bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Dynamically Stabilized Single‐Nickel Electrocatalyst for Selective Reduction of Oxygen to Hydrogen Peroxide
Authors: Wang Tingting , Zeng Zhongming , Cao Lingyun , Li Zhe , Hu Xuefu , An Bing , Wang Cheng , Lin Wenbin 
Published: October 2018

AbstractOn‐location electrochemical generation of H2O2 is of great current interest. Herein, selective two‐electron reduction of O2 to H2O2 by a single [NiII(H2O)6]2+ cation that is dynamically associated with a negatively charged metal–organic layer (MOL) by hydrogen bonding and coulombic interactions is reported. In contrast, NiII centers covalently immobilized on the MOL reduce O2 to H2O in a four‐ electron process. Oxygen adsorption by [NiII(H2O)6]2+ followed by two‐electron reduction generates neutral [NiII(H2O)4(OH)(OOH)]0, which momentarily disconnects from the negatively charged MOL to avoid the injection of additional electrons. Release of H2O2 from [NiII(H2O)4(OH)(OOH)]0 regenerates [NiII(H2O)6]2+, which regains affinity to the MOL. Such dynamically associated NiII single‐metal electrocatalysts ensure high selectivity and represent a new strategy for generating selective catalysts for electrochemical production of important chemicals.
Tuning the Photophysical Properties of Symmetric Squarylium Dyes: Investigation on the Halogen Modulation Effects
Authors: Chen Weiben , Zhang Simeng , Dai Gaole , Chen Ying , Li Miao , Zhao Xiaoyu , Chen Yulan , Chen Long 
Published: October 2018

AbstractA series of symmetric squarylium dyes (SQDPA‐X) with different halogen (X=F, Cl, Br, I) substituents have been developed. The photophysical properties could be facilely tuned by the halogen modulation effects. The strategy of incorporating different halogen substitutions into AIE active luminogens enables a facile approach for exploring new intriguing organic fluorescent dyes.
12/10‐Helix in Mixed β‐Peptides Alternating Bicyclic and Acyclic β‐Amino Acids: Probing the Relationship between Bicyclic Side Chain and Helix Stability
Authors: Simon Matthieu , Milbeo Pierre , Liu Hongtao , André Christophe , Wenger Emmanuel , Martinez Jean , Amblard Muriel , Aubert Emmanuel , Legrand Baptiste , Calmès Monique 
Published: October 2018

Abstract12/10‐Helices constitute suitable templates that can be used to design original structures. Nevertheless, they often suffer from a weak stability in polar solvents because they exhibit a mixed hydrogen‐bond network resulting in a small macrodipole. In this work, stable and functionalizable 12/10‐helices were developed by alternating a highly constrained β2, 3, 3‐trisubstituted bicyclic amino acid (S)‐1‐aminobicyclo[2.2.2]octane‐2‐carboxylic acid ((S)‐ABOC) and an acyclic substituted β‐homologated proteinogenic amino acid (l‐β3‐hAA). Based on NMR spectroscopic analysis, it was shown that such mixed β‐peptides display well‐defined right‐handed 12/10‐helices in polar, apolar, and chaotropic solvents; that are, CD3OH, CDCl3, and [D6]DMSO, respectively. The stability of the hydrogen bonds forming the C10 and C12 pseudocycles as well as the benefit provided by the use of the constrained bicyclic ABOC versus typical acyclic β‐amino acids sequences when designing 12/10‐helix were investigated using NH/ND NMR exchange experiments and DFT calculations in various solvents. These studies showed that the β3‐hAA/(S)‐ABOC helix displayed a more stable hydrogen‐bond network through specific stabilization of the C10 pseudocycles involving the bridgehead NH of the ABOC bicyclic scaffold.
Three‐Stage Aromaticity Switching in Boron(III) and Phosphorus(V) N‐Fused p‐Benziporphyrin
Authors: Idec Aneta , Pawlicki Miłosz , Latos‐Grażyński Lechosław 
Published: October 2018

AbstractInsertion of PCl3 or PhBCl2 into 5,10,15,20‐tetraaryl‐p‐benziporphyrin prompted an intramolecular fusion affording anti‐aromatic phosphorus(V) and non‐aromatic boron(III) complexes of two N‐fused dihydro‐p‐benziporphyrin isomers. These macrocycles are classified as carbatriphyrin due to the common [CNN] coordination. A sequence of direct transformations, triggered by protonation or two‐electron redox processes, afforded a set of three mutually convertible N‐fused p‐benziporphyrinoids, with distinct anti‐aromatic, non‐aromatic, and aromatic spectroscopic features.
Disaccharide‐Based Anionic Amphiphiles as Potent Inhibitors of Lipopolysaccharide‐Induced Inflammation
Authors: Borio Alessio , Holgado Aurora , Garate Jose Antonio , Beyaert Rudi , Heine Holger , Zamyatina Alla 
Published: October 2018

AbstractDespite significant advances made in the last decade in the understanding of molecular mechanisms of sepsis and in the development of clinically relevant therapies, sepsis remains the leading cause of mortality in intensive care units with increasing incidence worldwide. Toll‐like receptor 4 (TLR4)—a transmembrane pattern‐recognition receptor responsible for propagating the immediate immune response to Gram‐negative bacterial infection—plays a central role in the pathogenesis of sepsis and chronic inflammation‐related disorders. TLR4 is complexed with the lipopolysaccharide (LPS)‐sensing protein myeloid differentiation‐2 (MD‐2) which represents a preferred target for establishing new anti‐inflammatory treatment strategies. Herein we report the development, facile synthesis, and biological evaluation of novel disaccharide‐based TLR4⋅MD‐2 antagonists with potent anti‐endotoxic activity at micromolar concentrations. A series of synthetic anionic glycolipids entailing amide‐linked β‐ketoacyl lipid residues was prepared in a straightforward manner by using a single orthogonally protected nonreducing diglucosamine scaffold. Suppression of the LPS‐induced release of interleukin‐6 and tumor necrosis factor was monitored and confirmed in human immune cells (MNC and THP1) and mouse macrophages. Structure–activity relationship studies and molecular dynamics simulations revealed the structural basis for the high‐affinity interaction between anionic glycolipids and MD‐2, and highlighted two compounds as leads for the development of potential anti‐inflammatory therapeutics.
Effect of PIN diode nonlinearity on decoupler circuits in magnetic resonance imaging surface coils
Authors: Ganti Aasrith , Ortiz Timothy , Wynn Tracy A. , Lin Jenshan , Duensing Randy 
Published: October 2018

AbstractDecoupler circuits are the primary circuits used to maintain safety and image quality in switching magnetic resonance imaging (MRI) surface coils. Decoupler circuits predominantly employ PIN diodes as a switch and their performance is most commonly calculated on the bench at DC and low power RF conditions. The effects of high‐power RF on PIN diode decoupler circuits are not usually measured. Experiments at high RF power levels reveal a decrease in the impedance of a typical decoupler as the PIN diode operates in the nonlinear region, effectively increasing the ON‐resistance of the PIN diode. The constraints that dictate the start of nonlinearities are studied, and ways to control these nonlinearities are presented. Furthermore, this work is used as a basis to extend and improve upon previous work that established figure of merit (FOM) for PIN diode decouplers. This study is a comprehensive guide for MRI coil designers who face the task of designing decoupler circuits for surface coils and are looking for tools to accurately estimate the dynamic impedance of the circuit over the course of an MRI sequence.
Renal cell carcinoma and pathologic nodal disease: Implications for American Joint Committee on Cancer staging
Authors: Yu Kai‐Jie , Keskin Sarp K. , Meissner Matthew A. , Petros Firas G. , Wang Xuemei , Borregales Leonardo D. , Gu Cindy , Tamboli Pheroze , Matin Surena F. , Wood Christopher G. , Karam Jose A. 
Published: October 2018

AbstractBackgroundLymph node (LN) metastases are associated with poor outcomes for patients with renal cell carcinoma (RCC). This study compared the survival outcomes of patients with stage III, node‐positive disease (pT123N1M0) and patients with stage III, node‐negative disease (pT3N0M0).MethodsA database of 4652 patients with RCC of any histological subtype treated with surgery at The University of Texas MD Anderson Cancer Center from 1993 to 2012 was retrospectively assessed. A total of 115 patients with pT123N1M0 disease, 274 patients with pT3N0M0 disease, and 523 patients with pT123N0/xM1 disease were included. Overall survival (OS) and cancer‐specific survival (CSS) were estimated and compared between each cohort.ResultsMedian OS and CSS times were significantly better for pT3N0M0 patients than pT123N1M0 patients (OS, 10.2 vs 2.4 years, P < .0001; CSS, not reached vs 2.8 years, P < .0001). Similar median OS and CSS times were noted for pT123N1M0 and pT123N0/xM1 patients (OS, 2.4 vs 2.4 years; P = .62; CSS, 2.8 vs 2.4 years; P = .10). In a multivariate analysis, tumor grade (hazard ratio [HR] for OS, 2.47; P < .0001; HR for CSS, 2.99; P < .0001) and pathologic LN involvement (HR for OS, 2.44; P < .0001; HR for CSS, 2.85; P < .0001) were associated with worse OS and CSS.ConclusionsAmong RCC patients classified with stage III disease, those with pT123N1M0 disease had significantly worse survival than those with pT3N0M0 disease. OS and CSS were similar for patients with pT123N1M0 disease and patients with pT123N0/xM1 disease (stage IV). If validated, these findings suggest that RCC patients with nodal disease should be reclassified as having stage IV disease.
Analyzing Integrin‐Dependent Adhesion
Authors: Mould A. Paul 
Published: October 2018

AbstractIn this unit, methods for the analysis of integrin‐dependent adhesion are described. Two major types of assays are commonly used for this analysis. The first are cell adhesion assays. A key application of this type of assay is to identify which integrin(s) mediate cell‐substrate interactions; a comprehensive list of antibodies suitable for this purpose is detailed. The second are solid‐phase assays in which purified integrins and integrin ligands are used. These assays can be used, e.g., to measure apparent affinities of integrins for different ligands and IC50 values of pharmacological inhibitors. Curr. Protoc. Cell Biol. 53:9.4.1‐9.4.17. © 2018 by John Wiley & Sons, Inc.
Cognitive decision engine based on binary particles swarm optimization with non‐linear decreasing inertia weight
Authors: Shi Chengzhuo , Dou Zheng , Sangaiah Arun Kumar , Wang Jin 
Published: October 2018

SummaryIn this paper, a multi‐carrier cognitive decision engine based on a binary particle swarm optimization with a non‐linear decreasing inertia‐weight (NDI‐BPSO) is presented. Our main goal is to solve the optimization problem of transmitter parameters in different wireless communication modes for cognitive radio systems (CRSs), especially for the transmitter in communication systems based on the environment sensing. In the new algorithm, the multi‐carrier cognitive decision engine based on an NDI‐BPSO algorithm can mitigate the local extreme points effectively and reduce the oscillation phenomenon in the process of optimization. We apply the NDI‐BPSO to the cognitive orthogonal frequency division multiplexing (OFDM) system to determine the best parameters to obtain good performances in different communication modes. The simulation results show that the proposed multi‐objective cognitive decision engine, which has a high fitness value and strong robustness for different communication modes, is better than the existing engines. The novel NDI‐BPSO algorithm achieves the objective of parameter optimization effectively.
A methodology for cost‐benefit analysis of information security technologies
Authors: Zeng Wen 
Published: October 2018

SummaryAlthough information security technologies (such as digital rights management products) have been proven effective and successful in protecting the confidentiality of sensitive information by providing access control, these technologies have not been widely adopted and used to their potential. One reason for this could be that cost and benefit of these products have not been analyzed in a systematic and quantitative manner to date. As a result, companies do not have an established procedure to evaluate the cost and benefit of implementing these products. In this document, the benefits of implementing a digital rights management product in enterprises are quantified using stochastic Petri nets models and are compared with the security needs of a corporation and potential costs incurred by the implementation process. An evaluating procedure for implementing these products is established. This procedure has the potential to be used to improve the ability of a corporation to make sensible security investment decisions.
Oxacycle‐Fused [1]Benzothieno[3,2‐b][1]benzothiophene Derivatives: Synthesis, Electronic Structure, Electrochemical Properties, Ionisation Potential, and Crystal Structure
Authors: Mohankumar Meera , Chattopadhyay Basab , Hadji Rachid , Sanguinet Lionel , Kennedy Alan R. , Lemaur Vincent , Cornil Jérôme , Fenwick Oliver , Samorì Paolo , Geerts Yves 
Published: October 2018

AbstractThe molecular properties of [1]benzothieno[3,2‐b][1]benzothiophene (BTBT) are vulnerable to structural modifications, which in turn are determined by the functionalization of the backbone. Hence versatile synthetic strategies are needed to discover the properties of this molecule. To address this, we have attempted heteroatom (oxygen) functionalization of BTBT by a concise and easily scalable synthesis. Fourfold hydroxy‐substituted BTBT is the key intermediate, from which the compounds 2,3,7,8‐bis(ethylenedioxy)‐[1]benzothieno[3,2‐b][1]benzothiophene and 2,3,7,8‐bis(methylenedioxy)‐[1]benzothieno[3,2‐b][1]benzothiophene are synthesized. The difference in ether functionalities on the BTBT scaffold influences the ionisation potential values substantially. The crystal structure reveals the transformation of the herringbone motif in bare BTBT towards π‐stacked columns in the newly synthesized derivatives. The results are further justified by the simulated HOMO levels of the model compound.
Thermal Conversion of MOF@MOF: Synthesis of an N‐Doped Carbon Material with Excellent ORR Performance
Authors: Zhang Mengxin , Wu Dan , Ye Yingxiang , Wu Ling , Yao Zizhu , Ma Xiuling , Wang Lihua , Zhang Zhangjing , Xiang Shengchang 
Published: October 2018

AbstractHere we propose a new strategy in which two isomorphic metal−organic frameworks (MOFs) [FJU‐40‐H (a) and FJU‐40‐NH2 (b)] are used to construct the core‐shell material MOF@MOF. This strategy based on nitrogen doping and specific surface has resulted in an N‐doped porous carbon (NPC) material in a one‐step thermal treatment in N2 atmosphere; this material displays high catalytic activity for the oxygen reduction reaction (ORR). The materials were analyzed by SEM, XPS, Raman, specific surface area, pore size distribution and electrochemical measurements. It was found that NPC derived from the core‐shell MOF@MOF can provide excellent catalytic ORR performance exceeding that of the single MOF. The onset potential is NPC‐b@a‐4h (−0.068 V)>NPC‐a@b‐4h (−0.075 V)>NPC‐a‐4h (−0.109 V)>NPC‐b‐4h (−0.113 V). Moreover, the results also show that the performance of NPC‐b@a (n=4.15) is better than that of NPC‐a@b (n=3.32), which means the different nitrogen content of ligands inside and outside of the core affects the ORR properties.
Enabling Reversible (De)Lithiation of Aluminum by using Bis(fluorosulfonyl)imide‐Based Electrolytes
Authors: Qin Bingsheng , Jeong Sangsik , Zhang Huang , Ulissi Ulderico , Vieira Carvalho Diogo , Varzi Alberto , Passerini Stefano 
Published: October 2018

AbstractAluminum, a cost‐effective and abundant metal capable of alloying with Li up to around 1000 mAh g−1, is a very appealing anode material for high energy density lithium‐ion batteries (LIBs). However, despite repeated efforts in the past three decades, reports presenting stable cycling performance are extremely rare. This study concerns recent findings on the highly reversible (de)lithiation of a micro‐sized Al anode (m‐Al) by using bis(fluorosulfonyl)imide (FSI)‐based electrolytes. By using this kind of electrolyte, m‐Al can deliver a specific capacity over 900 mAh g−1 and superior Coulombic efficiency (96.8 %) to traditional carbonate‐ and glyme‐based electrolytes (87.8 % and 88.1 %, respectively), which represents the best performance ever obtained for an Al anode without sophisticated structure design. The significantly improved electrochemical performance, which paves the way to realizing high‐performance Al‐based high energy density LIBs, can be attributed the peculiar solid–electrolyte interphase (SEI) formed by the FSI‐containing electrolyte.
Solar Photothermal Electrodes for Highly Efficient Microbial Energy Harvesting at Low Ambient Temperatures
Authors: Wang Yi , Zhou Lihua , Luo Xiaoshan , Zhang Yaping , Sun Jian , Ning Xun‐an , Yuan Yong 
Published: October 2018

AbstractTemperature is an important parameter for the performance of bioelectrochemical systems (BESs). Energy‐intensive bulk water heating has been usually employed to maintain a desired temperature for the BESs. This study concerns a proof‐of‐concept of a light‐to‐heat photothermal electrode for solar heating of a local electroactive biofilm in a BES for efficient microbial energy harvesting at low temperatures as a replacement for bulk water heating approaches. The photothermal electrode was prepared by coating Ti3C2Tx MXene sunlight absorber onto carbon felt. The as‐prepared photothermal electrode could efficiently raise the local temperature of the bioelectrode to approximately 30 °C from low bulk water temperatures (i.e., 10, 15, and 20 °C) under simulated sunlight illumination. As a result, highly efficient microbial energy could be harvested from the low‐temperature BES equipped with a photothermal electrode without bulk water heating. This study represents a new avenue for the design and fabrication of electrodes for temperature‐sensitive electrochemical and biological systems.
Modeling of CMS‐based nonuniform interconnects using FDTD technique
Authors: Kolanti Tulasi Naga Jyothi , Vemu Sulochana , Vobulapuram Ramesh Kumar , Karumuri Srinivasa Rao 
Published: October 2018

SummaryThis paper presents the finite‐difference time‐domain model of nonuniform interconnects including skin effect losses based on the current mode signaling (CMS). For accurate analysis, the nonlinear CMOS inverter is used as a driver for coupled nonuniform interconnects. These effects are incorporated in the proposed model using the modified alpha power law model. Additionally, high‐frequency losses are incorporated in the proposed model that further improves the accuracy. Using the proposed model, the performance of nonuniform interconnects is investigated using the CMS scheme. Time‐domain analysis model is derived from CMS nonuniform interconnects using finite‐difference time‐domain technique. Both inductive and capacitive couplings have been considered to incorporate coupling effects in interconnects. The efficiency of CMS interconnects is evaluated by comparing with conventional voltage mode signaling interconnects. The propagation delays and dynamic and functional cross talk effects at the far end of the coupled nonuniform interconnect are analyzed at the 32‐nm technology node. The proposed model results are validated using the standard HSPICE simulations.
cytometree: A binary tree algorithm for automatic gating in cytometry analysis
Authors: Commenges Daniel , Alkhassim Chariff , Gottardo Raphael , Hejblum Boris , Thiébaut Rodolphe 
Published: October 2018

AbstractFlow cytometry is a powerful technology that allows the high‐throughput quantification of dozens of surface and intracellular proteins at the single‐cell level. It has become the most widely used technology for immunophenotyping of cells over the past three decades. Due to the increasing complexity of cytometry experiments (more cells and more markers), traditional manual flow cytometry data analysis has become untenable due to its subjectivity and time‐consuming nature. We present a new unsupervised algorithm called “cytometree” to perform automated population identification (aka gating) in flow cytometry. cytometree is based on the construction of a binary tree, the nodes of which are subpopulations of cells. At each node, the marker distributions are modeled by mixtures of normal distributions. Node splitting is done according to a model selection procedure based on a normalized difference of Akaike information criteria between two competing models. Post‐processing of the tree structure and derived populations allows us to complete the annotation of the populations. The algorithm is shown to perform better than the state‐of‐the‐art unsupervised algorithms previously proposed on panels introduced by the Flow Cytometry: Critical Assessment of Population Identification Methods project. The algorithm is also applied to a T‐cell panel proposed by the Human Immunology Project Consortium (HIPC) program; it also outperforms the best unsupervised open‐source available algorithm while requiring the shortest computation time. © 2018 International Society for Advancement of Cytometry
Combining fluorescent cell barcoding and flow cytometry‐based phospho‐ERK1/2 detection at short time scales in adherent cells
Authors: Manohar Sonal , Shah Prachi , Biswas Sharmila , Mukadam Anam , Joshi Madhura , Viswanathan Ganesh 
Published: October 2018

AbstractDetection of levels of intracellular phospho‐proteins is key to analyzing the dynamics of signal transduction in cellular systems. Cell‐to‐cell variability in the form of differences in protein level in each cell affects signaling and is implicated in prognosis of many diseases. Quantitative analysis of such variability necessitate measuring the protein levels at single‐cell resolution. Single‐cell intracellular protein abundance detection in statistically significant number of adherent cells for short time sampling points post stimulation using classical flow cytometry (FCM) technique has thus far been a challenge due to the detrimental effects of cell detachment methods on the cellular machinery. We systematically show that cell suspension obtained by noninvasive temperature‐sensitive detachment of adherent cells is amenable to high‐throughput phospho‐ERK1/2 protein detection at single‐cell level using FCM in these short time sampling points. We demonstrate this on three adherent cell lines, viz., HeLa, A549, and MCF7, from distinct lineages having characteristically different elasticity at 37 °C. In particular, we use a right combination of multiplexing via fluorescent cell barcoding (FCB) and intracellular antibody staining for simultaneous detection of phospho‐ERK1/2 (pERK) stimulated by epidermal growth factor (EGF) in multiple samples. Based on systematic characterization using Alexa 350 dye, we arrive at two conditions that must be satisfied for correct implementation of FCB. Our study reveals that the temperature‐sensitive detachment of HeLa cells correctly captures the expected pronounced bimodal pERK distribution as an early response to EGF, which the enzymatic treatment methods fail to detect. © 2018 International Society for Advancement of Cytometry