutations.MethodsWe screened PRRT2 copy number variants using the AccuCopy™ method in 29 patients with paroxysmal kinesigenic dyskinesia with negative PRRT2 point and frameshift mutations. Next‐generation sequencing was used to determine the chromosomal deletion sites in patients with PRRT2 copy number variants, and to exclude mutations in other known causative genes for paroxysmal kinesigenic dyskinesia.ResultsTwo sporadic patients with negative PRRT2 point and frameshift mutations (6.9%) were identified to have de novo PRRT2 copy number deletions (591 and 832 Kb deletions located in 16p11.2). The two patients presented with pure paroxysmal kinesigenic dyskinesia and paroxysmal kinesigenic dyskinesia and benign infantile convulsions, respectively. They had normal intelligence and neuropsychiatric development, in contrast to those previously reported with 16p11.2 deletions complicated with neuropsychiatric disorders. No correlation between the deletion ranges and phenotypic variations was found.Conclusion16p11.2 deletions play causative roles in paroxysmal kinesigenic dyskinesia, especially for sporadic cases. Our findings extend the phenotype of 16p11.2 deletions to pure paroxysmal kinesigenic dyskinesia. Screening for 16p11.2 deletions should thus be included in genetic evaluations for patients with paroxysmal kinesigenic dyskinesia.
National Cancer Database Comparison of Radical Cystectomy vs Chemoradiotherapy for Muscle‐Invasive Bladder Cancer: Implications of Using Clinical vs Pathologic Staging
Authors: Lin Hong‐Yiou , Ye Hong , Kernen Kenneth M. , Hafron Jason M. , Krauss Daniel J. 
Published: October 2018

AbstractPurposeTo test the hypothesis that bladder preservation therapy consisting of definitive chemoradiotherapy (chemoRT) results in similar overall survival rates to radical cystectomy/chemotherapy when balancing baseline patient characteristics and initial (preoperative) clinical stage.Materials/methodsA total of 7,322 patients with stage II‐IV, M0 bladder cancer who were treated with cystectomy/chemo (N = 5,664) or definitive chemoRT (N = 1,658) were identified from the National Cancer Database. Baseline patient characteristics were compared using Pearson's chi‐square, Fisher's exact test, and Wilcoxon's rank sum tests. Cox regressions were used to investigate for variables significantly correlated with overall survival (OS). OS was compared between cystectomy/chemo vs chemoRT before and after propensity score matched pair analyses using Kaplan‐Meier curves and log‐rank tests.ResultsPatients who underwent cystectomy/chemo were significantly younger than ones treated with definitive chemoRT (mean age 63.7 vs 75.2; P < 0.001). Age, race, Charlson/Deyo Comorbidity Score (CDCS), clinical stage, insurance status, and type of facility significantly correlated with OS (P < 0.05 for all covariates). Patients treated with cystectomy/chemo were younger, healthier with better CDCS, and more likely treated at academic facilities. Before matched pair analyses, OS was significantly better when treated with cystectomy/chemo (3 year 56.4%; 5 year 45.9%) compared to chemoRT (3 year 47.3%; 5 year 33.2%) (P < 0.001); 28.6% of patients undergoing cystectomy were upstaged at the time of surgery. After matched pair analyses matching age, race, sex, CDCS, clinical (presurgical) stage, insurance, and facility type (N = 1,750), OS was no longer significantly different between cystectomy/chemo (3 year 52.1% and 5 year 41.0%) vs chemoRT (3 year 53.3% and 5 year 40.1%) (P = 0.5).ConclusionsPatients treated with cystectomy/chemo were significantly younger and healthier compared to those treated with chemoRT. Once these factors were accounted for in propensity score matched pair analyses using clinical stage, overall survival was not significantly different between cystectomy/chemo and an organ‐sparing approach with definitive chemoRT.
Role of serum EBV‐VCA IgG detection in assessing gastric cancer risk and prognosis in Northern Chinese population
Authors: Wang Zeyang , Lv Zhi , Ding Hanxi , Xu Qian , Sun Liping , Jing Jingjing , Yuan Yuan 
Published: October 2018

AbstractThe study aimed to investigate the role of serum EBV‐VCA IgG in assessing gastric cancer (GC) risk and prognosis. A total of 1790 Northern Chinese participants with pathologically confirmed disease underwent EBV‐VCA IgG serologic testing using enzyme‐linked immunosorbent assay (ELISA), including 821 controls, 410 atrophic gastritis (AG) patients, and 559 GC patients. We found that positive EBV‐VCA IgG was significantly associated with GC and its precursor, conferring a 1.55‐ and 1.36‐fold increased risk of GC and AG, respectively (P = 0.001, 95% CI = 1.21‐1.99; P = 0.011, 95% CI = 1.07‐1.72, respectively). The risk effects were more remarkable in younger, female, and Helicobacter pylori‐negative individuals than in older, male, and H. pylori‐positive individuals. EBV‐VCA IgG‐positive subjects had a lower PGI/II ratio than EBV‐VCA IgG‐negative subjects (median 8.0 vs 8.8, P = 0.001), especially those in the H. pylori‐positive (median 6.1 vs 6.8, P = 0.027) and GC subgroups (median 6.4 vs 7.9, P = 0.020). In the intestinal GC subgroup, the survival of EBV‐VCA IgG‐positive patients was worse than that of EBV‐VCA IgG‐negative patients (P = 0.041, HR = 2.45, 95% CI = 1.04‐5.78). Our study suggests that EBV‐VCA IgG seropositivity has potential in predicting the risk of GC and its precursor as well as the prognosis of histologically classified GC.
ZnS Nanotubes/Carbon Cloth as a Reversible and High‐Capacity Anode Material for Lithium‐Ion Batteries
Authors: Huang Lanyan , Zhang Yongguang , Shang Chaoqun , Wang Xin , Zhou Guofu , Ou Jian Zhen , Wang Yichao 
Published: October 2018

AbstractMetal sulfides have been considered as one of the most promising class of anode materials for lithium‐ion batteries. However, large volume change and low intrinsic electrical conductivity significantly restrict the performance. Herein, flexible electrode materials comprising ZnS nanotubes/carbon cloth are prepared by combined solvothermal and ion‐exchange sulfidation technique. The ZnS nanotube array/carbon cloth electrode is assessed for application in lithium‐ion batteries and remarkable improvement towards reversible capacity was observed. A notable capacity of 1053 mAh g−1 at 0.2 C and a maintained reversible capacity of 608 mAh g−1 after 100 cycles are observed, which are both comparable to similar materials in previously published reports. The ZnS nanotubes with small dimension and uniform dispersion grown directly on carbon cloth can effectively shorten the path of the lithium‐ions, facilitating the charge transfer of the electrode. The carbon cloth and the three‐dimensional (3D) structured carbon fiber exhibit a large surface area and can thus efficiently reduce the volume change during the discharge/charge cycles.
A study on liquid‐liquid dispersions in a continuous mixer via computational fluid dynamics (CFD) simulation combined with population balance model (PBM)
Authors: Tang Qiao , Ye Sishi , Wang Yundong , Liu Zuohua 
Published: October 2018

AbstractLiquid‐liquid two‐phase flow in a mixer of mixer‐settler has been studied via a computational fluid dynamics (CFD) simulation combined with the population balance model (PBM) and verified with particle image velocimetry (PIV) experiments. The simulation was performed using the multiple reference frame (MRF) approach, the Eulerian‐Eulerian two‐fluid model, and the standard k‐ϵ model. The effects of impeller speed, flow ratio, and impeller type on flow field, droplet diameter, and dispersed phase holdup were investigated. The results showed that CFD simulation combined with PBM could predict droplet size distribution (DSD). The smaller droplets were mainly in the bottom region of the mixer, larger ones were in the top part of the mixer, and the largest droplets appeared in the impeller centre region. The DSD and holdup were more sensitive to impeller speed than to the organic/aqueous flow ratio. A dual‐impeller mixer configuration was designed to enhance the mixing performance. Compared with single‐impeller, the installation of dual‐impellers could effectively avoid the dispersed phase dead zone above the lower impeller. When hc /T = 0.3, the best dispersing effect, such as uniform DSD and high mixing chamber space utilization, could be obtained.