bluuebunny/crossref_metadata_2025 huggingface dataset:
On the Role of Transition Metal Salts During Electrochemical Exfoliation of Graphite: Antioxidants or Metal Oxide Decorators for Energy Storage Applications
Authors: Ejigu Andinet , Fujisawa Kazunori , Spencer Ben F. , Wang Bin , Terrones Mauricio , Kinloch Ian A. , Dryfe Robert A. W.
Published: October 2018

A new approach is presented, based on the unexpectedly versatile role of transition metal ions, to produce high‐quality graphene via an anodic electrochemical exfoliation route, and the capability of the resultant material in energy storage applications are illustrated. The method is based on graphene exfoliation in the presence of transition metals (Co2+ and Fe3+) which act as antioxidants, preventing surface oxidation of graphene, while other metals (Ru3+, Mn2+, Ir3+, and Sn4+) act as metal oxide decorators. The addition of Co2+ ions to the exfoliation solution produced few‐layer graphene that is two orders of magnitude more conducting and contains 80% less oxygen than the material obtained in the absence of cobalt ion. By contrast, the use of Mn2+ and Ru3+ in the electrolyte form an interconnected honeycomb lamellar structure of MnO2 and RuO2 nanoparticles, respectively. The combination of Mn2+ and Ru3+ create a uniformly grown Ru–Mn oxide hybrid structure on the graphene sheets in a single stage process, which is found to be an efficient electrode for supercapacitors (specific capacitance of 500 F g−1) and as a bifunctional water splitting electrocatalyst. The use of these inexpensive salts will aid the scalable production of high‐quality graphene and functionalized graphene for diverse applications.
Antisolvent with an Ultrawide Processing Window for the One‐Step Fabrication of Efficient and Large‐Area Perovskite Solar Cells
Authors: Zhao Pengjun , Kim Byeong Jo , Ren Xiaodong , Lee Dong Geon , Bang Gi Joo , Jeon Jae Bum , Kim Won Bin , Jung Hyun Suk
Published: October 2018

Photovoltaic technologies based on perovskite absorber materials have led this optoelectronic field into a brand‐new horizon. However, the present antisolvents used in the one‐step spin‐coating method always encounter problems with the very narrow process window. Herein, anisole is introduced into the one‐step spin‐coating method, and the technology is developed to fabricate perovskite thin films with ultrawide processing window with a dimethylformamide (DMF):dimethyl sulfoxide (DMSO) ratio varying from 6:4 to 9:1 in the precursor solution, anisole dripping time ranging from 5 to 25 s, and an antisolvent volume varying from 0.1 to 0.9 mL. Perovskite thin films as large as 100 cm2 are successfully fabricated using this method. Maximum photoelectric conversion efficiencies of 19.76% for small‐area (0.14 cm2) and 17.39% for large‐area (1.08 cm2) perovskite solar cell devices are obtained. It is also found that there are intermolecular hydrogen‐bonding forces between anisole and DMF/DMSO that play critical roles in the wide process window. These results provide a deeper understanding of the crystallizing procedure of perovskite during the one‐step spin‐coating process.
Infrared‐Sensitive Memory Based on Direct‐Grown MoS2–Upconversion‐Nanoparticle Heterostructure
Authors: Zhai Yongbiao , Yang Xueqing , Wang Feng , Li Zongxiao , Ding Guanglong , Qiu Zhifan , Wang Yan , Zhou Ye , Han Su‐Ting
Published: October 2018

Photonic memories as an emerging optoelectronic technology have attracted tremendous attention in the past few years due to their great potential to overcome the von Neumann bottleneck and to improve the performance of serial computers. Nowadays, the decryption technology for visible light is mature in photonic memories. Nevertheless, near‐infrared (NIR) photonic memristors are less progressed. Herein, an NIR photonic memristor based on MoS2–NaYF4:Yb3+, Er3+ upconversion nanoparticles (UCNPs) nanocomposites is designed. Under excitation by 980 nm NIR light, the UCNPs show emissions well overlapping with the absorption band of the MoS2 nanosheets. The heterostructure between the MoS2 and the UCNPs acting as excitons generation/separation centers remarkably improves the NIR‐light‐controlled memristor performance. Furthermore, in situ conductive atomic force microscopy is employed to elucidate the photo‐modulated memristor mechanism. This work provides novel opportunities for NIR photonic memory that holds promise in future multifunctional robotics and electronic eyes.
Tracking Molecular Diffusion in One‐Dimensional Photonic Crystals
Authors: Szendrei‐Temesi Katalin , Jiménez‐Solano Alberto , Lotsch Bettina V.
Published: October 2018

The intuitive use, inexpensive fabrication, and easy readout of colorimetric sensors, including photonic crystal architectures and Fabry–Pérot interference sensors, have made these devices a successful commercial case, and yet, understanding how the diffusion of analytes occurs throughout the structure is a key ingredient for designing the response of these platforms on demand. Herein, the diffusion of amines in a periodic multilayer system composed of two‐dimensional nanosheets and dielectric nanoparticles is tracked by a combination of spectroscopic measurements and theoretical modelling. It is demonstrated that diffusion is controlled by the molecular size, with larger molecules showing larger layer swelling and slower diffusion times, which translates into important sensor characteristics such as signal change and saturation time. Since the approach visualizes the analyte impregnation process in a time‐ and spatially resolved fashion, it directly relates the macroscopic color readout into microscopic processes occurring at the molecular level, thus opening the door to rational sensor design.
Interface Exciplex Anchoring the Color Stability of Solution‐Processed Thermally Activated Delayed Fluorescent White Organic Light‐Emitting Diodes
Authors: Liu Yanwei , Wei Xiaofang , Li Zhiyi , Liu Jianjun , Wang Ruifang , Hu Xiaoxiao , Wang Pengfei , Qi Ting , Wang Ying
Published: October 2018

Spectral stability and high color rendering index (CRI) remain challenges to high‐performance, solution‐processed white organic light‐emitting devices (WOLEDs) based on two complementary colors. The solution‐processed WOLED based on two thermally activated delayed fluorescence emitters with complementary color, i.e., the orange–red 2‐[4‐(diphenylamino) phenyl]‐10,10‐dioxide‐9H‐thioxanthen‐9‐one emitter and the blue 4,4′‐bis(carbazol‐9‐yl)‐2,2′‐dimethylbiphenyl:4,6‐bis(3,5‐di(pyridin‐4‐yl)phenyl)‐2‐phenylpyrimidine interface exciplex, is reported here. Poly[(9,9‐dioctylfluorenyl‐2,7‐diyl)‐co‐(4,4′‐(N‐(4‐sec‐butylphenyl)) diphenylamine)] is doped with 30 wt% cross‐linkable N,N′‐(4,4′‐(cyclohexane‐1,1‐diyl)bis(4,1‐phenylene))bis(N‐(4‐(6‐(2‐ethyloxetan‐2‐yloxy)hexyl)phenyl)‐3,4,5‐trifluoroaniline) to form a smooth hole transportation layer with outstanding solvent resistance ability and efficient hole transporting/injection ability. The position of interface exciplex and exciton management in the emitting layer can be tuned, thus anchoring the color stability. The device displays a maximum external quantum efficiency of 10.02% and a high CRI of 85 with Commission Internationale de l'Eclairage (CIE) color coordinates of (0.32, 0.33) at the luminescence of 1000 cd m−2. These results are among the best of solution‐processed WOLEDs based on two complementary chromophores.
Enhancing Reproducibility and Nonlocal Effects in Film‐Coupled Nanoantennas
Authors: Reynaud Clément A. , Duché David , Le Rouzo Judikaël , Nasser Antoine , Nony Laurent , Pourcin Florent , Margeat Olivier , Ackermann Jörg , Berginc Gerard , Nijhuis Christian A. , Escoubas Ludovic , Simon Jean‐Jacques
Published: October 2018

Nanopatch antennas based on the assembly of nanocubes are an appealing way to easily produce structures that feature very thin gaps between metals at a very low cost compared with other surface modification techniques. If these coatings are very good absorbers in the visible and near‐infrared range, they can also be of interest for reaching light confinement regimes where nonlocality arises strongly, or for designing molecular electronics junctions embedded in resonating cavities. Here both modeling and experimental realization of a nanocube assembly approach based on alkyldithiols molecules is proposed that enables a high reproducibility on the resonance position of the cavities, as well as gaps that are thinner than the usual 3 nm limit often reported in the literature, thus opening the way to experimental confirmation of nonlocal effects as well as new perspectives for molecular electronics.
Ultrafast Dynamics of Charge Transfer and Photochemical Reactions in Solar Energy Conversion
Authors: Xu Jing‐Yin , Tong Xin , Yu Peng , Wenya Gideon Evans , McGrath Thomas , Fong Matthew James , Wu Jiang , Wang Zhiming M.
Published: October 2018

For decades, ultrafast time‐resolved spectroscopy has found its way into an increasing number of applications. It has become a vital technique to investigate energy conversion processes and charge transfer dynamics in optoelectronic systems such as solar cells and solar‐driven photocatalytic applications. The understanding of charge transfer and photochemical reactions can help optimize and improve the performance of relevant devices with solar energy conversion processes. Here, the fundamental principles of photochemical and photophysical processes in photoinduced reactions, in which the fundamental charge carrier dynamic processes include interfacial electron transfer, singlet excitons, triplet excitons, excitons fission, and recombination, are reviewed. Transient absorption (TA) spectroscopy techniques provide a good understanding of the energy/electron transfer processes. These processes, including excited state generation and interfacial energy/electron transfer, are dominate constituents of solar energy conversion applications, for example, dye‐sensitized solar cells and photocatalysis. An outlook for intrinsic electron/energy transfer dynamics via TA spectroscopic characterization is provided, establishing a foundation for the rational design of solar energy conversion devices.
Renal manifestation of tuberous sclerosis complex
Authors: Bissler John J. , Christopher Kingswood J.
Published: October 2018

Tuberous sclerosis complex (TSC) is a tumor predisposition syndrome with significant renal cystic and solid tumor disease. It commonly causes several types of cystic disease and benign tumors (angiomyolipomata) in the kidneys that can both lead to significant premature loss of glomerular filtration rate. The main risks of angiomyolipomata, severe bleeding, loss of renal function, and pulmonary lymphangioleiomyomatosis, can be ameliorated by active surveillance and preemptive therapy with mTOR inhibitors. The cystogenic mechanism may involve primary cilia, but also appears to also involve a majority of normal tubular cells and may be driven by a minority of cells with mutations inactivating both their TSC1 or TSC2 genes. Malignant tumors are rare.
Synthesis and Applications of 5‐Membered Chalcogen‐Nitrogen π‐Heterocycles with Three Heteroatoms
Authors: Rakitin Oleg A. , Zibarev Andrey V.
Published: October 2018

The recent progress in the synthesis of the title heterocycles exemplified by closed‐ and open‐shell 1,2,5‐chalcogenadiazoles, 1,2,3‐dichalcogenazoles and their hybrids (chalcogens: S, Se, and Te), and in actual or potential applications of these compounds in materials science and biomedicine, is discussed. The synthetic importance of the chalcogen exchange, both direct and indirect, is emphasized, as well as the significance of the heavier chalcogen derivatives in the design and synthesis of smart molecular materials.
Amide Effects in C−H Activation: Noncovalent Interactions with L‐Shaped Ligand for meta Borylation of Aromatic Amides
Authors: Bisht Ranjana , Hoque Md Emdadul , Chattopadhyay Buddhadeb
Published: October 2018

A new concept for the meta‐selective borylation of aromatic amides is described. It has been demonstrated that while esters gave para borylations, amides lead to meta borylations. For achieving high meta selectivity, an L‐shaped bifunctional ligand has been employed and engages in an O⋅⋅⋅K noncovalent interaction with the oxygen atom of the moderately distorted amide carbonyl group. This interaction provides exceptional control for meta C−H activation/borylation.
Katalytische reduktive N‐Alkylierungen unter Verwendung von CO2 und Carbonsäurederivaten: Aktuelle Entwicklungen
Authors: Cabrero‐Antonino Jose R. , Adam Rosa , Beller Matthias
Published: October 2018

N‐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

A 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

[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

In 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

Intelligente 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

Baulich‐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

Zum 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

When 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

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

Introduction

Intracerebral hemorrhage (ICH) is a lethal cerebrovascular disorder with a high mortality and morbidity. The pathophysiological mechanisms underlying ICH‐induced secondary injury remain unclear.

Methods

To 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.

Results

A 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.

Conclusions

It 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

Introduction

Mutations 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.

Methods

We 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.

Results

Two 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.

Conclusion

16p11.2 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.
Harming animals and massacring humans: Characteristics of public mass and active shooters who abused animals
Authors: Arluke Arnold , Lankford Adam , Madfis Eric
Published: October 2018

Researchers have extensively studied the tendency of certain violent criminals to hurt or torture animals, primarily focusing on domestic abusers and serial killers. However, little is known about the extent or nature of prior animal abuse among active shooters and public mass shooters. Public mass and active shooters essentially represent a single offender type: they are people who commit rampage attacks in public places and attempt to harm multiple victims beyond a single target. The only difference is that “mass” shootings are traditionally defined as cases resulting in the death of four or more victims, while “active” shootings have no minimum threshold. This study aimed to identify all publicly reported cases of active and mass shooters who engaged in animal cruelty, describe the nature of their violence toward animals and humans, and examine how they differ from other perpetrators without this history. Overall, this study found 20 cases of offenders with a publicly reported history of animal abuse. Comparisons between offenders with and without this history indicated that animal‐abusing offenders were more likely to be young and White, less likely to die at the crime scene, and more likely to kill and wound a large number of victims. While this finding supports the idea that animal abuse might be a warning sign for a small but deadly minority of mostly youthful offenders, it is likely not a robust signal of future shooters in general because animal abuse is rarely reported in this population of offenders at large.
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

Purpose

To 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/methods

A 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.

Results

Patients 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).

Conclusions

Patients 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

The 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.
Compassion is a key quality for palliative care teams
Authors: Kang Jung Hun , Go Se Il , Bruera Eduardo
Published: October 2018

Multidisciplinary team members including doctors, nurses, and chaplains, and social workers involve palliative. Therefore, it is not easy to define palliative care in a word. We are convinced that compassion is at the core of palliative care.
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

Metal 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

Liquid‐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.
Series expansion for shear stress in large‐amplitude oscillatory shear flow from oldroyd 8‐constant framework
Authors: Poungthong Pongthep , Giacomin Alan J. , Saengow Chaimongkol , Kolitawong Chanyut
Published: October 2018

When polymeric liquids undergo large‐amplitude oscillatory shear flow, the shear stress responds as a Fourier series, the higher harmonics of which are caused by the fluid nonlinearity, and the first harmonic of which is a nonlinear function of both the frequency and the shear rate amplitude. The Oldroyd 8‐constant framework for continuum constitutive theory contains a rich diversity of popular special cases for polymeric liquids. The shear stress response for the Oldroyd 8‐constant framework has recently yielded to exact analytical solution. However, in its closed form, Bessel functions appear 24 times, each within infinite summations. In this paper, to simplify the exact solution, we expand it in a Taylor series. We truncate the series after its 16th power of the shear rate amplitude. Our main result reduces to the well known expression for the corotational Jeffreys and corotational Maxwell fluids. Whereas these special cases yielded to the Goddard integral expansion (GIE), the more general Oldroyd 8‐constant framework does not. We use Ewoldt grids to show our main result to be highly accurate, for the corotational Jeffreys and corotational Maxwell fluids. For these two special cases, our solutions agree closely with the exact solutions so long as . We apply our main result for the special case of the Johnson‐Segalman fluid to describe the measured frequency sweep and shear rate amplitude sweep responses of molten atactic polystyrene. For this, we use the Spriggs relations to generalize our main result to multimode, which then agrees closely with the measured responses.
Does nonmetastatic inflammatory breast cancer have a worse prognosis than other nonmetastatic T4 cancers?
Authors: Romanoff Anya , Zabor Emily C. , Petruolo Oriana , Stempel Michelle , El‐Tamer Mahmoud , Morrow Monica , Barrio Andrea V.
Published: October 2018

Background

Both patients with inflammatory breast cancer (IFLBC) and patients with noninflammatory T4 breast cancer (non‐IFLBC) have a heavy disease burden in the breast; whether the unique biology of IFLBC conveys a higher locoregional recurrence (LRR) risk and worse outcomes in comparison with other T4 lesions is uncertain. Here the outcomes of patients with IFLBC and patients with non‐IFLBC treated with modern multimodality therapy are compared.

Methods

Patients with nonmetastatic T4 breast cancer treated with neoadjuvant chemotherapy, mastectomy, and radiation therapy between 2006 and 2016 were identified. Recurrences and survival were compared between patients with IFLBC and patients with non‐IFLBC overall and stratified by receptor subtype.

Results

For 199 T4 patients, the median age was 52 years, and the median clinical tumor size was 7 cm. One hundred seventeen (59%) had IFLBC. With a median follow‐up of 41 months, 4 patients had isolated LRR; all cases occurred in patients with IFLBC. The 5‐year isolated LRR rate for patients with IFLBC was 4.8%. Overall, 14 patients had both LRR and distant recurrence (DR); 47 had DR only. The 5‐year distant recurrence–free survival (DRFS) rates were similar for patients with IFLBC and patients with non‐IFLBC (63% vs 71%; log‐rank P = .14). The 5‐year DRFS rate was lowest among triple‐negative (TN) patients (43%) and was significantly lower for patients with TN IFLBC versus patients with non‐IFLBC (28% vs 62%; log‐rank P = .02). The 5‐year overall survival rates (71% vs 74%; log‐rank P = .4) and cancer‐specific survival rates (74% vs 79%; log‐rank P = .23) did not differ between IFLBC and non‐IFLBC.

Conclusions

Although IFLBC is often considered a unique biologic subtype, patients with IFLBC and patients with non‐IFLBC had similar outcomes with modern multimodality therapy; isolated LRR was uncommon. The TN subtype in patients with IFLBC is associated with poor outcomes, and this indicates the need for new treatment approaches in this group.
‘Dip Catalysts’ Based on Polymer‐Metal Nanocomposite Thin Films: Combining Soft‐Chemical Fabrication with Efficient Application and Monitoring
Authors: Madhuri U. Divya , Saha Jony , Radhakrishnan T. P.
Published: October 2018

Nanocatalysts can potentially harmonize the advantages of homogeneous and heterogeneous catalysts, provided they are sequestered in a suitable host matrix that not only enables convenient introduction into repeated reaction cycles, but also allows facile access for the reaction system. Polymer‐metal/semiconductor nanocomposite thin films fabricated through an in situ protocol offer a promising solution involving eco‐friendly synthesis and sustainable application. Salient features of the approach include (i) the simple, soft‐chemical fabrication methodology that also allows real‐time observation of the catalyst formation, (ii) efficient nanocatalyst action through the facile movement of the reactants and products to and from the catalyst site enabled by the swelling of the polymer matrix, and (iii) realization of the ‘dip catalyst’ concept that emphasizes the ease of insertion and retrieval of the thin film into and from the reaction system, coupled with the feasibility of effective catalyst monitoring through multiple uses. An overview of the nanocomposite thin film fabrication, types of nanostructures that have been reported in this context, deployment of the thin film ‘dip catalysts’ in several reactions, and emerging new directions in the field and open problems are presented.
Exploiting the Ring Strain of Diphosphetanes: A Synthetic and Computational Approach towards 1,2,5‐Selenadiphospholanes
Authors: Coburger Peter , Aures Richard , Schulz Paulina , Hey‐Hawkins Evamarie
Published: October 2018

A carboranyl‐based meso‐1,2,5‐selenadiphospholane diselenide was synthesised starting from a strained carborane‐substituted 1,2‐diphosphetane and subsequently reduced to an unprecedented carboranyl‐based meso‐1,2,5‐selenadiphospholane. The electronic structure and the bonding situation for both compounds were investigated by density functional theory (DFT), Natural Bond Orbital (NBO) analyses, Fractional Occupation Density (FOD) analysis, Complete Active Space Self Consistent Field (CASSCF) calculations and time‐dependent DFT (TDDFT) calculations. Ring‐opening reactions of meso‐1,2,5‐selenadiphospholane with nucleophiles and electrophiles are reported together with calculated reaction mechanisms (DFT level). Isolated compounds were characterised by NMR and IR spectroscopy, high‐resolution mass spectrometry, elemental analysis and single‐crystal X‐ray diffraction.
Synthesis of Nucleoside‐5′‐O‐Tetraphosphates from Activated Trimetaphosphate and Nucleoside‐5′‐O‐Monophosphates
Authors: Mohamady Samy , Taylor Scott D.
Published: October 2018

This article describes a straight‐forward chemical method for the synthesis of nucleoside‐5′‐O‐tetraphosphates, such as cytosine‐, guanosine‐, adenosine‐, and uridine‐5′‐O‐tetraphosphates, starting from the corresponding nucleoside monophosphates and trimetaphosphate, a readily available and inexpensive starting material. The procedure involves reacting the tri(tetrabutylammonium) salt of trimetaphosphate with mesitylenesulfonyl chloride and N‐methylimidazole. The resulting activated cyclic trimetaphosphate is reacted with the tetrabutylammonium salts of nucleoside monophosphates. After quenching the reaction with buffer and high‐performance liquid chromatography purification, the desired nucleoside‐5′‐O‐tetraphosphates were obtained in yields of 84% to 86%. © 2018 by John Wiley & Sons, Inc.
Generation of MLC‐2v‐tdTomato knock‐in reporter mouse line
Authors: Zhang Zhentao , Nam Young‐Jae
Published: October 2018

MLC‐2v is a myosin light chain regulatory protein which is specifically expressed in ventricular cardiomyocytes and slow twitch skeletal muscle cells. MLC‐2v plays critical roles in ventricular maturation during heart development. Mice lacking MLC‐2v are embryonic lethal due to heart failure associated with abnormal myofibrillar organization of ventricular cardiomyocytes. To study the development of ventricular cardiac muscle and slow twitch skeletal muscle, we generated a new MLC‐2v reporter mouse line by knocking‐in a tdTomato reporter cassette into 3′ UTR of the MLC‐2v gene without disrupting the endogenous gene. Our results demonstrated specific MLC‐2v‐tdTomato knock‐in reporter expression in ventricular cardiomyocytes and slow twitch muscle during myogenesis, precisely recapitulating the spatiotemporal expression pattern of endogenous MLC‐2v. No tdTomato expression was observed in the atria, fast twitch muscle or other organs throughout development into adulthood. Isolated neonatal and adult ventricular cardiomyocytes uniformly express tdTomato. Taken together, MLC‐2v‐tdTomato knock‐in reporter mouse model described in this article will serve as a valuable tool to study cardiac chamber and skeletal muscle specification during development and regeneration by overcoming the pitfalls of transgenic strategies.
Bisarylselanylbenzo‐2,1,3‐selenadiazoles: Synthesis, Photophysical, Electrochemical and Singlet‐Oxygen‐Generation Properties
Authors: Balaguez Renata A. , Krüger Roberta , Iepsen Bruna , Schumacher Ricardo F. , Oliboni Robson S. , Barcellos Thiago , Junqueira Helena C. , Baptista Maurício S. , Iglesias Bernardo A. , Alves Diego
Published: October 2018

We describe herein our results on the synthesis of bisarylselanylbenzo‐2,1,3‐selenadiazoles through double cross‐coupling reaction. The named compounds were obtained in moderate to good yields by reactions of a range of diaryl diselenides with the 4,7‐dibromobenzo[c][1,2,5]selenadiazole using 20 mol‐% of CuO nanoparticles as a catalyst. In addition, the obtained compounds were investigated regarding their photophysical properties in solution and singlet oxygen generation. Bisarylselanylbenzo‐2,1,3‐selenadiazoles presents strong absorption bands at UV region and red emission properties, depending on the substituent. Geometrical, photophysical and electronic properties of the compounds are characterized with density functional theory calculations. In all derivatives are observed the oxidation process of Se atom, using electrochemical analysis. Also, the quantum yields of photosensitized 1O2 production of the synthesized compounds were slightly lower than the standard, but still displays good ability to generate singlet oxygen species. The ability to generate 1O2 of benzo‐2,1,3‐selenadiazole derivatives after being exposed to light and oxygen allowed us to envisage them as a potential application in photodynamic therapy.