bluuebunny/crossref_metadata_2025_split huggingface dataset:
Rationalizing the Molecular Design of Hole‐Selective Contacts to Improve Charge Extraction in Perovskite Solar Cells
Authors: Wang Qiong , Mosconi Edoardo , Wolff Christian , Li Junming , Neher Dieter , De Angelis Filippo , Suranna Gian Paolo , Grisorio Roberto , Abate Antonio 
Published: June 2019

AbstractTwo new hole selective materials (HSMs) based on dangling methylsulfanyl groups connected to the C‐9 position of the fluorene core are synthesized and applied in perovskite solar cells. Being structurally similar to a half of Spiro‐OMeTAD molecule, these HSMs (referred as FS and DFS) share similar redox potentials but are endowed with slightly higher hole mobility, due to the planarity and large extension of their structure. Competitive power conversion efficiency (up to 18.6%) is achieved by using the new HSMs in suitable perovskite solar cells. Time‐resolved photoluminescence decay measurements and electrochemical impedance spectroscopy show more efficient charge extraction at the HSM/perovskite interface with respect to Spiro‐OMeTAD, which is reflected in higher photocurrents exhibited by DFS/FS‐integrated perovskite solar cells. Density functional theory simulations reveal that the interactions of methylammonium with methylsulfanyl groups in DFS/FS strengthen their electrostatic attraction with the perovskite surface, providing an additional path for hole extraction compared to the sole presence of methoxy groups in Spiro‐OMeTAD. Importantly, the low‐cost synthesis of FS makes it significantly attractive for the future commercialization of perovskite solar cells.
Room‐Temperature Rechargeable Ca‐Ion Based Hybrid Batteries with High Rate Capability and Long‐Term Cycling Life
Authors: Lang Jihui , Jiang Chunlei , Fang Yue , Shi Lei , Miao Shijie , Tang Yongbing 
Published: June 2019

AbstractCalcium‐ion batteries (CIBs) are promising energy storage devices due to the merits of natural abundance, similar standard reduction potential to lithium, and bivalent‐ion characteristic of calcium. However, the development of CIBs is hindered by the low rate capability and poor cycling performance at room temperature. Here, a highly reversible room‐temperature calcium‐ion based hybrid battery is realized by a tri‐ion strategy, which significantly improves the diffusion kinetics of calcium ions. The optimized CIB shows high rate capability of 15 C as well as excellent cycling stability over 1500 cycles with 86% capacity retention at 5 C, at room temperature, which is the best result of reported calcium‐ion based full batteries.
High‐Performance Solution‐Processed Double‐Walled Carbon Nanotube Transparent Electrode for Perovskite Solar Cells
Authors: Jeon Il , Yoon Jungjin , Kim Unsoo , Lee Changsoo , Xiang Rong , Shawky Ahmed , Xi Jun , Byeon Junseop , Lee Hyuck Mo , Choi Mansoo , Maruyama Shigeo , Matsuo Yutaka 
Published: June 2019

AbstractDouble‐walled carbon nanotubes are between single‐walled carbon nanotubes and multiwalled carbon nanotubes. They are comparable to single‐walled carbon nanotubes with respect to the light optical density, but their mechanical stability and solubility are higher. Exploiting such advantages, solution‐processed transparent electrodes are demonstrated using double‐walled carbon nanotubes and their application to perovskite solar cells is also demonstrated. Perovskite solar cells which harvest clean solar power have attracted a lot of attention as a next‐generation renewable energy source. However, their eco‐friendliness, cost, and flexibility are limited by the use of transparent oxide conductors, which are inflexible, difficult to fabricate, and made up of expensive rare metals. Solution‐processed double‐walled carbon nanotubes can replace conventional transparent electrodes to resolve such issues. Perovskite solar cells using the double‐walled carbon nanotube transparent electrodes produce an operating power conversion efficiency of 17.2% without hysteresis. As the first solution‐processed electrode‐based perovskite solar cells, this work will pave the pathway to the large‐size, low‐cost, and eco‐friendly solar devices.
Mosaic paternal haploidy in a patient with pancreatoblastoma and Beckwith–Wiedemann spectrum
Authors: Lee Cheng‐Ting , Tung Yi‐Ching , Hwu Wuh‐Liang , Shih Jin‐Chung , Lin Wen‐Hsi , Wu Mu‐Zon , Kuo Kuan‐Ting , Yang Yung‐Li , Chen Huey‐Ling , Chen Ming , Su Yi‐Ning , Jong Yiin‐Jeng , Liu Shih‐Yao , Tsai Wen‐Yu , Lee Ni‐Chung 
Published: June 2019

AbstractPancreatoblastoma is a rare type of pancreatic cancer in children. Here, we describe a case in which Beckwith‐Wiedemann syndrome (BWS) was first suspected because of placental mesenchymal dysplasia. Although the baby did not show the stigmata characteristic of BWS or abnormal peripheral blood methylation, she developed a massive pancreatoblastoma 2 months later. She survived after partial excision of the tumor and chemotherapy. The methylation pattern of the pancreatoblastoma tissue was typical of BWS. Single nucleotide polymorphism (SNP) array analyzes revealed that the pancreatoblastoma tissue had genome‐wide loss of maternal alleles. Peripheral blood and nontumor pancreatic tissue showed normal biparental genomic contribution. Interphase fluorescence in situ hybridization analysis with centromeric probes for chromosomes 2 and 11 revealed haploid pancreatoblastoma cells, whereas the placental mesenchymal dysplasia tissue and nontumor pancreas tissue showed diploidy. SNP genotype analysis suggested the presence of mosaicism with the pancreatoblastoma tissue having a different paternal haplotype than that of the peripheral blood and nontumor pancreatic tissue. We report for the first time mosaic paternal haploidy associated with pancreatoblastoma. Babies with placental mesenchymal dysplasia, even those without a definitive diagnosis of BWS, need to be closely followed for the occurrence of embryonic tumors.
Disease coding systems for arthrogryposis multiplex congenita
Authors: Bedard Tanya , Lowry R. Brian 
Published: June 2019

AbstractArthrogryposis multiplex congenita (AMC) encompasses many different conditions, involves many different genes and thus can be very complex. Using historical disease coding systems to document syndrome diagnoses and anomalies associated with AMC is often challenging. However, disease coding systems are necessary to provide opportunities for a standard language to be maintained and pertinent data to be identified in the pediatric AMC registry, congenital anomalies surveillance systems, and routine or administrative health information systems. The ICD‐10, Orphanet, Online Mendelian Inheritance in Man, and the Human Phenotype Ontology coding and classification systems are described to establish a comprehensive coding strategy. This strategy will provide a necessary tool to contribute to a better understanding of AMC and ultimately improve the health of individuals with AMC.
A model‐based quantification of the impact of new manufacturing technologies on developing country vaccine supply chain performance: A Kenyan case study
Authors: Kis Zoltán , Papathanasiou Maria , Calvo‐Serrano Raul , Kontoravdi Cleo , Shah Nilay 
Published: June 2019

AbstractVaccine manufacture currently follows a centralized approach dominated by large‐scale, nonflexible, and product‐specific facilities, which require high investment costs. Emerging vaccine platform technologies, such as RNA vaccines, outer membrane vesicle vaccines with genetically customizable membrane antigens (customOMV), virus‐like particle vaccines with genetically configurable epitopes (customVLP), and humanized yeast‐produced vaccines, as well as new intensified out‐scalable biomanufacturing processes will enable a decentralized manufacturing approach. This is anticipated to be faster to produce, flexible, and implementable at locations with high vaccine demand. In this work, we quantify the potential impact of these technologies on the Kenyan supply chain network. Here, we have employed techno‐economic modeling and mixed integer optimization to investigate the impact of novel vaccine manufacturing technologies on the profitability of supply chain logistics in Kenya. The model results indicate that: (a) manufacturing accounts for the highest proportion of the total supply chain costs, (b) the cost per dose of vaccines produced using emerging platform technologies can be an order of magnitude lower compared to the dose cost of inactivated polio vaccines, and (c) the use of intensified production processes contained inside isolators render small‐scale distributed manufacturing economically viable.
Electronic Transport and Thermopower in 2D and 3D Heterostructures—A Theory Perspective
Authors: Majee Arnab K. , Kommini Adithya , Aksamija Zlatan 
Published: June 2019

AbstractThe impact of interfaces and heterojuctions on the electronic and thermoelectric transport properties of materials is discussed herein. Recent progress in understanding electronic transport in heterostructures of 2D materials ranging from graphene to transition metal dichalcogenides, their homojunctions (grain boundaries), lateral heterojunctions (such as graphene/MoS2lateral interfaces), and vertical van der Waals heterostructures is reviewed. Work on thermopower in 2D heterojunctions, as well as their applications in creating devices such as resonant tunneling diodes (RTDs), is also discussed. Last, the focus turns to work in 3D heterostructures. While transport in 3D heterostructures has been researched for several decades, here recent progress in theory and simulation of quantum effects on transport via the Wigner and non‐equilibrium Green's functions approaches is reviewed. These simulation techniques have been successfully applied toward understanding the impact of heterojunctions on transport properties and thermopower, which finds applications in energy harvesting, and electron resonant tunneling, with applications in RTDs. In conclusion, tremendous progress has been made in both simulation and experiments toward the goal of understanding transport in heterostructures and this progress will soon be parlayed into improved energy converters and quantum nanoelectronic devices.
Isolated Square‐Planar Copper Center in Boron Imidazolate Nanocages for Photocatalytic Reduction of CO2 to CO
Authors: Zhang Hai‐Xia , Hong Qin‐Long , Li Jing , Wang Fei , Huang Xinsong , Chen Shumei , Tu Wenguang , Yu Dingshan , Xu Rong , Zhou Tianhua , Zhang Jian 
Published: June 2019

AbstractPhotocatalytic reduction of CO2 to value‐added fuel has been considered to be a promising strategy to reduce global warming and shortage of energy. Rational design and synthesis of catalysts to maximumly expose the active sites is the key to activate CO2 molecules and determine the reaction selectivity. Herein, we synthesize a well‐defined copper‐based boron imidazolate cage (BIF‐29) with six exposed mononuclear copper centers for the photocatalytic reduction of CO2. Theoretical calculations show a single Cu site including weak coordinated water delivers a new state in the conduction band near the Fermi level and stabilizes the *COOH intermediate. Steady‐state and time‐resolved fluorescence spectra show these Cu sites promote the separation of electron–hole pairs and electron transfer. As a result, the cage achieves solar‐driven reduction of CO2 to CO with an evolution rate of 3334 μmol g−1 h−1 and a high selectivity of 82.6 %.
Study of nano‐Cu/SiO2 catalysts for highly selective hydrogenation of acetophenone
Authors: Wang Bing , Zhang Chao , Wang Jinkai , An Hao , Guo Zhenmei , Lv Zhiguo 
Published: June 2019

Hydrogenation of acetophenone over nano‐Cu/SiO2 catalysts was investigated. The catalysts, prepared by a liquid precipitation method using various precipitating agents, were characterized using low‐temperature nitrogen adsorption, X‐ray diffraction, temperature‐programmed desorption of ammonia, hydrogen temperature‐programmed reduction, transmission electron microscopy and X‐ray photoelectron spectroscopy. It was found that the catalysts prepared by a homogeneous precipitation method had better activity and stability than those prepared by a co‐precipitation method. The catalyst prepared using urea as precipitating agent had well‐dispersed copper species, high surface area and abundant pore structure. The catalytic performance and mechanism of the Cu/SiO2 catalysts were further studied. It was found that the activity and stability of the catalysts could be improved by adjusting the proportion of Cu+/(Cu+ + Cu0). The sample prepared using urea as precipitating agent presented higher activity and selectivity. Also, the catalyst prepared using urea maintained a high catalytic performance while being continuously used for 150 h under the optimal reaction conditions.
Crosslinked anion exchange membrane with improved membrane stability and conductivity for alkaline fuel cells
Authors: Wang Lidan , Liu Ying , Wang Jianyou 
Published: June 2019

ABSTRACTAs a core component of anion exchange membrane (AEM) fuel cells, it has practical significance to improve the performance of AEMs. However, it is difficult to obtain AEM with both good stability and high conductivity. In this study, a series of AEMs were prepared by chloromethylation, quaternization, and crosslinking reactions. The quaternization reaction was carried out first to ensure that there are abundant quaternary ammonium groups on AEM and enhance the conductivity of membrane.N,N,N′,N′‐tetramethylethylenediamine was used as a crosslinker to improve membrane stability and mechanical property. A simple, mild, and cost‐effective AEM synthetic route was developed. This strategy achieves a certain balance of electrochemical and physical properties. The effect of the crosslinking reactions on the property of membrane was evaluated. Crosslinked membranes have better dimensional stability (water uptake: 20.2% and swelling ratio: 2.1%), mechanical properties (55.84 MPa), and alkaline stability because crosslinked structures result in large steric hindrance. The mutually independent quaternization and crosslinking reaction do not affect the electrochemical performance of membranes; in the crosslinking reaction stage, crosslinker also reacted as quaternization agent and increased the number of reactive groups in AEM. Thus, the resulting crosslinked AEM exhibits higher ion exchange capacity and ionic conductivities (46.4 mS cm−1). © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci.2019,136, 48169.
A good start of immunotherapy in esophageal cancer
Authors: Zhao Qian , Yu Jinming , Meng Xue 
Published: June 2019

AbstractConsidering the benefits of immunotherapy in advanced melanoma, non–small cell lung cancer, renal cell carcinoma, bladder cancers, and refractory Hodgkin lymphoma, we begin to consider whether immunotherapy is effective for esophageal cancer, which is extremely malignant and has a poor prognosis. There are a large number of clinical trials to study the application of immunotherapy such as immune checkpoint inhibitors, peptide vaccine, adoptive T cell transfer and oncolytic virus in esophageal cancer. Some already have preliminary results and show the advantages of immunotherapy in esophageal cancer, while others are still in progress. This review aims to introduce the feasibility and current status of immunotherapy in esophageal cancer.
RECQL5 plays an essential role in maintaining genome stability and viability of triple‐negative breast cancer cells
Authors: Peng Jin , Tang Lichun , Cai Mengjiao , Chen Huan , Wong Jiemin , Zhang Pumin 
Published: June 2019

AbstractTriple‐negative breast cancer (TNBC) is a malignancy that currently lacks targeted therapies. The majority of TNBCs can be characterized as basal‐like and has an expression profile enriched with genes involved in DNA damage repair and checkpoint response. Here, we report that TNBC cells are under replication stress and are constantly generating DNA double‐strand breaks, which is not seen in non‐TNBC cells. Consequently, we found that RECQL5, which encodes a RecQ family DNA helicase involved in many aspects of DNA metabolism including replication and repair, was essential for TNBC cells to survive and proliferate in vitro and in vivo. Compromising RECQL5 function in TNBC cells results in persistence of DNA damage, G2 arrest, and ultimately, cessation of proliferation. Our results suggest RECQL5 may be a potential therapeutic target for TNBC.
Identification of a Hotspot Residue for Improving the Thermostability of a Flavin‐Dependent Monooxygenase
Authors: Pongpamorn Pornkanok , Watthaisong Pratchaya , Pimviriyakul Panu , Jaruwat Aritsara , Lawan Narin , Chitnumsub Penchit , Chaiyen Pimchai 
Published: June 2019

AbstractHadA is a flavin‐dependent monooxygenase that can catalyze the denitration and dehalogenation of a wide variety of toxicants such as pesticides. Although these enzymatic reactions are useful for bioremediation or biocatalysis, the application of HadA for these purposes is not yet possible because of its low thermostability. In this work we have engineered HadA to be more thermostable through the use of structural, in silico, and rational approaches. The X‐ray structure of HadA was solved to obtain a reliable three‐dimensional protein model for further prediction of thermostable variants. In silico analysis by using two bioinformatic tools—FireProt and Disulfide by Design—suggested 102 variants that we then further refined by applying rational criteria including the location of a particular residue and its nearby interactions, as well as other biophysical parameters to narrow down the list to six candidates. The G513Y variant was found to be an optimal engineered candidate because it has significantly improved stability relative to the wild‐type enzyme and equivalent activity. G513Y has an activity half‐life 72 (50 °C) and 160 times (45 °C) longer than that of the wild‐type enzyme. Coupled together with thermostable reactions of reduced flavin and NADH‐regenerating systems, the G513Y variant can be used to catalyze denitration of 4nitrophenol at 45 °C. Structure/sequence alignments of HadA and its homologues indicate that several flavin‐dependent monooxygenases also contain amino acid residues homologous to the G513 of HadA, hence opening up the possibility of applying this engineering approach to improving their thermostabilities as well. Molecular dynamics (MD) simulations confirmed that the improved thermostability of the G513Y variant was due to aromatic hydrocarbon interactions between Y513 and N359, L347, G348, and F349.
Use of steerable catheters for endovascular procedures: Report of a CASE and literature review
Authors: Mazzaccaro Daniela , Castronovo Enza Lucia , Righini Paolo , Nano Giovanni 
Published: June 2019

AbstractWe report a case of a celiac trunk stenting using a steerable guiding catheter, to fix a residual endoleak following fenestrated endovascular repair (FEVAR) of a thoraco‐abdominal aortic aneurysm (TAAA). A systematic search of the literature about the use of steerable catheters was also performed on Pubmed according to the PRISMA Guidelines, including all papers in which the device was used for in vivo endovascular procedures. In our case report, the patient had undergone a failed attempt of cannulation due to the presence of a severely angulated and stenosed ostium of the vessel. A steerable catheter was then used to fix the residual endoleak. The search of the Literature retrieved 544 papers. Of them, 13 met the inclusion criteria and were therefore assessed. The use of steerable sheaths and catheters was reported as effective and safe for the cannulation of 157 target vessels in 131 endovascular procedures, with a success rate of 95.5% and no complications. The use of a steerable guiding catheter in our experience was safe and effective for the selective cannulation of a severely stenosed and angulated celiac trunk, to correct a residual endoleak after FEVAR for TAAA. Steerable catheters could be useful tools for the selective cannulation of target vessels with a challenging ostium.
Effect of konjac glucomannan on physicochemical properties of quinoa and maize starches
Authors: Zhu Fan , Zhang Yu 
Published: June 2019

AbstractBackground and objectivesKonjac glucomannan (KGM) is a nonionic polysaccharide that can be used in food products for improved functionalities. Quinoa is becoming a popular ingredient for food formulations due to its attractive functional and nutritional properties. To better understand the interactions of KGM in starch‐based systems, the effect of added KGM up to 20% on physicochemical properties of quinoa starch was studied and compared to that of maize starch.FindingsKonjac glucomannan addition increased viscosities of both starches during pasting. The addition increased the swelling power and water solubility of the starches, while improving the gelation of starch pastes. KGM addition decreased the in vitro digestibility of raw and cooked starches. Comparative analysis showed that KGM affected the properties of the two starches to similar extents.ConclusionsKonjac glucomannan can be used to modify the functionalities of starch. This study provides basis to use KGM for food formulations with quinoa and maize.Significance and noveltyKonjac glucomannan could be used as a food additive in starch systems for rheological modifications and glycemic control regardless of the starch granule size.
In‐situ Photosynthetic Route to Tailor Point Defects in TiO2(B) Nanosheets for Visible Light‐Driven Photocatalytic Hydrogen Production
Authors: Wang Ping , Yi Zhouxiang , Zhang Jiajia , Cai Zhengyang , Lyu Bowen , Yang Junhe , Wang Xianying 
Published: June 2019

AbstractIn‐situ UV‐irradiation activation leads to an intense visible‐light absorption of up to 700 nm in ethylene glycolate‐stabilized TiO2(B) nanosheets. It is ascribed that the creation of abundant subsurface/lattice oxygen vacancies and Ti3+ centers, along with UV‐induced breakdown of Ti−O bonds between ethylene glycolate and TiO2(B). Consequently, the enhanced and stable visible‐light‐driven photocatalytic H2 evolution is obtained on defect‐rich TiO2(B) nanosheets.
Four‐Center Nodes: Supramolecular Synthons Based on Cyclic Halogen Bonding
Authors: Kryukova Mariya A. , Ivanov Daniil M. , Kinzhalov Mikhail A. , Novikov Alexander S. , Smirnov Andrey S. , Bokach Nadezhda A. , Yu. Kukushkin Vadim 
Published: June 2019

AbstractThe isocyanide trans‐[PdBr2(CNC6H4‐4‐X′)2] (X′=Br, I) and nitrile trans‐[PtX2(NCC6H4‐4‐X′)2] (X/X′=Cl/Cl, Cl/Br, Br/Cl, Br/Br) complexes exhibit similar structural motif in the solid state, which is determined by hitherto unreported four‐center nodes formed by cyclic halogen bonding. Each node is built up by four Type II C−X′⋅⋅⋅X−M halogen‐bonding contacts and include one Type I M−X⋅⋅⋅X−M interaction, thus giving the rhombic‐like structure. These nodes serve as supramolecular synthons to form 2D layers or double chains of molecules linked by a halogen bond. Results of DFT calculations indicate that all contacts within the nodes are typical noncovalent interactions with the estimated strengths in the range 0.6–2.9 kcal mol−1.