bluuebunny/crossref_metadata_2025_split huggingface dataset:
Criteria to define interruption of transmission of human cytomegalovirus from organ donor to recipient
Authors: Baraniak Ilona Anna , Reeves Matthew B. , Griffiths Paul D. 
Published: November 2017

SummaryIn this review article, we consider results suggesting that transmission of human cytomegalovirus (HCMV) from a donor of a solid organ to an immunologically naive individual can be reduced. Two randomized controlled trials have been conducted recently, one of active immunization of recipients pretransplant and another of passive immunization with monoclonal antibodies specific for HCMV given at the time of transplant. Although the available data are encouraging—providing evidence of a reduction in the incidence of HCMV viraemia—they fall short of what would be required to prove definitively that transmission has been completely prevented. Here, we reflect on these studies and propose a set of 5 criteria, which, if satisfied in the future, could be taken as proof that active and/or passive immunization against HCMV effectively interrupts transmission of virus from the donor. We suggest that these criteria are considered when designing future randomized controlled trials.
A novel SON2‐based similarity index and its application for the rationalization of river water quality monitoring network
Authors: Antanasijević D. , Pocajt V. , Antanasijević J. , Perić‐Grujić A. , Ristić M. 
Published: November 2017

AbstractIn this paper, a novel self‐organizing network (SON) based similarity index and its application for the optimization of sampling locations in an existing river water quality monitoring network (WQMN) is presented. A rationalization of the River Danube WQMN on its stretch through Serbia was performed using the proposed SON2‐based similarity index. A high‐dimensional dataset was used, which is composed of 18 water quality parameters that were collected during the period 2002–2010 at 17 monitoring locations. The SON‐based seasonal classification that divides 12 months into the cold, moderate, and warm seasons was employed, whereas its second application on each seasonal class yielded subclasses that were used to compare the monitoring locations. The obtained SON2‐based similarity index can be utilized for analysing seasonal variations, as well as overall similarities among neighbouring sites. Based on the calculated similarities of locations and characteristics of the River Danube basin a rationalized WQMN, which uses 30% less monitoring sites, has been proposed.
To swim or to jump? Passage behaviour of a potamodromous cyprinid over an experimental broad‐crested weir
Authors: Amaral S.D. , Branco P. , Katopodis C. , Ferreira M.T. , Pinheiro A.N. , Santos J.M. 
Published: November 2017

AbstractPhysical stressors, such as man‐made obstacles, are considered one of the main causes that negatively affect freshwater fish. Even small weirs may impact fish populations, including potamodromous cyprinids, by partially or totally blocking upstream migratory movements. Some studies have addressed the effect of key hydraulic parameters on upstream movements past small weirs, but little is known on how these parameters interact to induce swimming or jumping behaviour in negotiating such obstacles. This study aims to evaluate the passage behaviour (swimming vs. jumping) of Iberian barbel (Luciobarbus bocagei), a potamodromous species, over an experimental small broad‐crested weir, considering the effect of different plunge pool depths (D), waterfall heights (H), and weir discharges (Q). Results revealed that passage behaviour was highly dependent on combinations of plunge pool depths and waterfall heights. Barbel navigated most configurations by swimming (overall outcomes: 81.5% swimming vs. 18.5% jumping), except the ones with the higher waterfall heights (25 cm) tested. Therefore, higher waterfalls proved to be preponderant in the switching of passage behaviour from swimming to jumping. Regarding the discharge over the 1‐m‐wide weir (overall outcomes: 85% swimming vs. 15% jumping), contrary to what was expected, there was no evidence that passage behaviour was discharge‐related, for the range of discharges tested (25–100 L/s). These results are useful to identify potential migration obstacles and should be taken into consideration in river restoration projects and when designing fishways for potamodromous cyprinids.
Design, Synthesis and Biological Evaluation of Novel 2‐Phenylthiazole Derivatives for the Treatment of Alzheimer's Disease
Authors: Shi Da‐Hua , Tang Zong‐ming , Liu Yu‐Wei , Harjani Jitendra R. , Zhu Hui‐Long , Ma Xiao‐Dong , Song Xiao‐Kai , Liu Wei‐Wei , Lu Chen , Yang Wen‐Tao , Song Meng‐Qiu 
Published: November 2017

AbstractA new series of 2‐phenylthiazole derivatives were designed, synthesized, characterized and evaluated as potential candidates to treat Alzheimer's disease. Most of these compounds exhibited significant acetylcholinesterase inhibitory activities. Among them, compound ethyl 2‐[4‐(4‐{[2‐(pyrrolidin‐1‐yl)ethyl]amino}butoxy)phenyl]thiazole‐4‐carboxylate (5 b–8) exhibited the best acetylcholinesterase inhibition activity with IC50 values of 4.8 μM. Moreover, the compound ethyl 2‐(4‐{[5‐(cyclohexylamino)pentyl]oxy}phenyl)thiazole‐4‐carboxylate (5 c–6) had the best butyrylcholinesterase inhibitory activity, with an IC50 value of 0.16 μM. The docking studies demonstrated that compound 5 b–8 could interact with both the catalytic active site (CAS) and the peripheral anionic site (PAS) of acetylcholinesterase. Compound 5 b–8 also showed biometal chelating abilities. These attributes highlight 5 b–8 as a promising candidate for further studies directed to the development of novel drugs against Alzheimer's disease.
A Combined Experimental and Theoretical Study to Explore the Importance of σ‐Hole Carbon Bonding Interactions in Stabilizing Molecular Assemblies
Authors: Roy Sourav , Drew Michael G. B. , Bauzá Antonio , Frontera Antonio , Chattopadhyay Shouvik 
Published: November 2017

AbstractTwo new hetero‐dinuclear nickel(II)/cadmium(II) complexes, [(DMF)1.78(DMSO)0.22NiL1Cd(Cl)(NCS)] (1) and [(DMF)(H2O)NiL2CdCl2]⋅DMF (2) with compartmental Schiff bases, H2L1=N,N′‐bis(3‐ethoxysalicylidene)‐2,2‐dimethylpropane‐1,3‐diamine and H2L2 = N,N′‐bis(5‐bromo‐3‐methoxysalicylidene)‐2,2‐dimethylpropane‐1,3‐diamine, have been prepared and characterized by single crystal X‐ray diffraction analysis. In each complex, nickel(II) and cadmium(II) are placed in the N2O2 and O2O2' compartments of the Schiff base respectively. Both complexes form interesting supramolecular assemblies in the solid state. Energy associated with conventional C−H⋅⋅⋅π interaction in complex 1 and unconventional σ‐hole carbon bonding interaction in complex 2 in the solid state of these complexes are estimated by DFT calculation and characterized by Natural Bond Orbital analysis and molecular electrostatic potential surface analysis as well.
Guanidine Cellulose for Biocompatible Nanoparticles Phase Transfer
Authors: Xie Haibo , Cao Xuefeng , Shan Shuang , Chen Qin , Xu Qinqin , Guo Yuanlong , Tan Mingqian 
Published: November 2017

AbstractThe introduction of 1, 1, 3, 3‐tetramethyl guanidine groups with degree of substitution of 0.18 into cellulose can tailor the solubility of cellulose in water, which leads to a general and robust development of biopolymer‐based biodegradable and biocompatible material for phase‐transfer of hydrophobic biocompatible nanoparticles to aqueous solution. Fourier transform infrared spectroscopy shows the successful ligand exchange between small molecules and 1, 1, 3, 3‐tetramethyl guanidine functionalized cellulose during the phase transfer. Transmission electron microscope images of the original and transferred nanoparticles confirm the success of the phase transfer without obvious agglomeration occurred. The transferred nanoparticles possessed their own unique properties such as surface plasmon resonance, magnetism, up‐conversion fluorescence.
Nested identities as cognitive drivers of strategy
Authors: Irwin Jennifer , Lahneman Brooke , Parmigiani Anne 
Published: November 2017

Research Summary: Organizations face tensions to conform to industry norms for legitimacy yet differentiate for competitive advantage when implementing strategies. We suggest this tension is due to and resolved through organizations’ cognitive negotiations of multiple levels of identity. Through an inductive study in the recreational vehicle industry, we find that organizations concurrently draw on identities at the organizational, industry, and strategic group levels to formulate and enact specific competitive actions. Specifically, we find that organizational identity relates to decisions on product offerings; industry identity relates to downstream strategy; and strategic group identity relates to upstream strategy, firm boundaries, and expansion mode. Our findings highlight the importance of strategic group identity and inform a grounded model describing how organizations draw upon different levels of identity to influence strategy.
Managerial Summary: Many managers experience tensions of differentiating their firms’ competitive actions from rivals, while conforming with industry norms and practices. In this article, we argue that a manager can navigate these tensions by understanding their firm, strategic group, and industry identities and how these identities interrelate. Through a qualitative case study of the U.S. recreational vehicle industry, we show that each level of identity influences different competitive actions, with firm identity connected to product offerings, industry identity related to managing downstream distribution, and strategic group identity related to firm boundary and acquisition strategies. Overall, strategic group identity is the most critical for managers as this level filters how they view competitors and provides the rules of competition.
Molten Salt Assisted Self‐Assembly: Synthesis of Mesoporous LiCoO2 and LiMn2O4 Thin Films and Investigation of Electrocatalytic Water Oxidation Performance of Lithium Cobaltate
Authors: Saat Gülbahar , Balci Fadime Mert , Alsaç Elif Pınar , Karadas Ferdi , Dag Ömer 
Published: November 2017

AbstractMesoporous thin films of transition metal lithiates (TML) belong to an important group of materials for the advancement of electrochemical systems. This study demonstrates a simple one pot method to synthesize the first examples of mesoporous LiCoO2 and LiMn2O4 thin films. Molten salt assisted self‐assembly can be used to establish an easy route to produce mesoporous TML thin films. The salts (LiNO3 and [Co(H2O)6](NO3)2 or [Mn(H2O)4](NO3)2) and two surfactants (10‐lauryl ether and cethyltrimethylammonium bromide (CTAB) or cethyltrimethylammonium nitrate (CTAN)) form stable liquid crystalline mesophases. The charged surfactant is needed for the assembly of the necessary amount of salt in the hydrophilic domains of the mesophase, which produces stable metal lithiate pore‐walls upon calcination. The films have a large pore size with a high surface area that can be increased up to 82 m2 g−1. The method described can be adopted to synthesize other metal oxides and metal lithiates. The mesoporous thin films of LiCoO2 show promising performance as water oxidation catalysts under pH 7 and 14 conditions. The electrodes, prepared using CTAN as the cosurfactant, display the lowest overpotentials in the literature among other LiCoO2 systems, as low as 376 mV at 10 mA cm–2 and 282 mV at 1 mA cm–2.
Scalable Fabrication of Highly Active and Durable Membrane Electrodes toward Water Oxidation
Authors: Li Yu , Chen Shuangming , Xi Dawei , Bo Yanan , Long Ran , Wang Chengming , Song Li , Xiong Yujie 
Published: November 2017

AbstractThe electrocatalytic oxygen evolution reaction (OER) is a highly important reaction that requires a relatively high overpotential and determines the rate of water splitting—a process for producing hydrogen. The overall OER performance is often largely limited by uncontrollable interface when active catalysts are loaded on conductive supports, for which polymer binders are widely used, but inevitably block species transportation channels. Here, a scalable fabrication approach to freestanding graphitized carbon nanofiber networks is reported, which provides abundant sites for in situ growing Fe/Ni catalysts with the improved interface. The fabricated hybrid membrane exhibits high activity and durability toward OER, with an overpotential of 280 mV at a geometrical current density of 10 mA cm−2 and a Tafel slope of 30 mV dec−1 in alkaline medium. As implemented as a freestanding electrode, the 3D hybrid structure achieves further enhanced OER performance with an overpotential down to 215 mV at 10 mA cm−2. This work provides fresh insights into rationally fabricating OER electrocatalysts from the angle of electrode design.
Dual Roles of Protein as a Template and a Sulfur Provider: A General Approach to Metal Sulfides for Efficient Photothermal Therapy of Cancer
Authors: Sheng Jianping , Wang Liqiang , Han Yajing , Chen Wansong , Liu Hong , Zhang Min , Deng Liu , Liu You‐Nian 
Published: November 2017

AbstractFabrication of clinically translatable nanoparticles (NPs) as photothermal therapy (PTT) agents against cancer is becoming increasingly desirable, but still challenging, especially in facile and controllable synthesis of biocompatible NPs with high photothermal efficiency. A new strategy which uses protein as both a template and a sulfur provider is proposed for facile, cost‐effective, and large‐scale construction of biocompatible metal sulfide NPs with controlled structure and high photothermal efficiency. Upon mixing proteins and metal ions under alkaline conditions, the metal ions can be rapidly coordinated via a biuret‐reaction like process. In the presence of alkali, the inert disulfide bonds of S‐rich proteins can be activated to react with metal ions and generate metal sulfide NPs under gentle conditions. As a template, the protein can confine and regulate the nucleation and growth of the metal sulfide NPs within the protein formed cavities. Thus, the obtained metal sulfides such as Ag2S, Bi2S3, CdS, and CuS NPs are all with small size and coated with proteins, affording them biocompatible surfaces. As a model material, CuS NPs are evaluated as a PTT agent for cancer treatment. They exhibit high photothermal efficiency, high stability, water solubility, and good biocompatibility, making them an excellent PTT agent against tumors. This work paves a new avenue toward the synthesis of structure‐controlled and biocompatible metal sulfide NPs, which can find wide applications in biomedical fields.
Internal quality assurance for external contributions in GitHub: An empirical investigation
Authors: Lu Yao , Mao Xinjun , Li Zude , Zhang Yang , Wang Tao , Yin Gang 
Published: November 2017

AbstractFor popular open‐source software projects, there are always a large number of worldwide developers who have been glued to making code contributions, while most of these developers play the role of casual contributors because of their very limited code commits. The frequent turnover of such a group of developers and the wide variations in their coding experiences challenge the project management on code and quality. This paper aims to investigate the status quo of internal quality assurance for external contributions in social coding sites. We first conducted a case study of 21 popular GitHub projects to estimate the code quality of the casual contributors. The quantitative results show that the casual contributors introduced greater quantity and severity of code quality issues than the main contributors; the developers who contribute to different projects as main and casual contributors did not perform significantly differently in terms of their code quality. On the basis of these findings, we further conducted a survey of 81 developers on GitHub to understand their practices on internal quality assurance. The qualitative results expose some limitations of present internal quality control for external contributions in GitHub. Finally, we discuss an alternative quality management paradigm: Continuous Inspection for industrial practices.
Recent Progress in Oxygen Electrocatalysts for Zinc–Air Batteries
Authors: Yang Dongjiang , Zhang Lijie , Yan Xuecheng , Yao Xiangdong 
Published: November 2017

AbstractZinc–air batteries (ZABs) have attracted extensive attention due to their remarkable high theoretical energy output. They represent one of the most promising future power sources. However, many barriers restrict their application on a large scale. One of the main challenges is the sluggish rates of the oxygen‐reduction reaction (ORR) and oxygen‐evolution reaction (OER), which govern the discharging and charging processes of the battery, respectively. Here, recent advances related to oxygen electrocatalyst materials for ZABs are discussed. Detailed discussions will focus on unifunctional ORR electrocatalysts and bifunctional ORR and OER electrocatalysts. Pt‐based nanomaterials, as the best ORR electrocatalysts, possess the virtue of high activity, but have the disadvantages of high cost, scarcity, and poor stability. Thus, materials based on transition metals (alloys, metal oxides, metal nitrides, and spinel oxides) and metal‐free materials are widely investigated as nonprecious ORR catalysts owing to their promising catalytic activities. As for bifunctional ORR and OER electrocatalysts, the following two categories are introduced: (i) metal‐based materials, including single metal/metal‐oxides‐based materials and mixed‐metal/metal‐oxides‐based materials; and (ii) metal‐free materials. Finally, perspectives on the continuous research and limitation of the current ZAB technology are provided.
General and Scalable Solid‐State Synthesis of 2D MPS3 (M = Fe, Co, Ni) Nanosheets and Tuning Their Li/Na Storage Properties
Authors: Liang Qinghua , Zheng Yun , Du Chengfeng , Luo Yubo , Zhang Jianli , Li Bing , Zong Yun , Yan Qingyu 
Published: November 2017

AbstractThe scalable preparation of 2D nanomaterials is challenging and highly desirable for fundamental interest and practical applications. Herein, an efficient solid‐state method is developed for producing emerging 2D ternary layered metal phosphorus trichalcogenide (MPS3, M = Fe, Co, Ni) nanosheets on a large scale. The high‐quality MPS3 single‐crystal nanosheets are exposed with (00l) facets and have an average lateral size of ≈200 nm and an average thickness of ≈18 nm. Moreover, their interlayer spacing can be expanded by intercalating propylamine at room temperature. For Li/Na storage applications, such MPS3 nanosheets can achieve: i) high specific capacity owing to the intrinsic composition, realizing a theoretical specific capacity higher than the corresponding metal oxides, and ii) superior rate capability due to the large extrinsic pseudocapacitive contribution from surface redox reactions. Remarkably, the propylamine‐intercalated samples show improved Li/Na storage performance due to the better electrical conductivity and enlarged interlayer distance to allow easier ion accessibility and faster ion diffusion. Impressively, the Na‐ion batteries based on the intercalated NiPS3 nanosheets deliver 1090 and 536 mA h g−1 at 0.05 and 5.0 A g−1, respectively. This work paves the way for developing MPS3 nanosheets for energy storage and conversion, catalysis, and so on.
Antitumor and anti‐metastatic mechanisms of Rhizoma paridis saponins in Lewis mice
Authors: Man Shuli , Chai Hongyan , Cui Jingxia , Yao Jingwen , Ma Long , Gao Wenyuan 
Published: November 2017

AbstractLung cancer is one of the most common causes of death in the world. Rhizoma paridis saponins (RPS) have been found to show inhibition of pulmonary adenoma in previous research. However, the detailed mechanisms of RPS from a holistic view have not been established. In this study, Lewis pulmonary adenoma mice were successfully established to analyze the pathways involved in RPS intervening tumor formation and progression. As a result, RPS inhibited levels of cytokines or receptors such as VEGFD, VEGFR3, RAGE, IL6R, IL17BR, and CXCL16 which were regarded as the initiators induced tumor cell proliferation, adhesion, angiogenesis, and invasion. Meanwhile, RPS raised the content of SOD and CAT enzymes and thereby inhibited the aberrantly active NF‐κB, and phosphorylation of PI3K/Akt and MAPK (including p38, Erk1/2, and JNK) signaling pathways. Soon after, RPS changed mRNA expression of nuclear factors containing NF‐κB, HIF‐1A, STAT3, and Jun, and consequentially suppressed the expression of angiogenesis, lymphangiogenesis, adhesion, inflammation, and invasion enzymes. In conclusion, this research provided a holistic view to understand the multi‐target antitumor mechanisms of RPS which promoted the application of RPS in the future.
The sensing mechanism studies of the fluorescent probes with electronically excited state calculations
Authors: Li Guang‐Yue , Han Ke‐Li 
Published: November 2017

Recent research has indicated that fluorescent probes have tremendous potential for the selective detection of chemical and biological species. Over the past decade, researchers have proposed a series of fluorescence‐based sensing mechanisms of such probes by the calculation of their electronic excited states. Investigations of sensing mechanisms have been based on deep insights into the interactions between probe molecules and their target species, as well as their fluorescence properties. Advances in calculation methods, modeling software, and computational power have enabled researchers to use excited‐state theoretical calculations to reproduce experimental fluorescence phenomena and then provide molecular‐level explanations thereof. In this advanced review, we describe the evolution of theoretical studies on excited‐state sensing mechanisms for fluorescent probes that respond to target species. Focusing on calculation methods that facilitate investigation of the photophysical properties and excited‐state dynamics of probes, we emphasize sensing mechanisms mainly reported by our group. Most of these studies have been supported by theoretical predictions based on time‐dependent density functional theory. For this most popular excited‐state calculation method, vertical excitation energy, excited‐state geometrical optimization and a scan of the excited‐state potential energy surface should be noted in the calculation of electronic and molecular differences between the excited‐state probe and its reaction product with the target analyte. These state‐of‐the‐art calculations are of great importance for unraveling details of fluorescence‐based sensing mechanisms, including photochemical reactions (such as twist intramolecular charge transfer and excited‐state proton transfer) and excited‐state electronic processes (such as intramolecular charge transfer and photoinduced electron transfer). These studies have generated new and inspirational mechanistic proposals and have provided a systematic approach for the development of efficient fluorescent sensors. WIREs Comput Mol Sci 2018, 8:e1351. doi: 10.1002/wcms.1351This article is categorized under:

Structure and Mechanism > Computational Biochemistry and Biophysics
Theoretical and Physical Chemistry > Spectroscopy