bluuebunny/crossref_metadata_2025_split huggingface dataset:
Multilevel Coupled Hybrids Made of Porous Cobalt Oxides and Graphene for High‐Performance Lithium Storage
Authors: Hu Chao , Yang Juan , Yu Chang , Li Shaofeng , Mu Ye , Bai Silin , Wang Man , Liang Sucen , Qiu Jieshan 
Published: January 2019

AbstractMetal oxide coupling with carbon materials holds great promise for lithium storage. Herein, multilevel coupled cobalt oxide–graphene (CoO/CO3O4–G) hybrids were fabricated by in situ assembly of Co hydroxide precursors and a calcination process. The oxygen‐containing functional groups on the graphene surface act as bridging sites and tend to bond with Co2+ ions, effectively modifying the morphology and structure of the Co species. The as‐obtained CoO/CO3O4–G hybrids are composed of unique CoO/CO3O4 porous nanoparticles uniformly anchored on graphene sheets, as confirmed by a series of characterization analyses. Benefiting from these structural characteristics, the CoO/CO3O4–G hybrids used as an anode can deliver a high capacity of about 1080 mA h g−1 reversibly at 0.1 Ag−1 in the voltage range between 3.0 and 0.01 V, which is remarkably superior to that of the CoO hexagonal sheets in the absence of graphene. The high reversible capacity of the CoO/CO3O4–G hybrids is retained at elevated current densities, for example, a capacity of approximately 455 mA h g−1 can be achieved at a current rate as high as 4 A g−1, indicative of its potential for high‐performance lithium‐ion batteries.
Direct Carboxylation of Electron‐Rich Heteroarenes Promoted by LiO‐tBu with CsF and [18]Crown‐6
Authors: Shigeno Masanori , Hanasaka Kazuya , Sasaki Keita , Nozawa‐Kumada Kanako , Kondo Yoshinori 
Published: January 2019

AbstractWe herein demonstrate that the combination of LiO‐tBu, CsF, and [18]crown‐6 efficiently promotes the direct C−H carboxylation of electron‐rich heteroarenes (benzothiophene, thiophene, benzofuran, and furan derivatives). A variety of functional groups, including methyl, methoxy, halo, cyano, amide, and keto moieties, are compatible with this system. The reaction proceeds via the formation of a tert‐butyl carbonate species.
Copper‐Catalyzed Electrophilic Thiolation of Organozinc Halides by Using N‐Thiophthalimides Leading to Polyfunctional Thioethers
Authors: Graßl Simon , Hamze Clémence , Koller Thaddäus J. , Knochel Paul 
Published: January 2019

Abstract(Hetero)aryl, benzylic, and alkyl zinc halides were thiolated with N‐thiophthalimides at 25 °C within 1 h in the presence of 5–10 % Cu(OAc)2⋅H2O to furnish the corresponding polyfunctionalized thioethers in good yields. This electrophilic thiolation was extended to the introduction of trifluoromethylthio (SCF3), thiocyanate (SCN), and selenophenyl (SePh) groups. The utility of this method was shown in a seven‐step synthesis of a potent cathepsin D inhibitor in 34 % overall yield.
Exploration of New Birefringent Crystals in Bismuth d0 Transition Metal Selenites
Authors: Gong Ya‐Ping , Hu Chun‐Li , Kong Fang , Mao Jiang‐Gao 
Published: January 2019

AbstractThe first examples of bismuth fluoride selenites with d0‐TM/TeVI polyhedrons, namely, Bi4TiO2F4(SeO3)4 (1), Bi4NbO3F3(SeO3)4 (2), Bi4TeO4F2(TeO3)2(SeO3)2 (3), Bi2F2(MoO4)(SeO3) (4) and Bi2ZrO2F2(SeO3)2 (5) have been successfully synthesized under hydrothermal reactions by aliovalent substitution. The five new compounds feature three different types of structures. Compounds 1–3, containing TiIV, NbV and TeVI respectively, are isostructural, exhibiting a new 3D framework composed of a 3D bismuth oxyfluoride architecture, with intersecting tunnels occupied by d0‐TM/TeVI octahedrons and selenite/tellurite groups. Interestingly, compound Bi4TeO4F2(TeO3)2(SeO3)2 (3) is the first structure containing SeIV and mixed‐valent TeIV/TeVI cations simultaneously. Compound 4 features a new 3D structure formed by a 3D bismuth oxyfluoride network with MoO4 tetrahedrons and selenites groups imbedded in the 1D tunnels. Compound 5 displays a novel pillar‐layered 3D open framework, consisting of 2D bismuth oxide layers bridged by the [ZrO2F2(SeO3)2]6− polyanions. Theoretical calculations revealed that the five compounds displayed very strong birefringence. The birefringence values of compounds 1–3, especially, are above 0.19 at 1064 nm, which are larger than the mineral calcite. Based on the structure and property analysis, it was found that the asymmetric SeO3 groups (and TeO3 in compound 3) displayed the largest anisotropy, compared with the bismuth cations and the d0‐TM/Te polyhedra, which is beneficial to the birefringence.
Thermodynamic and kinetic performance of an S2O82‐/CaO2 solution for NO removal
Authors: Wang Zhiping , Zhang Yanguo , Tan Zhongchao , Li Qinghai 
Published: January 2019

AbstractThe thermodynamic and kinetic performance of the oxidative absorbent S2O82‐/CaO2 for NO removal was evaluated. The results indicated that the optimal molar ratio of Na2S2O8/CaO2 was 0.1:0.2 mol/mol. The experimental results showed that the combination of Na2S2O8 and CaO2 had a positive synergistic effect on the NO removal. The results of the thermodynamic calculation verified that the use of the oxidative absorbent S2O82‐/CaO2 was effective for NO removal. The results of the kinetic study showed that the NO reaction was a 1.1‐order equation and the average activation energy of the reaction was 53.0 kJ/mol. The oxidative absorbent S2O82‐/CaO2 shows potential for the simultaneous wet removal of NO and SO2 with high efficiency, no secondary pollution, and low cost.
New efficient tool diagnoses asphaltene stability: Utilization of refractive index
Authors: Ahmadi Mohammad Ali , Zendehboudi Sohrab 
Published: January 2019

AbstractAsphaltene precipitation/deposition is considered a critical issue in the petroleum industry as it causes damages and blockage in various process equipment (e.g., pipe, pump, and vessel) and porous formation. To prevent this obstruction, it seems necessary to attain a reasonable estimate of the precipitation time, in other words, the time of asphaltene stability in crude oils. The gene expression programming (GEP) technique is utilized in this study to develop a correlation for the prediction of this important parameter using real refractive index (RI) data. The independent variables considered for the development of the correlation are the composition of aromatics, saturates, and resins in weight percentage. The predicted outputs show a better match with the real data, compared to the results obtained from other available predictive tools and/or correlations. Besides its simplicity, the developed correlation can have a broad range of applications in oil production plants in order to ensure that proper strategies are determined to avoid asphaltene precipitation/deposition throughout various stages of oil production and processing.
Production‐limited delayed detached eddy simulation of turbulent flow and heat transfer
Authors: Ding Puxian , Wang Shuangfeng , Chen Kai 
Published: January 2019

AbstractA hybrid RANS/LES model based on the BSL k‐ω RANS model, termed the production‐limited delayed detached eddy simulation (PL‐DDES) model, was developed for simulating turbulent flow and heat transfer. The PL‐DDES model was obtained by limiting the production of turbulence kinetic energy with the proposed control resolution function. The PL‐DDES model was tested by simulating turbulent flow and heat transfer in a plane and a wavy channel with different thermal boundary conditions and different Reynolds numbers in this paper. The results of the plane channel flow show that the performance of the PL‐DDES model is better than that of the improved delayed detached eddy simulation (IDDES) model for alleviating the log‐law layer mismatch (LLM) issue. With a much coarser grid resolution, although the resolved turbulent scales decrease, the time‐averaged velocity and temperature are successfully predicted. The capability of predicting turbulent flow and heat transfer over a wavy wall manifests, and the PL‐DDES model has considerable potential in industrial and environmental applications.
Wheel‐Shape Heterometallic Ti10M2‐oxo Clusters (M = Ni, Co) with Effective Visible Light Absorption
Authors: Liu Xiao‐Xue , Fang Wei‐Hui , Chen Shumei , Zhang Lei , Zhang Jian 
Published: January 2019

Summary of main observation and conclusionIn order to make visible light harvest crystalline polyoxo‐titanium clusters, we initially used transition metal pivalate complexes in this system and prepared successfully two isostructural compounds, [Ti10M2(PPO)4(μ3‐O)8(μ2‐O)4(PA)12(MeCN)4]·4HPA (PPOA = phenylphosphonic acid, HPA = propionic acid, M = Ni, PTC‐52‐Ni; M = Co PTC‐52‐Co). Single‐crystal X‐ray diffraction study showed that these two complexes possessed wheel‐shape heterometallic Ti10M2‐oxo clusters. The absorption bands of these two compounds shift effectively toward the visible‐light region. Furthermore, their photocurrent response has also been studied.
Inside Cover: Biomimetic Chiral Pyridoxal and Pyridoxamine Catalysts (Chin. J. Chem. 2/2019)
Authors: Chen Jianfeng , Liu Yong Ethan , Gong Xing , Shi Limin , Zhao Baoguo 
Published: January 2019

The inside cover picture shows the development of chiral pyridoxal and pyridoxamine catalysts by mimicking vitamin B6‐dependent enzymes. These chiral pyridoxals and pyridoxamines displayed extraordinary catalytic performances in asymmetric biomimetic transamination and Mannich reaction, to give various chiral α‐amino acids and α,β‐diamino acid esters in good yields with excellent diastero‐ and/or enantioselectivities. The research has provided some useful information for further applications of the catalytic power of vitamin B6 in the area of asymmetric cayalysis. More details are discussed in the article by Zhao et al. on page 103–112.
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Back Cover: Can Synthetic All‐Metal Cluster Compound Support Multifold (π and σ) Aromaticity and d‐Orbital Aromaticity? (Chin. J. Chem. 2/2019)
Authors: You Xue‐Rui , Zhai Hua‐Jin 
Published: January 2019

The back cover picture shows Steely alien is invading a lilac garden. A synthetic all‐metal cluster compound is shown computationally to possess five‐fold (π and σ) aromaticity, including d‐orbital aromaticity. The bottleable [Pd3Sn8Bi6]4 cluster features a core‐shell shape akin to an unidentified flying object (UFO), in which a triangular Pd3 core is largely floating inside a Sn8Bi6 shell. Electron clouds in the system are delocalized over the Pd3 core, trigonal pyramid Sn4 caps, peripheral Bi6 ring, and roof‐like Sn2Bi2 walls, whose electron‐counting follows the (4n + 2) Hückel rule. The finding is beyond imagination and should help appease debate on the nature of aromaticity in the community. More details are discussed in the article by Zhai et al. on page 126–130.
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Highly Selective and Potent Human β‐Secretase 2 (BACE2) Inhibitors against Type 2 Diabetes: Design, Synthesis, X‐ray Structure and Structure–Activity Relationship Studies
Authors: Ghosh Arun K. , Brindisi Margherita , Yen Yu‐Chen , Lendy Emma K. , Kovela Satish , Cárdenas Emilio Leal , Reddy Bhavanam Sekhara , Rao Kalapala Venketeswara , Downs Deborah , Huang Xiangping , Tang Jordan , Mesecar Andrew D. 
Published: January 2019

AbstractHerein we present the design, synthesis, and biological evaluation of potent and highly selective β‐secretase 2 (memapsin 1, beta‐site amyloid precursor protein cleaving enzyme 2, or BACE 2) inhibitors. BACE2 has been recognized as an exciting new target for type 2 diabetes. The X‐ray structure of BACE1 bound to inhibitor 2 a {N3‐[(1S,2R)‐1‐benzyl‐2‐hydroxy‐3‐[[(1S,2S)‐2‐hydroxy‐1‐(isobutylcarbamoyl)propyl]amino]propyl]‐5‐[methyl(methylsulfonyl)amino]‐N1‐[(1R)‐1‐phenylpropyl]benzene‐1,3‐dicarboxamide} containing a hydroxyethylamine isostere was determined. Based on this structure, a computational docking study was performed which led to inhibitor 2 a‐bound BACE2 models. These were used to optimize the potency and selectivity of inhibitors. A systematic structure–activity relationship study led to the identification of determinants of the inhibitors’ potency and selectivity toward the BACE2 enzyme. Inhibitors 2 d [N3‐[(1S,2R)‐1‐benzyl‐2‐hydroxy‐3‐[[(1S,2S)‐2‐hydroxy‐1‐(isobutylcarbamoyl)pentyl]amino]propyl]‐N1‐methyl‐N1‐[(1R)‐1‐phenylpropyl]benzene‐1,3‐dicarboxamide; Ki=0.031 nm, selectivity over BACE1: ≈174 000‐fold] and 3 l [N1‐((2S,3R)‐3‐hydroxy‐1‐phenyl‐4‐((3‐(trifluoromethyl)benzyl)amino)butan‐2‐yl)‐N3,5‐dimethyl‐N3‐((R)‐1‐phenylethyl)isophthalamide; Ki=1.6 nm, selectivity over BACE1: >500‐fold] displayed outstanding potency and selectivity. Inhibitor 3 l is nonpeptide in nature and may pave the way to the development of a new class of potent and selective BACE2 inhibitors with clinical potential.
Further investigation on the modified hyperbolic function in the CAM16 color appearance model
Authors: Wang Zhifeng , Gao Cheng , Xu Yang , Melgosa Manuel , Brill Michael H. , Pointer Michael , Li Changjun 
Published: January 2019

AbstractIn the International Commission on Illumination (CIE) color appearance model CIECAM02, a modified hyperbolic function is used to represent luminance adaptation. The same nonlinear function is also used in the new color appearance model CAM16 [Color Res Appl., 2017;42:703‐718]. Although the modified hyperbolic function seems reasonable based on physiological evidence, it has an infinite slope at the origin, which causes instability for both the forward and inverse modes of the CIECAM02/CAM16 models. In this article, various possible extensions to the nonlinear luminance adaptation function in CIECAM02/CAM16 are reviewed and evaluated. Based on these investigations, the Gill extension to the hyperbolic function that is used to represent luminance adaptation [Proceedings of 16th Color and Imaging Conference, pp. 327‐331, 2008], is recommended at both the lower end (q < qL) and the upper end (q > qU), where q is the appropriate Rc, Gc, Bc (or Rwc, Gwc, Bwc) response. In addition, the new recommended function can be readily inverted for use in the appropriate inverse appearance model. From an extensive analysis using available experimental data sets, we also propose that, for the lower and upper limits of the luminance range in the extended model, the values qL = 0.26 and qU = 150 be used, respectively.
Arginine Side‐Chain Hydrogen Exchange: Quantifying Arginine Side‐Chain Interactions in Solution
Authors: Mackenzie Harold W. , Hansen D. Flemming 
Published: January 2019

AbstractThe front cover artwork is provided by the group of Prof. D. Flemming Hansen at University College London. The cover illustrates a new NMR method to characterise functional interactions formed by arginine side‐chains. A free side‐chain (fast exchange) and one engaged in a salt‐bridge (slow exchange) are shown. Read the full text of the Article at 10.1002/cphc.201800598.
Zn–Cu Alloy Nanofoams as Efficient Catalysts for the Reduction of CO2 to Syngas Mixtures with a Potential‐Independent H2/CO Ratio
Authors: Lamaison Sarah , Wakerley David , Montero David , Rousse Gwenaëlle , Taverna Dario , Giaume Domitille , Mercier Dimitri , Blanchard Juliette , Tran Huan Ngoc , Fontecave Marc , Mougel Victor 
Published: January 2019

AbstractAlloying strategies are commonly used to design electrocatalysts that take on properties of their constituent elements. Herein, such a strategy is used to develop Zn–Cu alloyed electrodes with unique hierarchical porosity and tunable selectivity for CO2 versus H+ reduction. By varying the Zn/Cu ratio, tailored syngas mixtures are obtained without the production of other gaseous products, which is attributed to preferential CO‐ and H2‐forming pathways on the alloys. The syngas ratios are also significantly less sensitive to the applied potential in the alloys relative to pure metal equivalents; an essential quality when coupling electrocatalysis with renewable power sources that have fluctuating intensity. As such, industrially relevant syngas ratios are achieved at large currents (−60 mA) for extensive operating times (>9 h), demonstrating the potential of this strategy for fossil‐free fuel production.
Furan‐Based Copolyesters from Renewable Resources: Enzymatic Synthesis and Properties
Authors: Maniar Dina , Jiang Yi , Woortman Albert J. J. , van Dijken Jur , Loos Katja 
Published: January 2019

AbstractEnzymatic polymerization provides an excellent opportunity for the conversion of renewable resources into polymeric materials in an effective and sustainable manner. A series of furan‐based copolyesters was synthesized with
up to 35 kg mol−1, by using Novozyme 435 as a biocatalyst and dimethyl 2,5‐furandicarboxylate (DMFDCA), 2,5‐bis(hydroxymethyl)furan (BHMF), aliphatic linear diols, and diacid ethyl esters as monomers. The synthetic mechanism was evaluated by the variation of aliphatic linear monomers and their feed compositions. Interestingly, there was a significant decrease in the molecular weight if the aliphatic monomers were changed from diols to diacid ethyl esters. The obtained copolyesters were thoroughly characterized and compared with their polyester analogs. These findings provide a closer insight into the application of enzymatic polymerization techniques in designing sustainable high‐performance polymers.
A large dynamic range voltage controlled attenuator with improved linearity‐in‐dB for ultrasound applications
Authors: Li Di , Fei Chunlong , Li Yani , Zhang Qidong , Yang Yintang 
Published: January 2019

SummaryA large dynamic range (DR) and high linearity‐in‐dB voltage controlled attenuator (VCAT) for ultrasound applications was presented. Continuous tunable VCAT implemented with Metal‐Oxide‐Semiconductor (MOS) transistors used as shunt devices was proposed in this work, and the linearity‐in‐dB performance was analyzed in detail. Nonlinearity of the shunt transistors operated in different regions resulted in poor linearity‐in‐dB attenuation of the VCAT, which was undesirable in an ultrasonic receiver system. An effective linearity‐in‐dB improvement scheme was then proposed. The full scale range of the input control voltage was divided into N intervals with a same equal‐length by uniformly distributed voltage values. At these division voltages, the attenuation gains were corrected to be the ideal ones by the tracing and comparing circuits. In this way, the non‐linearity‐in‐dB was limited to the intervals between the two adjacent corrected attenuation gains, and the overall linearity of the VCAT was improved greatly. Measurement results showed that the dynamic range of the proposed attenuator was 36‐dB, and the gain errors were in a range from −1.22 to −0.55 dB. The noise figures (NF) at the commonly used ultrasonic frequencies was below 6‐dB, and the S11 was better than −10 dB over the input range of the control voltage.
Relationship between three factor eating questionnaire‐restraint subscale and food intake
Authors: Zambrowicz Rachel , Schebendach Janet , Sysko Robyn , Mayer Laurel E. S. , Walsh B. Timothy , Steinglass Joanna E. 
Published: January 2019

AbstractObjectiveDietary restraint refers to an individual's intention to restrict food intake, measured via self‐report questionnaires, whereas dietary restriction refers to actual reduction in caloric intake. The aim of this research was to investigate the association between dietary restraint scales and actual caloric restriction.MethodData were collected from six previously published or two ongoing eating behavior studies in which participants (n = 183) completed the Three Factor Eating Questionnaire (TFEQ) and Eating Disorders Examination Questionnaire (EDE‐Q) and participated in a laboratory‐based research lunch meal. Participants were individuals with anorexia nervosa (AN), bulimia nervosa (BN), and healthy controls (HC). The primary analysis was the association between TFEQ Restraint subscale and caloric intake in the meal.ResultsThere was a significant negative correlation between total caloric intake and TFEQ Restraint scores (r = −.60, p < .001) and EDE‐Q Restraint scores (r = −.54, p < .001). For TFEQ Restraint score, this relationship was significant within each diagnostic group (HC: r = −.32, p = .007; AN: r = −.38, p < .001; BN: r = −.43, p = .02).DiscussionThese results suggest that the TFEQ Restraint scale is a useful measure of dietary restriction, especially among individuals with eating disorders.
Flooding regimes increase avian predation on wildlife prey in tidal marsh ecosystems
Authors: Thorne Karen M. , Spragens Kyle A. , Buffington Kevin J. , Rosencranz Jordan A. , Takekawa John 
Published: January 2019

AbstractWithin isolated and fragmented populations, species interactions such as predation can cause shifts in community structure and demographics in tidal marsh ecosystems. It is critical to incorporate species interactions into our understanding when evaluating the effects of sea‐level rise and storm surges on tidal marshes. In this study, we hypothesize that avian predators will increase their presence and hunting activities during high tides when increased inundation makes their prey more vulnerable. We present evidence that there is a relationship between tidal inundation depth and time of day on the presence, abundance, and behavior of avian predators. We introduce predation pressure as a combined probability of predator presence related to water level. Focal surveys were conducted at four tidal marshes in the San Francisco Bay, California where tidal inundation patterns were monitored across 6 months of the winter. Sixteen avian predator species were observed. During high tide at Tolay Slough marsh, ardeids had a 29‐fold increase in capture attempts and 4 times greater apparent success rate compared with low tide. Significantly fewer raptors and ardeids were found on low tides than on high tides across all sites. There were more raptors in December and January and more ardeids in January than in other months. Ardeids were more prevalent in the morning, while raptors did not exhibit a significant response to time of day. Modeling results showed that raptors had a unimodal response to water level with a peak at 0.5 m over the marsh platform, while ardeids had an increasing response with water level. We found that predation pressure is related to flooding of the marsh surface, and short‐term increases in sea levels from high astronomical tides, sea‐level rise, and storm surges increase vulnerability of tidal marsh wildlife.