bluuebunny/crossref_metadata_2025_split huggingface dataset:
Modulating Electronic Structures of Inorganic Nanomaterials for Efficient Electrocatalytic Water Splitting
Authors: Du Xinchuan , Huang Jianwen , Zhang Junjun , Yan Yichao , Wu Chunyang , Hu Yin , Yan Chaoyi , Lei Tianyu , Chen Wei , Fan Cong , Xiong Jie 
Published: October 2018

AbstractElectrocatalytic water splitting is one of the most promising sustainable energy conversion technologies, but is limited by the sluggish electrochemical reactions. Inorganic nanomaterials have been widely used as efficient catalysts for promoting the electrochemical kinetics. Several approaches to optimize the activities of these nanocatalysts have been developed. The electronic structures of the catalysts play a pivotal role in governing the activity and thus have been identified as an essential descriptor. However, the underlying working mechanisms related to the refined electronic structures remain elusive. To establish the structure–electronic‐behavior–activity relationship, a comprehensive overview of the developed strategies to regulate the electronic structures is presented, emphasizing the surface modification, strain, phase transition, and heterostructure. Current challenges to the fundamental understanding of electron behaviors in the nanocatalysts are fully discussed.
Specific Association of HLA–DRB1*03 With Anti–Carbamylated Protein Antibodies in Patients With Rheumatoid Arthritis
Authors: Regueiro Cristina , Rodríguez‐Rodríguez Luis , Triguero‐Martinez Ana , Nuño Laura , Castaño‐Nuñez Angel L. , Villalva Alejandro , Pérez‐Pampín Eva , Lopez‐Golan Yolanda , Abasolo Lydia , Ortiz Ana M. , Herranz Eva , Pascual‐Salcedo Dora , Martínez‐Feito Ana , Boveda María Dolores , Gomez‐Reino Juan J. , Martín Javier , Gonzalez‐Escribano María Francisca , Fernández‐Gutiérrez Benjamín , Balsa Alejandro , González‐Álvaro Isodoro , González Antonio 
Published: October 2018

ObjectiveRecognition of a new type of rheumatoid arthritis (RA)–specific autoantibody, the anti–carbamylated protein antibodies (anti‐CarP), has provided an opportunity to improve the management and understanding of RA. The current study was undertaken to assess the relationship between anti‐CarP antibodies and HLA–DRB1 alleles in RA.MethodsSerum samples were obtained from 3 different collections, comprising a total of 1,126 RA patients. Serum reactivity against in vitro carbamylated fetal calf serum proteins was determined by enzyme‐linked immunosorbent assay. HLA–DRB1 alleles were determined using either hybridization techniques or imputation from HLA‐dense genotypes. Results of these analyses were combined in a meta‐analysis with data from 3 previously reported cohorts. The carrier frequencies of the common HLA–DRB1 alleles were compared between the antibody‐positive RA subgroups and the double‐negative subgroup of RA patients stratified by anti–citrullinated protein antibody (ACPA)/anti‐CarP antibody status, and also between the 4 RA patient strata and healthy controls.ResultsMeta‐analysis was conducted with 3,709 RA patients and 2,305 healthy control subjects. Results revealed a significant increase in frequency of HLA–DRB1*03 carriers in the ACPA−/anti‐CarP+ subgroup as compared to ACPA−/anti‐CarP− RA patients and healthy controls; this was consistently found across the 6 sample collections. This association of HLA–DRB1*03 with ACPA−/anti‐CarP+ RA was independent of the presence of the shared allele (SE) and any other confounders analyzed. No other allele was specifically associated with the ACPA−/anti‐CarP+ RA patient subgroup. In contrast, frequency of the SE was significantly increased in the ACPA+/anti‐CarP− and ACPA+/anti‐CarP+ RA patient subgroups, without a significant distinction between them. Furthermore, some alleles (including HLA–DRB1*03) were associated with protection from ACPA+ RA.ConclusionThese findings indicate a specific association of HLA–DRB1*03 with ACPA−/anti‐CarP+ RA, suggesting that preferential presentation of carbamylated peptides could be a new mechanism underlying the contribution of HLA alleles to RA susceptibility.
Pharmacokinetic studies of soyalkaloid A from Portulaca oleracea L. using ultra high‐performance liquid chromatography electrospray ionization quadrupole–time of flight mass spectrometry and its antioxidant activity
Authors: Xiu Fen , Ying Zheming , Ying Xixiang , Yang Guanlin 
Published: October 2018

AbstractSoyalkaloid A was isolated from Portulaca oleracea L. for the first time in our laboratory and then a rapid and sensitive ultra‐high‐performance liquid chromatography electrospray ionization quadrupole–time of flight mass spectrometry (UHPLC–ESI–Q–TOF/MS) method with hesperidin as internal standard (IS) was developed and validated to investigate the pharmacokinetics of soyalkaloid A in rats after oral and intravenous administrations. The analysis was achieved on an Agilent Zorbax Eclipse Plus C18 Column (2.1 × 50 mm, 1.8 μm) by elution with acetonitrile and water (containing 0.1% formic acid), at a flow rate of 0.3 mL/min. The MS analysis was performed in the positive ion mode with monitored ion m/z 227.0814 [M + H]+ and 611.1971 [M + H]+ for soyalkaloid A and IS, respectively. The linear range was established over the concentration range 7.5–6000 ng/mL (r = 0.9951). The intra‐ and inter‐assay accuracy and precision were between −4.86‐4.49 and 1.93–9.66, respectively. The lower limits of detection and quantitation observed were 2.1 and 7.4 ng/mL, respectively. The rapid, sensitive and specific UHPLC–ESI–Q–TOF/MS method was successfully applied to a pharmacokinetic study of soyalkaloid A. Moreover, its antioxidant was studied via a 1,1‐diphenyl‐2‐picryl‐hydrazyl radical scavenging assay, the IC50 value being 20.73 ± 0.51 μM.
Structural and Mechanistic Insight into Terpene Synthases that Catalyze the Irregular Non‐Head‐to‐Tail Coupling of Prenyl Substrates
Authors: Kobayashi Masaya , Kuzuyama Tomohisa 
Published: October 2018

AbstractTerpenoids have diverse structures and thus represent an important class of biologically active natural products. The structural diversity of terpenoids originates from the coupling of prenyl diphosphate substrates, such as isopentenyl diphosphate and dimethylallyl diphosphate. These isoprenyl diphosphates undergo canonical and sequential “head‐to‐tail” coupling catalyzed by terpene synthases, followed by modifications such as cyclization, hydroxylation, and glycosylation. In recent years, several terpene synthases that catalyze irregular “non‐head‐to‐tail” couplings to afford branched terpenoids have been identified. This minireview describes structural and mechanistic insights into these unusual coupling reactions that provide a new strategy for the structural diversification of natural products.
Prospective, large‐scale multicenter trial for the use of drug‐coated balloons in coronary lesions: The DCB‐only All‐Comers Registry
Authors: Rosenberg Mark , Waliszewski Matthias , Chin Kenneth , Ahmad Wan Azman Wan , Caramanno Giuseppe , Milazzo Diego , Nuruddin Amin Ariff , Liew Houng Bang , Maskon Oteh , Aubry Pierre , Poyet Raphael , Frey Norbert 
Published: October 2018

AbstractObjectivesThis prospective, observational all‐comers registry assessed the safety and efficacy of a Drug Coated Balloon‐only strategy (DCB‐only) in patients with coronary lesions.BackgroundData regarding the performance of a DCB‐only approach, especially in patients with previously untreated de‐novo coronary artery disease (CAD), are still limited.MethodsThis study was conducted as an international, multicenter registry primarily enrolling patients with de‐novo CAD. However, it was also possible to include patients with in‐stent restenosis (ISR). The primary endpoint was the rate of clinically driven target lesion revascularization (TLR) after 9 months.ResultsA total of 1,025 patients with a mean age of 64.0 ± 11.2 years were enrolled. The majority of treated lesions were de‐novo (66.9%), followed by drug‐eluting‐stent ISR (DES‐ISR; 22.6%) and bare‐metal‐stent ISR (BMS‐ISR; 10.5%). The TLR rate was lower in the de‐novo group (2.3%) when compared to BMS‐ (2.9%) and DES‐ISR (5.8%) (P = 0.049). Regarding MACE, there was a trend toward fewer events in the de‐novo group (5.6%) than in the BMS‐ (7.8%) and DES‐ISR cohort (9.6%) (P = 0.131). Subgroup analyses revealed that lesion type (95% CI 1.127–6.587); P = 0.026) and additional stent implantation (95% CI 0.054–0.464; P = 0.001) were associated with higher TLR rates.ConclusionsOur results show that DCB‐only angioplasty of de‐novo coronary lesions is associated with low MACE and TLR rates. Thus, DCBs appear to be an attractive alternative for the interventional, stentless treatment of suitable de‐novo coronary lesions.
Closure of mid‐bore venotomies with VASCADE VCD after right and left heart catheterization
Authors: Hmoud Hosam , Sturla Matteo , Delucia Louis , DeGregorio Lucius , DeGregorio Joseph 
Published: October 2018

AbstractObjectiveThis single‐center, retrospective analysis investigated the clinical outcomes of a novel vascular closure device (VASCADE, Cardiva Medical, Santa Clara, CA) for closure of 7F femoral venotomies.BackgroundThe VASCADE closure device has been widely used to close arteriotomy sites following femoral procedures; however, little data have been published regarding the device's utility in closure of venotomy sites after procedures such as right‐heart catheterization.MethodsThis was a retrospective analysis of outcomes in 102 consecutive patients who underwent venous closure using the VASCADE device following diagnostic right and left‐heart catheterization between April 2016 to May 2018. Patients’ age, gender, valvular disease status, comorbidities, and periprocedural use of antiplatelet/anticoagulant therapy were analyzed.ResultsClosure was successful in 99% (101/102) of patients with respect to achieving the primary outcome of rapid hemostasis in ≤3 min. There was one device failure requiring manual compression, with no further complications. There were no other related adverse events or complications through 30 days of follow‐up.ConclusionsThe VASCADE device achieved venous hemostasis in nearly all our patients. We believe devices for venous closure can aid in improving patient experience, safety, and efficiency during these procedures.
A New Insight into Active Cu2+ Species Properties in One‐Pot Synthesized Cu‐SSZ‐13 Catalysts for NOx Reduction by NH3
Authors: Chen Jiawei , Zhao Ru , Zhou Renxian 
Published: October 2018

AbstractThe Cu‐SSZ‐13 catalysts with different copper content are prepared by one‐pot method and changing the mole ratio of Cu‐tetraethylenepentamine/Al2O3. Cu‐SSZ‐13 catalyst with 3.25 wt.% Cu exhibits excellent catalytic activity (operation temperature window of 145–490 °C), adaptability to high GHSV (gas hourly space velocity) and hydrothermal stability in NH3‐SCR reaction. The results of XRD Rietveld refinement coupled with H2‐TPR and EPR show that three active Cu2+ species (Cu1, Cu2 and Cu3) locate in various sites in the CHA (chabazite) structure and play different action in NH3‐SCR reaction. Cu1 species situated close to an eight‐membered‐ring play a crucial role in the low temperature activity for its optimum reduction ability. While Cu3 species located in the center of the hexagonal prism are the most stable and its content basically remains unchanged after SO2 pretreatment, which contributes to the excellent SO2 resistance.
Enantioselective Benzylic Hydroxylation of Arylalkanes with H2O2 in Fluorinated Alcohols in the Presence of Chiral Mn Aminopyridine Complexes
Authors: Ottenbacher Roman V. , Talsi Evgenii P. , Rybalova Tatyana V. , Bryliakov Konstantin P. 
Published: October 2018

AbstractA series of chiral bioinspired Mn‐aminopyridine complexes of the type [L*MnII(OTf)2] (where L* is 2,2′‐bipyrrolidine derived ligand, bearing trifluoroalkoxy and alkyl substituents) have been tested as catalysts in benzylic C−H hydroxylation of arylalkanes with H2O2 in fluorinated ethanols media. In 2,2,2‐trifuoroethanol, the yield of the target ethylbenzene oxidation product, chiral 1‐phenylethanol, reaches 45 %, which is much better than in the common solvent CH3CN (5‐6 %). The selectivity for 1‐phenylethanol formation increases in the following order: CH3CN<2‐fluoroethanol<2,2‐difluoroethanol<2,2,2‐trifuoroethanol, while 2,2‐difluoroethanol ensures the highest asymmetric induction in this series, affording chiral benzylic alcohols with up to 89 % ee. In trifluoroethanol, the observed primary kH/kD value of 2.3 has been measured for the oxidation of 1‐phenylethanol/α‐D‐1‐phenylethanol, which is similar to that in CH3CN (2.2). At the same time, depending on the solvent, CH3CN or 2,2,2‐trifuoroethanol, the oxidations of 1‐phenylethanol demonstrates drastically different linear free‐energy relationships; possible effect of the hydrogen‐bond donor (HBD) nature of CF3CH2OH is discussed in this context. Noticeably, it has been shown that by switching the absolute chirality ((S,S)− or (R,R)−) of the catalyst, the oxidation of complex substrate of natural origin, estrone acetate, can be diverted to predominant formation of either the tertiary C9‐alcohol or of the C6‐ketone, respectively.
Selective Targeting of the Zinc Finger Domain of HIV Nucleocapsid Protein NCp7 with Ruthenium Complexes
Authors: Sheng Yaping , Cao Kaiming , Li Ji , Hou Zhuanghao , Yuan Siming , Huang Guangming , Liu Hongke , Liu Yangzhong 
Published: October 2018

AbstractNucleocapsid protein 7 (NCp7) is an attractive target for anti‐HIV drug development. Here we found that ruthenium complexes are reactive to NCp7 and various Ru‐agents exhibit significantly different reactivity. Interestingly, the zinc‐finger domains of NCp7 also demonstrate different affinity to Ru‐complexes; the C‐terminal domain is much more reactive than the N‐terminal domain. Each zinc‐finger domain of NCp7 binds up to three Ru‐motifs, and the ruthenium binding causes zinc‐ejection from NCp7 and disrupts the protein folding. Therefore, ruthenium complexes interfere with the DNA binding of NCp7 and interrupt the protein function. The different reactivity of Ru‐agents suggests a feasible strategy for improving the targeting of NCp7 by ligand design. This work provides an insight into the mechanism of ruthenium complex with NCp7, and suggests more potential application of ruthenium drugs.
Fast‐Charging and High Volumetric Capacity Anode Based on Co3O4/CuO@TiO2 Composites for Lithium‐Ion Batteries
Authors: Kim Nam‐youl , Lee Gibaek , Choi Jinsub 
Published: October 2018

AbstractThis paper presents an investigation of anodic TiO2 nanotube arrays (TNAs), with a Co3O4/CuO coating, for lithium‐ion batteries (LIBs). The coated TNAs are investigated using various analytical techniques, with the results clearly suggesting that the molar ratio of Co3O4/CuO in the TiO2 nanotubes substantially influences its battery performance. In particular, a cobalt/copper molar ratio of 2:1 on the TNAs (Co2Cu1@TNAs) features the best LIBs anode performance, exhibiting high reversible capacity and enhanced cycling stability. Noticeably, Co2Cu1@TNAs achieve excellent rate capability even after quite a high current density of 20.0 A g−1 (≈25 C, where C corresponds to complete discharge in 1 h) and superior volumetric reversible capacity of ≈3330 mA h−1 cm−3. This value is approximately seven times higher than those of a graphite‐based anode. This outstanding performance is attributed to the synergistic effects of Co2Cu1@TNAs: 1) the structural advantage of TNAs, with their large amount of free space to accommodate the large volume expansion during Li+ insertion/extraction and 2) the optimized ratio of Co3O4 and CuO in the composite for improved capacity. In addition, no binder or conductive agent is used, which is partly responsible for the overall improved volumetric capacity and electrochemical performance.
Synthesis of Bis(arylethynyl)pyrrolo[3,2‐b]pyrroles and Effect of Intramolecular Charge Transfer on Their Photophysical Behavior
Authors: Tasior Mariusz , Clermont Guillaume , Blanchard‐Desce Mireille , Jacquemin Denis , Gryko Daniel T. 
Published: October 2018

Abstract3,6‐Bis(arylethynyl)pyrrolo[3,2‐b]pyrroles were synthesized through a two‐step procedure involving double direct alkynylation of the electron‐rich core followed by Sonogashira coupling. In comparison with the parent tetraarylo‐pyrrolo[3,2‐b]pyrroles and benzo‐fused pyrrolopyrroles, these new dyes showed moderately redshifted absorption. Almost all derivatives showed positive fluorescence solvatochromism and, for the first time, red‐emitting pyrrolopyrroles were obtained. Computational studies revealed that, in most cases, there is negligible change in the geometry between ground and excited states. Interestingly, there was a fundamental difference between pyrrolopyrroles possessing electron‐withdrawing substituents at positions 2 and 5 and their analogs lacking these substituents. The former dyes behaved like dipolar chromophores with the lowest excited state both one‐photon and two‐photon allowed, which corresponds to intramolecular charge transfer occurring along the branches perpendicular to the pyrrolopyrrole long axis. In compounds lacking electron‐withdrawing substituents at positions 2 and 5, intramolecular charge transfer took place along the long axis of pyrrolopyrrole and consequently the one‐photon transitions are not two‐photon allowed. Despite displaying quadrupolar core‐to‐peripheral intramolecular charge transfer, these derivatives showed two‐photon absorption cross sections in the NIR1 region comparable to tetraaryl‐pyrrolo[3,2‐b]pyrroles lacking π‐expansion (up to about 500 GM).
A model‐based flight qualities evaluation approach for civil aircraft
Authors: Zhong Lunlong , Qu Zhongjun , Mora‐Camino Félix 
Published: October 2018

SummaryEvaluation of flight qualities plays an important role in the design of a civil aircraft. An appropriate level of flight qualities will be the key to achieve the airworthiness certification. With the objective to provide an overall view of flight qualities evaluation for a civil aircraft, a model‐based approach is proposed. Some terms related to flight qualities are defined formally, and the model‐based flight qualities evaluation approach under different situations is formed and proposed. Two working conditions of actuators are considered in the evaluation of flight qualities. When no actuator fails, linearization is adopted to build a linear flight dynamics model for analyzing the main parameter of flight qualities. When some actuators fail, a new off‐line approach for handling qualities evaluation, which employs a controller that generates appropriate commands for healthy actuators, is proposed. The design of the controller is following the idea of classical predictive control technique, and a recurrent linear quadratic programming problem is formulated to find the maximum remaining maneuverability while not avoiding any constraints. Taking the rotational maneuver as a study example, a test‐bed for handling qualities evaluation is built. The numerical simulation results show the feasibility of proposed evaluation approach.
Risk propagation model based on social life and credit activities multilayers fusion network
Authors: Su Wangshu , Ren Jinzheng 
Published: October 2018

SummaryThe financial activities contribute the most important part to the current society, since they deliver key qualitative asset transformation works in terms of maturity, liquidity, and volume. Usually, we evaluate the level of development of a country by measuring the perfection of financial market. Meanwhile, the economy is driven by the flourishing SME (small and micro enterprise), which makes the Microfinance become an important driver currently. The rapid expansion of Microfinance industry increases the fragility and instability of the whole society as the internal defects and economic environment; this paper proposes a propagation model based on a multilayer network, to seek the effective and practical solution to promote a sustainable and healthy path for Microfinance industry. The study simulates a system crisis caused by bankruptcy of Microfinance organization. In addition, we run the model with the real financial data, and therefore, a risk control scheme is designed based on the systematic risk evaluation, we demonstrate that the risk propagation model can help understand the mechanism of risk propagation within the system, and we provide preventive measures and offer support for policy making.
Exploration of power consumption monitoring based on Internet of things
Authors: Chen Xi , Li Xin , Huang Zhenzhen 
Published: October 2018

SummaryTo solve the problem that the general power consumption monitoring system only realizes the total amount statistics of energy consumption information, but there is no statistical analysis of energy consumption in items and classification as well as energy saving control, a solution scheme to the power consumption monitoring and energy saving management system based on the Internet of things technology was proposed. Based on the research on the Internet of things architecture and combined with the actual functional requirements of the project, the four‐level architecture of the Internet of things was designed. The database technology was used to achieve an expert system for enterprise energy saving control based on relational model. Finally, according to the actual project, the engineering application of the system was introduced. The research showed that the system proposed could effectively monitor the power consumption of enterprises and analyze and manage energy consumption. To sum up, the power consumption can be well monitored by applying Internet of things.
System dynamics model for high‐speed railway operation safety supervision system based on evolutionary game theory
Authors: Li Kehong , Zhang Yadong , Guo Jin , Ge Xiaocheng , Su Yuebin 
Published: October 2018

SummaryIn view of the entrusted transportation management model of High‐Speed Railways (HSR) in China, some questions have been exposed during its operation (eg, the supervision and inspection power of HSR company is not fully implemented, the poor management of safety investments, and no incentive and restraint mechanism). Through the analysis of the current situation of the HSR safety supervision system, a system dynamics (SD) model that is composed of an HSR company, the State Railway Administration (SRA) and the commissioned Railways Bureau (RB) have been established based on evolutionary game theory. The behavioral characteristics and the steady state of the decision‐making of all parties involved in the system are proved by the combination of evolutionary game theory and a system dynamics simulation. The results show that, under the clear incentive and restraint mechanism assumptions, the safety supervision and inspection rate of the system has been effectively improved and the supervision power of HSR company has been implemented.
Acquisition of transgenic salt‐tolerant upland rice based on genetic algorithm and its resistance
Authors: Sun Yina , Zhu Fanhe , Dai Weimin 
Published: October 2018

SummaryGenetic algorithm is a search algorithm with “survival + detection” iterative process. Genetic algorithm is applied to study the gene optimization of rice yield increase to achieve the effect of increasing yield. The eco‐agricultural industrialization in China is still in its infancy, which requires technological innovation and institutional innovation of large‐scale eco‐economic optimization. This paper is devoted to the design of “three type” industrialization technology system of ecological agriculture resource saving, environment clean type, economic security type, and so on, and the construction of the new model of pollution abatement and recycling; the application of the transgenic technology is the development direction of advanced breeding technology, and it is the 4 investments of reducing pesticide, fertilizer, irrigation water, and labor force and the major technical countermeasures to promote the comparative benefit of grain. Super Hybrid Rice is a very good material for the transgenic technology, and the application of the transgenic technology is beneficial for super hybrid Rice to realize super High‐yield potential in large‐scale industrialized planting.