bluuebunny/crossref_metadata_2025_split huggingface dataset:
Mechanistic Understanding of the Effect of Surface Composition of Pt‐Ru Bimetallic Alloy Electrocatalysts on HCOOH Oxidation Pathways at Acid Electrochemical Interface
Authors: Ou Lihui , Zhao Kexin , Chen Yuandao , Jin Junling 
Published: June 2019

AbstractThe effect of surface composition of Pt−Ru bimetallic alloy electrocatalysts on HCOOH oxidation mechanisms are first studied systematically at acid electrochemical interface based on DFT in this work. The present studies indicate that the growth of Pt on Ru may be not an optimal electrocatalyst. Instead, the alloying of Pt with Ru can notably enhance the direct electrooxidation activity of HCOOH. The appropriate Ru contents play an important role in determining HCOOH electrooxidation activity and Pt−Ru alloys with low Ru contents are efficient alloy catalysts. The higher Ru contents hinder CO removal and lead to CO poisonous effect on surface active sites, thereby going against HCOOH oxidation. It is also concluded that on Pt−Ru alloys the experimentally observed enhanced oxidation kinetics may be ascribed to improved direct pathways, rather than enhancement of CO tolerance. Two possible descriptors that can scale HCOOH oxidation activity are proposed based on the origin of electrocatalytic activity, which will provide theoretical guidelines for rational design of Pt‐based alloy catalysts with appropriate surface composition.
Subcritical Water Extraction of Phenolic Compounds and Analysis of Inorganic Elements from Erigeron breviscapus
Authors: Meng Fansheng , Cheng Yan 
Published: June 2019

AbstractSubcritical water extraction of 13 phenolic compounds from Erigeron breviscapus has been studied using statically single factor experimental design. Results indicate high yields of the phenolic compounds except scutellarein and apigenine obtained at temperatures ranging from 100 to 140 °C. Box–Behnken experimental design (BBD) on three levels and three significant variables was used for optimization of total flavonoids and the antioxidant activities measured by a free radical method (DPPH). The amounts of total flavonoids were higher than that using methanol and ethanol extraction and the extraction efficiency using subcritical water was much higher. Moreover, the contents of macro–element K, Na, Ca, Mg, Fe, and trace element Cu, Mn, Zn, Cr, Ni, Co, Sr, Mo, Sn, Sb, Ba, Bi, V, Pb, Cd, Cr and Ni in three different parts of Erigeron breviscapus were determined by ICP–AES and ICP–MS.
Non‐Mercury Catalytic Acetylene Hydration over Bimetallic Cu–Zn Catalysts for Acetaldehyde Production in Gas‐Liquid System
Authors: Yang Lu , Xiao Furong , Zhang Qiang , Xu Caixia , Dai Bin 
Published: June 2019

AbstractThe reactivity of several Cu‐based bimetallic catalysts toward acetylene hydration for acetaldehyde production in gas‐liquid system was investigated. The addition of ZnCl2 obviously increased the activity of the catalyst with minimal effect on selectivity. The best catalytic conditions achieved a 47.55% conversion of acetylene with an acetaldehyde selectivity of 87.75%. The addition of ZnCl2 was found to stabilize the catalytically active Cu+ species and inhibit the reduction of Cu+ to Cu0 during acetylene hydration. Characterizations based on X‐ray diffraction, X‐ray photoelectron spectroscopy, and X‐ray excited Auger electron spectroscopy were performed, confirming the role of ZnCl2 on the enhanced activity of the Cu‐based catalysts.
Rubidium Cerium (IV) Iodates with High UV‐Light‐Driven Photocatalytic Efficiency
Authors: Tang Changcheng , Jiang Xingxing , Yin Wenlong , Chen Fang , Guo Shu , Song Gaomin , Liu Lijuan , Huang Hongwei , Xia Mingjun , Lin Zheshuai , Wang Xiaoyang 
Published: June 2019

AbstractTwo new rubidium cerium (IV) iodates, namely RbCeI5O15 and RbCeI5O15⋅H2O, have been synthesized through hydrothermal reactions. Both compounds are composed of [CeO8], [RbO8] polyhedrons, and [IO3] umbrella‐like groups, with RbCeI5O15⋅H2O having an additional [H2O] group attached to the Ce atom. UV‐vis‐NIR diffuse reflectance spectrum indicates that the band gap of RbCeI5O15⋅H2O is 2.76 eV. RbCeI5O15⋅H2O shows high photocatalytic reactivity in the degradation of methyl orange (MO) under UV light irradiation.
Fe3O4@SiO2/EP.EN.EG.Cu as a Highly Efficient and Recoverable Catalytic System for Synthesis of 1,4‐Disubstituted 1,2,3‐Triazole Derivatives via the Click Reaction
Authors: Ebadi Amin , Rajabzadeh Maryam , Khalifeh Reza 
Published: June 2019

AbstractA magnetic nanostructured core–shell Fe3O4@SiO2/EP.EN.EG.Cu has used as an efficient heterogeneous catalyst for the synthesis of 1,4‐disubstituted 1,2,3‐triazole derivatives through click reaction, under mild reaction conditions. A variety of epoxides, alkyl or benzyl halides was used to afford the corresponding 1,4‐disubstituted 1,2,3‐triazoles. The catalyst could be easily separated by using an external magnet from the reaction mixture and reused seven times without significant loss of catalytic activity.
Progressive Freezing Method for Concentrating Tetrahydrofuran (THF) Remained in Grignard Reagent Wastewater
Authors: Chen Peng , Wang Lidong , Chen Xiaoyuan , de Lourdes Mendoza María , Liu Yongdi , Cai Lankun , Zhang Lehua 
Published: June 2019

AbstractProgressive freezing technology was developed as a promising method to concentrate tetrahydrofuran (THF) remained in Grignard reagent wastewater. Effects of freezing temperature, ice formation rate, and seeding ice on ice purity were characterized. Results indicated the peak removal efficiency of chemical oxygen demand (COD) with the concentration of 3,050 mg⋅L−1 occurred at the lowest ice formation rate of 20% and −4.0°C. The minimal ice electrical conductivity happened at −6.0°C with the ice formation rate of 40%. Seeding ice improved ice purity in the range of −0.5 to −1.0°C. Subsequent test ran in plant revealed the potential application of this approach to concentrate THF from Grignard reagent wastewater. COD removal efficiency peaked at 98.09% at the stirring rate of 200 rpm and the cooling gear of 1 block. Moreover, the theoretical energy consumption was 38.26 kW⋅h per one ton of wastewater.
Carbon Soot/n–carboxylic Acids Composites As Form‐stable Phase Change Materials For Thermal Energy Storage
Authors: Wang Chengjun , Liang Weidong , Chen Pinsong , An Junru , Zhu Zhaoqi , Sun Hanxue , Li An 
Published: June 2019

AbstractSpongy carbon soot (s‐CS) was prepared and used as novel host material of the form‐stable composite phase change materials (PCMs). The s‐CS was constructed by the interconnected and compact large agglomerates of the soot particles with an average size of 25–60 nm. The average pore diameter of the s‐CS was measured to be 15.3 nm. Owing to capillary forces of s‐CS, n‐carboxylic acids can be easily absorbed into the pores and stay stable without leakage. The PCMs/s‐CS composite present a high heat storage capacity between 83.42 J g−1 and 99.63 J g−1, corresponding to the mass fraction of n‐carboxylic acids between 50.10% and 53.20%. The effects of the supporting material on thermal stability and thermal conductivity of composites were investigated by means of thermogravimetry and flash thermal conductivity testing. The PCM/spongy CS composites exhibit excellent thermal stability and durability, and may have great potential for renewable energy saving applications.
Catalyst‐Free One‐Pot Regioselective Synthesis of Spiropyrrolizines Using 1,3‐Dipolar Cycloaddition Reaction
Authors: Gupta Shruti , Khurana Jitender M. 
Published: June 2019

AbstractSynthesis of functionalized spiro[acenaphthylene‐1,3′‐pyrrolizin]‐2‐ones and spiroindeno[1,2‐b]quinoxaline‐11,3′‐pyrrolizines has been reported by one‐pot condensation of active carbonyl compounds, L‐proline/L‐thioproline and 3‐methyl‐4‐nitro‐5‐styrylisoxazoles in MeOH under reflux. This multicomponent strategy afforded corresponding spiro products in 94–98% yield with high diastereo‐ and regioselectivity. The structure has been further confirmed by X‐ray analysis of single crystal of one of the compounds. The striking feature of this work is avoidance of usage of toxic catalysts for this one‐pot synthesis.
Kinetics of Reactions of CHF2CF2CH2OH with Cl Atoms and CHF2CF2CHO with OH Radicals and Atmospheric Degradation Pathways of CHF2CF2CH2OH: A Theoretical Investigation
Authors: Baidya Bidisha , Lily Makroni , Chandra Asit K. 
Published: June 2019

AbstractThe H‐abstraction reaction between CHF2CF2CH2OH and Cl atoms has been systematically investigated using ab initio CCSD(T)//MP2/6‐311++G(d,p) method along with kinetic calculations using conventional transition state theory and Eckart's tunelling corrections. The rate coefficients for the titled reaction are reported over a temperature range of 250–500 K and found to agree quite well with the available experimental values. The computed thermochemical data and branching ratios indicate that H‐abstraction from the –CH2– site is the most favorable reaction channel. The atmospheric oxidative degradation pathways for CHF2CF2CH2OH has been explored for the first time using (P)MP2/6‐311++G(d,p) method. The reaction of the primary oxidation product CHF2CF2CHO, generated from the reaction of CHF2CF2CHOH radical with atmospheric O2, with OH radical has also been investigated for the first time using the same techniques. The calculated rate coefficient for CHF2CF2CHO +OH reaction agrees quite well with the value estimated from the structure‐reactivity relationship. Effective atmospheric lifetime and Global Warming Potential (GWP) of CHF2CF2CH2OH and CHF2CF2CHO are also reported.
Synthesis of β3‐Aryl‐Alaninyl Derivatives by sp3 C‐H Activation with Pd(OAc)2 Catalyst/Pivalic Acid in DCE and Their Structural Studies in Solid State
Authors: Mohanlal Smitha , Sharma Nagendra K. 
Published: June 2019

AbstractAryl‐β‐amino acid derivatives are structural constituents of various bioactive natural products, and their peptides have unique folding features for the formation of secondary structure. The substituted β3‐amino acids are mostly prepared from α‐amino acid by Arndt‐Eistert homologation of α‐amino acids, conjugate addition and Mannich reactions synthetic methods. Now sp3 C−H activation is an emerging elegant synthetic method, and employed for the syntheses of various β‐substituted α‐amino acids using Pd(OAc)2 catalyst. This report describes the regioselctive mono arylation of β‐alanine at β3‐postion (adjacent to N‐atom) by sp3 C−H activation methods using Pd(OAc)2 catalyst. Further β3‐phenyl alanine is coupled with α‐(2 S)‐phenyl alanine derivative which produced diasteriomeric hybrid di‐/tri‐peptides. These diastereisomers are purified into optically pure hybrid di‐/tri‐peptides by HPLC. We have explored the role of β3‐phenyl alanine residues in the formation of peptide based supramolecular self‐assembly structures. Hence β3‐aryl alanine and their peptides could be applied for construction of diverse peptidomimics.
Supramolecular Systems as an Alternative for Enzymatic Degradation of 1‐Naphthyl Methylcarbamate (Carbaryl) Pesticide
Authors: Gomez Rodríguez Esteban I. , Falcone R. Darío , Beassoni Paola R. , Moyano Fernando , Correa N. Mariano 
Published: June 2019

AbstractReverse micelles (RMs) are considered as versatile nanoreactors because they can create a unique microenvironment, to carry out biochemical and chemical reactions of interest. Thus, in this contribution we propose them to be used as a new approach to hydrolyze a powerful and widely used pesticide: 1‐naphthyl methylcarbamate (Carbaryl), using the enzyme α‐Chymotrypsin (α‐CT) encapsulated in the water pool.
Rectification of Mobile Leidenfrost Droplets by Planar Ratchets
Authors: Li Jing , Zhou Xiaofeng , Zhang Yujie , Hao Chonglei , Zhao Fuwang , Li Minfei , Tang Hui , Ye Wenjing , Wang Zuankai 
Published: June 2019

AbstractThe self‐transportation of mobile Leidenfrost droplets with well‐defined direction and velocity on millimetric ratchets is one of the most representative and spectacular phenomena in droplet dynamics. Despite extensive progress in the ability to control the spatiotemporal propagation of droplets, it remains elusive how the individual ratchet units, as well as the interactions within their arrays, are translated into the collective droplet dynamics. Here, simple planar ratchets characterized by uniform height normal to the surface are designed. It is revealed that on planar ratchets, the transport dynamics of Leidenfrost droplets is dependent not only on individual units, but also on the elegant coordination within their arrays dictated by their topography. The design of planar ratchets enriches the fundamental understanding of how the surface topography is translated into dynamic and collective droplet transport behaviors, and also imparts higher applicability in microelectromechanical system based fluidic devices.
Ultraefficient Conversion of CO2 into Morphology‐Controlled Nanocarbons: A Sustainable Strategy toward Greenhouse Gas Utilization
Authors: Liang Chu , Pan Liangbin , Liang Sheng , Xia Yang , Liang Zhiqiang , Gan Yongping , Huang Hui , Zhang Jun , Zhang Wenkui 
Published: June 2019

AbstractThe ability to efficiently convert CO2 into nanocarbons at low temperatures is highly desirable, as it would enable the environmentally benign utilization of greenhouse gases, yet this remains a considerable challenge. Herein, a one‐step, ultrafast, and scalable strategy is demonstrated to efficiently convert CO2 into morphology‐controlled nanocarbons at low temperatures. The conversion reactions between CO2 and LiH are achieved in less than 30 s at moderate conditions by introducing a very small amount of water, ball milling, or heating. Nanocarbons featuring wildly tunable morphology with characteristic dimensions ranging from nanoscale to macroscale are successfully synthesized by controlling the CO2 pressure and the synthesis routes. The gas blowing velocity and its distribution are revealed as the main reasons for the CO2 pressure and synthesis route dependent morphology and porosity of nanocarbons. Moreover, a two closed‐loop reaction process including five‐stage reactions is proposed for nanocarbons synthesis and LiH regeneration. The strategy provides a new opportunity for efficient and environmentally benign nanocarbons synthesis.
Leaking supervisory controls and data acquisition commands over unpadded TCP/IP encryption through differential packet size analysis
Authors: Stergiopoulos George , Kapetanas Nick , Vasilellis Efstratios , Gritzalis Dimitris 
Published: June 2019

AbstractMODBUS is the most common protocol in industrial control systems for relaying commands and fetching data. Still, the protocol has zero built‐in security. Thus, modern implementations want to control remote units through the internet to maximize utility, they often implement MODBUS over TCP/IP connections. To cope with the inherent vulnerabilities, trending implementations of MODBUS‐TCP utilize encryption on TCP packets to protect the commands and data being transferred. Still, side characteristics can be exploited to break the confidentiality of these command executions. In this article, we present attacks that leak what is being executed on a real‐world Supervisory Controls and Data Acquisition (SCADA) system running MODBUS, even if commands are encrypted over a TCP/IP channel. Presented scenario attacks use network traffic sniffed from a hardware‐in‐the‐loop simulated Power Grid Industrial Control System. We also show that command execution can be leaked no matter when the attacker starts sniffing traffic, provided he has some prior knowledge on how the SCADA system works. Only restriction is that the configuration must use unpadded encryption; something that proved to be more common than expected.
Dissipation, risk assessment, half‐life period and method validation of carbendazim and triazophos in green pea by high‐performance liquid chromatography
Authors: Wani Ashraf A. , Dar Alamgir A. , Jan Ishrat , Sofi Khurshid A. , Sofi Javid A. , Dar Irshad H. 
Published: June 2019

AbstractHerein, the simultaneous quantification, dissipation, risk assessment, half‐life period and method validation of carbendazim and triazophos by high‐performance liquid chromatography has been described. The developed method was validated as per the sante guidelines 2017. All calibration curves showed a good linear relationship (r > 0.99) within test range. Precision was assessed by intra‐ and inter‐day tests with relative standard deviations less than 5%. Recovery was observed within acceptable limit. The residue level of carbendazim and triazophos residues were observed upto the third day and reached below the detection limit on green pea on the fifth day after treatment with carbendazim and triazophos formulation at recommended dosages. Based on the findings, waiting period of 5 days is recommended for consumption of green pea. The presented study would be helpful for safe usage of carbendazim and triazophos on green pea and to prevent any health risk to consumers. The developed method is simple, easy, sensitive and repeatable with a short run time, and can be extended for residues based standardisation of pesticide formulations containing green pea and its use in pesticide industries.
Rhynchophyllin attenuates neuroinflammation in Tourette syndrome rats via JAK2/STAT3 and NF‐κB pathways
Authors: Hongyan Long , Mengjiao Zhang , Chunyan Wang , Yaruo Huang 
Published: June 2019

AbstractThe aim of this study was designed to investigate the effects of rhynchophyllin (RH) on neuroinflammation in Tourette syndrome (TS) rats. TS model was established in rats by the injection of selective 5‐HT2A/2C agonist 1‐(2, 5‐dimethoxy‐4‐iodophenyl)‐2‐aminopropane (DOI). Behavior in DOI‐induced rats was tested. Inflammatory cytokines levels such as interleukin‐1β (IL‐1β), interleukin‐6 (IL‐6), and tumor necrosis factor‐α (TNF‐α) in serum and striatum were detected. The expression levels of janus kinase 2 (JAK2)/signal transducer and transcription activator 3 (STAT3) and nuclear factor (NF)‐κB pathways in striatum were measured by Western blot. Data indicated that RH can significantly reduce the numbers of nodding experiment of TS rats. RH significantly decreased IL‐6, IL‐1β, and TNF‐α in serum and striatum of TS rats, with altered expression of P‐JAK2, P‐STAT3, P‐NF‐κBp65, and P‐IκBα in TS rats, as evidenced by Western blot analysis and immunohistochemistry, suggesting that the regulation of JAK2/STAT3 and NF‐κB pathways might be involved in the mechanism of RH on TS.
Cauchy and other shrinkage priors for logistic regression in the presence of separation
Authors: Ghosh Joyee 
Published: June 2019

AbstractIn recent years, the choice of prior distributions for Bayesian logistic regression has received considerable interest. It is widely acknowledged that noninformative, improper priors have to be used with caution because posterior propriety may not always hold. As an alternative, heavy‐tailed priors such as Cauchy prior distributions have been proposed by Gelman et al. (2008). The motivation for using Cauchy prior distributions is that they are proper, and thus, unlike noninformative priors, they are guaranteed to yield proper posterior distributions. The heavy tails of the Cauchy distribution allow the posterior distribution to adapt to the data. Thus Gelman et al. (2008) suggested the use of these prior distributions as a default weakly informative choice, in the absence of prior knowledge about the regression coefficients. While these prior distributions are guaranteed to have proper posterior distributions, Ghosh, Li, and Mitra (2018), showed that the posterior means may not exist, or can be unreasonably large, when they exist, for datasets with separation. In this paper, we provide a short review of the concept of separation, and we discuss how common prior distributions like the Cauchy and normal prior perform in data with separation. Theoretical and empirical results suggest that lighter tailed prior distributions such as normal prior distributions can be a good default choice when there is separation.This article is categorized under:
Statistical Learning and Exploratory Methods of the Data Sciences > Modeling Methods Statistical Models
Results and techniques for higher order calculations within the gradient-flow formalism
Authors: Artz Johannes , Harlander Robert V. , Lange Fabian , Neumann Tobias , Prausa Mario 
Published: June 2019

AbstractWe describe in detail the implementation of a systematic perturbative approach to observables in the QCD gradient-flow formalism. This includes a collection of all relevant Feynman rules of the five-dimensional field theory and the composite operators considered in this paper. Tools from standard perturbative calculations are used to obtain Green’s functions at finite flow timetat higher orders in perturbation theory. The three-loop results for the quark condensate at finitetand the conversion factor for the “ringed” quark fields to the$$ \overline{\mathrm{MS}} $$MS¯scheme are presented as applications. We also re-evaluate an earlier result for the three-loop gluon condensate, improving on its accuracy.
Mild hydrothermal pretreatment of sugarcane bagasse enhances the production of holocellulases by Aspergillus niger
Authors: de Oliveira Gorgulho Silva Caio , de Castro Moreira dos Santos Júnior Agenor , Santana Renata Henrique , Krüger Ricardo Henrique , Fontes Wagner , de Sousa Marcelo Valle , Ricart Carlos André Ornelas , Filho Edivaldo Ximenes Ferreira 
Published: June 2019

Abstract
Holocellulase production by Aspergillus niger using raw sugarcane bagasse (rSCB) as the enzyme-inducing substrate is hampered by the intrinsic recalcitrance of this material. Here we report that mild hydrothermal pretreatment of rSCB increases holocellulase secretion by A. niger. Quantitative proteomic analysis revealed that pretreated solids (PS) induced a pronounced up-regulation of endoglucanases and cellobiohydrolases compared to rSCB, which resulted in a 10.1-fold increase in glucose release during SCB saccharification. The combined use of PS and pretreatment liquor (PL), referred to as whole pretreated slurry (WPS), as carbon source induced a more balanced up-regulation of cellulases, hemicellulases and pectinases and resulted in the highest increase (4.8-fold) in the release of total reducing sugars from SCB. The use of PL as the sole carbon source induced the modulation of A. niger’s secretome towards hemicellulose degradation. Mild pretreatment allowed the use of PL in downstream biological operations without the need for undesirable detoxification steps.
“I Am the Eternal Green Man”: Holistic Ecology in Reading Patrick Ness’s A Monster Calls
Authors: Yarova Aliona 
Published: June 2019

Abstract
Holistic ecology considers nature and society as a whole, viewing humans and the environment as interdependent and interconnected. This article takes the lens of holistic ecology to examine the representation of human–nature relationships in Patrick Ness’s A Monster Calls (2011) and explores how the novel guides the child reader to an environmental mind-set beyond overt didacticism. The article focuses on two aspects of the bond between the magical tree and the human characters in the novel: how the powerful tree empowers humans and how the human characters contribute to the tree’s expressions of power. The eternal Green Man—as the tree introduces itself—embodies this bond by being simultaneously tree-like and human-like, a complex merger of “the Green” (nature) and “the Man” (humanity). The monster-tree fulfils several powerful and empowering roles, such as monster and storyteller, destructive force and powerful healer, savage and philosopher, nightmare and escape. Importantly, it always keeps the shape of a yew tree. As such, A Monster Calls can contribute to children’s environmental education by illustrating the connection between the natural environment and humans: the eternal bond between “the Green” and “the Man.”