bluuebunny/crossref_metadata_2025_split huggingface dataset:
On the Role of Symmetry in Vibrational Strong Coupling: The Case of Charge‐Transfer Complexation
Authors: Pang Yantao , Thomas Anoop , Nagarajan Kalaivanan , Vergauwe Robrecht M. A. , Joseph Kripa , Patrahau Bianca , Wang Kuidong , Genet Cyriaque , Ebbesen Thomas W. 
Published: March 2020

AbstractIt is well known that symmetry plays a key role in chemical reactivity. Here we explore its role in vibrational strong coupling (VSC) for a charge‐transfer (CT) complexation reaction. By studying the trimethylated‐benzene–I2 CT complex, we find that VSC induces large changes in the equilibrium constant KDA of the CT complex, reflecting modifications in the ΔG° value of the reaction. Furthermore, by tuning the microfluidic cavity modes to the different IR vibrations of the trimethylated benzene, ΔG° either increases or decreases depending only on the symmetry of the normal mode that is coupled. This result reveals the critical role of symmetry in VSC and, in turn, provides an explanation for why the magnitude of chemical changes induced by VSC are much greater than the Rabi splitting, that is, the energy perturbation caused by VSC. These findings further confirm that VSC is powerful and versatile tool for the molecular sciences.
Sila‐ and Germacarboxylic Acids: Precursors for the Corresponding Silyl and Germyl Radicals
Authors: Xu Ning‐Xin , Li Bi‐Xiao , Wang Chao , Uchiyama Masanobu 
Published: March 2020

AbstractSilicon‐containing compounds are widely used as synthetic building blocks, functional materials, and bioactive reagents. In particular, silyl radicals are important intermediates for the synthesis and transformation of organosilicon compounds. Herein, we describe the first protocol for the generation of silyl radicals by photoinduced decarboxylation of silacarboxylic acids, which can be easily prepared in high yield on a gram scale and are very stable to air and moisture. Irradiation of silacarboxylic acids with blue LEDs (455 nm) in the presence of a commercially available photocatalyst releases silyl radicals, which can further react with various alkenes to give the corresponding silylated products in good‐to‐high yields with broad functional‐group compatibility. This reaction proceeds in the presence of water, enabling efficient deuterosilylation of alkenes with D2O as the deuterium source. Germyl radicals were similarly obtained.
Prismaren: Ein neues Naphthol‐basiertes makrozyklisches Aren
Authors: Yang Liu‐Pan , Jiang Wei 
Published: March 2020

AbstractMakrozyklische Arene auf Phenolbasis sind in der supramolekularen Chemie weit verbreitet. Im Vergleich dazu ist die Chemie der Naphthol‐basierten makrozyklischen Arene wenig entwickelt. Vor kurzem haben Gaeta und Mitarbeiter erfolgreich solche Makrozyklen (sogenannte Prism[n]arene) mit guter Bindungsfähigkeit für Gastmoleküle synthetisiert, indem sie 2,6‐Dimethoxynaphthalin mit Paraformaldehyd unter optimierten Bedingungen umsetzten. Angesichts der einfachen Synthese und guten Wirt‐Gast‐Chemie erwarten wir, dass dieser Makrozyklus einen ähnlichen Erfolg wie die phenolbasierten makrozyklischen Arene finden wird.
Structure–property correlation of silicone hydrogels based on 3‐[tris(trimethylsilyloxy)silyl]propyl methacrylate monomer
Authors: Sharma Asmita , Bhat Shreedhar , Dasgupta Debarshi , Samantara Laxmi , Kalyanachakravarthi Kothapalli , Manchanda Bindu , Shah Chetan , Saxena Anubhav , Choudhury Veena , Mondal Titash 
Published: March 2020

AbstractWe have investigated silicone‐based hydrogels highlighting the effect of silyl comonomer, method of polymerization and nature of cross‐linker on their bulk as well as surface properties. Transmission electron microscopy results showed that solution thermal polymerization mitigated phase segregation of hydrophobic siloxane components over bulk thermal polymerization. 2‐hydroxyethyl methacrylate cannot provide transparent hydrogels with 3‐[tris(trimethylsilyloxy)silyl]propyl methacrylate alone and requires equal weight percent of N, N‐dimethylacrylamide to compatibilize the comonomers to yield a silicone hydrogel network showing no microphase separation. The differentiated surface properties of silicone hydrogels containing varying amount of siloxane comonomers were also unraveled and rationally supported by surface infrared spectroscopic results. Different molecular states of water entrapped within hydrogel network were identified to understand the nature of gel‐mesh functionality. The effect of silicone pendant groups on the gel elasticity was also explored.
Characterizing tourism benefits associated with top‐predator conservation in coastal British Columbia
Authors: Martone Rebecca G. , Naidoo Robin , Coyle Theraesa , Stelzer Bertine , Chan Kai M.A. 
Published: March 2020

Abstract

Facing public concern over costs related to top‐predator reintroductions and conservation, ecosystem services such as ecotourism are often used to evoke benefits that outweigh or offset those costs. Quantifying these benefits using rigorous scientific methods can provide confidence to policymakers and other stakeholders that predators can in fact deliver positive outcomes to people living alongside them. The evaluation of these benefits is often anecdotal or qualitative, however, and empirical quantifications are rare.
In coastal marine ecosystems, sea otter reintroduction is seen as a conservation success to some but a bane to others. The contribution of sea otters (Enyhdra lutris) to tourism revenue is touted as a crucial ecosystem service benefit to offset the loss of shellfish harvesting and associated revenue, but remains unquantified, weakening the favourable reception of conservation action.
The potential economic benefits of sea otters associated with tourism and the extent to which benefits are realized were evaluated based on: (i) choice‐experiment surveys of tourists; and (ii) interviews with tourism operators in British Columbia.
Sea otters were a strong factor in people's choices regarding wildlife viewing, and sea otters could have large benefits for local economies. Alongside socio‐economic characteristics, tourism experience influences tourists’ preferences. Tourism operators did not perceive sea otters as strongly influencing tourist choice, highlighting the gap that can occur between the perception and the reality of tourist preferences, leading to missed opportunities for the alignment of economic development with conservation actions.
Fully distributed coordination learning control of second‐order nonlinear multi‐agent systems with input saturation
Authors: Yang Nana , Li Junmin 
Published: March 2020

AbstractThis paper develops the coordination learning control of second‐order non‐linear multi‐agent systems with input saturation. Fully distributed learning consensus protocols with fully saturated parameter adaptive updating laws are designed. Although there exists input saturation in the dynamics of each follower agent, the global perfect consensus tracking can be realized over a finite time interval. Meanwhile, an extension to formation control has been made, and two illustrative examples certify the validness of the presented algorithms.
Low‐Frequency Magnetic Field of Appropriate Strengths Changed Secondary Metabolite Production and Na+ Concentration of Intracellular and Extracellular Monascus purpureus
Authors: Xiong Xiaoqian , Zhen Zhixin , Liu Yingbao , Gao Mengxiang , Wang Shaojin , Li Li , Zhang Jialan 
Published: March 2020

Monascus purpureus is used to yield edible pigments accompanied by mycotoxin‐citrinin. A low‐frequency (<300 Hz) magnetic field (LF‐MF) affects microbial metabolism. The link of LF‐MF with secondary metabolites and intracellular and extracellular Na+ levels in M. purpureus was determined. The fermentation broth was exposed to LF‐MF during the first 2 days of fermentation and continuously cultured at 30°C and 200 rpm until the 8th day of fermentation. Results showed that LF‐MF treatments didn't affect the growth of M. purpureus in liquid‐state fermentation. Compared with the control, citrinin production showed a decrease of 45.0%, while yellow, red, and orange pigment production showed an increase of 72.9, 73.9, and 40.1%, respectively, with LF‐MF treatment of 1.6 mT. This was in agreement with downregulation of pksCT and ctnA, and upregulation of pksPT, pigR, veA, and laeA at the transcriptional level. Moreover, 1.6 mT LF‐MF exposure caused the transfer of Na+ from extracellular to intracellular, which was validated through the upregulation of transmembrane sensor synthesis genes and the changes in the relative expression levels of the P‐type ATPase and protein phosphatase genes. This study established that LF‐MF could inhibit citrinin and stimulate pigment production and change intracellular and extracellular Na+ concentrations. Bioelectromagnetics. 2020;41:289–297 © 2020 Bioelectromagnetics Society
Understanding the Promotion Effect of Mn on CuO/Al2O3 for Catalyzed HCl Oxidation to Cl2
Authors: Tian Xin , Wang Shuai , Wang Zhou‐jun , Wang Hongqing , Zhou Yonghua , Zhong Hong , Mao Yu 
Published: March 2020

AbstractHCl oxidation to Cl2 catalyzed by Cu‐based catalysis is an effective way to realize the sustainable development of chlorine‐involved industries. In this work, we investigated the role of promoter Mn on CuO/Al2O3 in HCl oxidation to Cl2. The X‐ray diffraction (XRD), scanning electron microscopy (SEM), high‐resolution transmission electron microscopy (HRTEM) and H2‐temperature programmed reduction (H2‐TPR) characterizations suggested that Cu could be well dispersed in the MnOx lattice and hindered the reduction of CuO due to their strong interaction. The catalyst showed an unprecedentedly stable HCl conversion rate (xHCl) of about 79 % with space time yield (STY) of 2.14 gCl2 gcat−1 h−1 in a 1000 hours test. The results of reaction kinetics suggested that the deep chlorination of catalysts was significantly inhibited under the reaction atmosphere. Density functional theory (DFT) calculations proved that the binding energy of O on CuO−MnOx/Al2O3 ternary system was significantly strengthened that overwhelmed Cl, with ΔGO (−4.12 eV) ≪ ΔGCl (‐1.75 eV), which greatly inhibited the poisoning of reactive sites by Cl*. A good correlation between experimental observations and theoretical calculations was established in this work.
FeTiO3 as Anode Material for Sodium‐Ion Batteries: from Morphology Control to Decomposition
Authors: Brugnetti Gabriele , Fiore Michele , Lorenzi Roberto , Paleari Alberto , Ferrara Chiara , Ruffo Riccardo 
Published: March 2020

AbstractIlmenite, general formula FeTiO3, has been proposed as possible conversion anode material for lithium‐ and sodium‐ion batteries, with theoretical capacity of 530 mAhg−1. Experimentally, the observed specific capacity for pristine ilmenite is far away from the theoretical value; for this reason, the control of morphology via alkaline hydrothermal treatment has been proposed as possible strategy to improve the electrochemical performance. At the same time FeTiO3 is prone to react with sodium and potassium hydroxide, as already demonstrated by studies on the degradation of ilmenite for the extraction of TiO2. In this paper we demonstrate that the alkaline treatment does not induce a morphological modification of the FeTiO3 powders but involved the degradation of the precursor material with the formation of different phases. A complete physicochemical and electrochemical characterization is performed with the aim of correlating structural and functional properties of the obtained products.
One‐Pot Hydrothermal Synthesis of ZnS Nanospheres Anchored on 3D Conductive MWCNTs Networks as High‐Rate and Cold‐Resistant Anode Materials for Sodium‐Ion Batteries
Authors: Fan Anran , Hou Tianyi , Sun Xiaohong , Xie Dongli , Li Xin , Zhang Na , Guo Jinze , Jin Shibo , Zhou Yunmei , Cai Shu , Zheng Chunming 
Published: March 2020

AbstractA 3D conductive network nanostructured composite of ZnS nanospheres anchored on multiwall carbon nanotubes (denoted as ZnS/MWCNTs) is synthesized via one‐pot hydrothermal method as anodes for sodium‐ion batteries. The MWCNTs backbone can form an interconnected network and nano‐sized ZnS spheres are uniformly and closely anchored on the 3D network of MWCNTs. The morphology and microstructures of the electrode materials can be controlled easily by regulating the concentration of thiourea and the amount of MWCNTs. Benefiting from its remarkable architecture, the optimized ZnS/MWCNTs exhibits an excellent cycling performance (397 mA h g−1 after 50 cycles at 100 mA g−1) and outstanding rate capability (320 mA h g−1 at 4 A g−1 after 300 cycles ) at room temperatures. Moreover, the optimal ZnS/MWCNTs shows superior electrochemical performance at low temperatures (−10 °C), delivering high reversible capacities of 230 mA h g−1 at 1 A g−1 after 400 cycles. These results make the ZnS/MWCNTs a promising anode material for sodium‐ion batteries, and our findings may offer a feasibility strategy to design other anode materials with good rate and low‐temperature performance.
Role of H2O for CO2 Reduction Reactions at Platinum/Electrolyte Interfaces in Imidazolium Room‐Temperature Ionic Liquids
Authors: Ratschmeier Björn , Kemna Andre , Braunschweig Björn 
Published: March 2020

AbstractCO2 reduction reactions (CO2RR) are interesting for power‐to‐x applications and have been studied on Pt electrodes in 1‐ethyl‐3‐methylimidazolium dicyanamide [EMIM][DCA] as well as in 1‐ethyl‐3‐methylimidazolium [EMIM][BF4], 1‐butyl‐3‐methylimidazolium [BMIM][BF4] and 1‐ocytl‐3‐methylimidazolium tetrafluoroborate [OMIM][BF4] electrolytes. Cyclic voltammetry indicates a strong increase in activity for CO2RR with water concentration, which was investigated on a molecular level by using IR absorption spectroscopy (IRAS) and sum‐frequency generation (SFG) to address both bulk and surface‐adsorbed species. IRAS demonstrates that the formation of an imidazolium carboxylic acid intermediate occurs at electrode potentials as high as −0.4 V, which depend on the choice of the RTIL and the water concentration. In addition, SFG spectroscopy provides evidence for the formation of CO on Pt atop sites and was used to determine the onset potential for the formation CO. In [BMIM][BF4] and [OMIM][BF4] electrolytes, the formation of CO is negligible even at very negative potentials of −1.5 V, but for [EMIM][DCA] and [EMIM][BF4] the formation of CO is observed and the onset potential shifts significantly with the H2O concentration. Taking the Stark tuning rate (40 cm−1/V) of the CO band into account, we conclude that the CO coverage is fairly low, yet the presence of CO leads to deactivation of the Pt surface and to a decrease in reduction currents.
Catalytic Light‐Triggered Reduction Promoted by a Dithienylethene Derivative
Authors: Khettabi Amina , Grempka Arkadiusz , Lafolet Frederic , Chatir Elarbi , Leconte Nicolas , Collomb Marie‐Noelle , Jouvenot Damien , Cobo Saioa 
Published: March 2020

AbstractA pyridinium substituted dithienylethene derivative was used for the first time as an efficient photoreducing agent of two different substrates. This reaction exhibits high catalytic yields due to the continuous regeneration of the initial state of the photochromic molecule.
A Layered Tin Bismuth Selenide with Three Different Building Blocks that Account for an Extremely Large Lattice Parameter of 283 Å
Authors: Nentwig Markus , Eisenburger Lucien , Heinke Frank , Souchay Daniel , Oeckler Oliver 
Published: March 2020

AbstractThe layered compound Sn2.8(4)Bi20.2(4)Se27 exhibits an extraordinarily long‐periodic 150R stacking sequence. The crystal structure contains three different building blocks, which form upon the addition of Sn to a Bi‐rich bismuth selenide. Sn‐doped Bi2 double (“2”) layers similar to those in elemental bismuth, Sn0.3Bi1.7Se3 quintuple (“5”) layers and Sn0.4Bi2.6Se4 septuple (“7”) layers are arranged in a 7525757525|7525757525|7525757525 sequence, which corresponds to a structure with a=4.1819(4) and c=282.64(6) Å in space group R
m. The structure of a microcrystal was determined using microfocused synchrotron radiation and refined as a formally commensurately modulated structure in (3+1)D superspace (superspace group R
m(00γ)00), with a trivial basic structure that contains just one atom. The stacking sequence as well as the cation distribution are confirmed by aberration‐corrected scanning transmission electron microscopy (STEM) in combination with chemical mapping by X‐ray spectroscopy with atomic resolution. Stacking faults are not typical but have been observed occasionally.
Linear and Star‐Shaped Extended Di‐ and Tristyrylbenzenes: Synthesis, Characterization and Optical Response to Acid and Metal Ions
Authors: Zhang Hao , Kotlear Eugen A. , Kushida Soh , Maier Steffen , Rominger Frank , Freudenberg Jan , Bunz Uwe H. F. 
Published: March 2020

AbstractTwo linear 1,4‐distyrylbenzenes and five star‐shaped 1,3,5‐tristyrylbenzene derivatives (L2a and L2b, Y0–Y3 and YNBu) were synthesized and spectroscopically characterized. The photophysical properties, optical response to acid and metal ions were investigated. Upon backbone extension of linear distyrylbenzenes or the introduction of dibutylanilines, the electronic spectra are redshifted. Incorporation of electron‐deficient pyridyl units does not significantly affect the optical properties. Variation of the number of pyridine rings and substitution pattern tune the fluorescence response to acids and metal ions. The novel arenes discriminate Al3+, Mn2+, Fe3+, Fe2+, Cd2+, Ag+ and Hg2+.
Fluorodynamers Displaying Tunable Fluorescence on Constitutional Exchanges in Solution and at Solid Film–Solution Interface
Authors: Si Mingran , Zhu Weijia , Zhang Yan , Barboiu Mihail , Chen Jinghua 
Published: March 2020

AbstractDynamic covalent polymers—dynamers—are adaptive materials that offer timely variant adaptive macroscopic organization across extended scales. In the current study, imine exchange reactions and fluorescence transfer can occur at the interfaces between various solutions and solid state dynameric films. The fluorescence quenching upon imine formations for designed fluorogen was successfully demonstrated, and this tunable fluorescence was further used to study the re‐composition of a solid film. Moreover, the dynamic covalent films also exhibited responsiveness to competing amines and acid/base conditions, both in solutions and solid film–solution interface. This work can provide more insights into interface dynamic chemistry and holds great potential for further applications in optical and biomedical materials.
Comparative study of dry pressure drop and flow behaviour of gas flow through sieve plate packing
Authors: Qiao Min , Liu Shaobei , Huang Weixing , Hao Renjie , Zhang Taoxian , Wu Shaoxun 
Published: March 2020

AbstractSieve plate packing is a newly developed packing that has been used in several industries due to its simple structure and operating flexibility, and no liquid flooding. In this work, first, systematic experiments were conducted to measure the pressure drop of gas flow through six sieve plate packings. The results indicated that the geometric characteristics of the packing have complicated effects on the pressure drops. Based on this, CFD simulations on the gas flow field were conducted using the realizable k‐ε model, and flow behaviours such as the pressure drop, pressure nephogram, and velocity distributions within different packings were obtained. The simulation results clearly showed interesting flow patterns, including the contraction and expansion of the gas stream through the sieve hole, the flow separation on the sharp edge of the hole, and the vortexes formed when gas impacts the downstream plate. By comparing the flow patterns and the pressure drop under different packings operating at different conditions, the effects of the geometric characteristics of the packing on the pressure drop could be clearly distinguished from the flow behaviours, so that the variations in pressure drop with various packing structures were clearly indicated. Finally, based on the experimental data and the simulated results, correlations for the prediction of the pressure drops were proposed. This work will provide a useful basis for understanding the flow behaviour of gas and liquid two‐phase flow in sieve plate packing.
TOPSIS‐based approach for network slice selection in 5G mobile systems
Authors: Bakmaz Bojan , Bojkovic Zoran , Bakmaz Miodrag 
Published: March 2020

SummaryFifth‐generation (5G) mobile networks can be perceived as highly manageable systems that provide increased performance while supporting a variety of services with widely diverse requirements. Recently, network slicing has been proposed by academia and industry as a resource provisioning technique capable to meet these requirements with reduced operating costs while opening new horizons for network efficiency. The aim of network slice selection function (NSSF) is an optimal selection of network instances serving the users, based on local configuration, and other available information including radio access networks (RANs) performances in the registration area. In this paper, NSSF based on Technique for Order Preference by Similarity to Ideal Solution (TOPSIS) is proposed. Here, the network slices are treated as alternatives while their performance indicators are considered as the criteria for decision making. The influences of various alternative techniques, taking into account all the three stages of decision making process, that is, normalization, weighting, and ranking, are analyzed through the rank reversal phenomenon and computational complexity. Simulation results reveal that the proposed techniques can significantly improve the network slice selection procedure.
Oridonin ameliorates carbon tetrachloride‐induced liver fibrosis in mice through inhibition of the NLRP3 inflammasome
Authors: Liu Dong , Qin Hailong , Yang Bixian , Du Bin , Yun Xuelin 
Published: March 2020

AbstractLiver fibrosis is characterized by the activation of hepatic stellate cells (HSCs) and accumulation of the extracellular matrix. There are limitations in the current therapies for liver fibrosis. Recently, oridonin was shown to induce apoptosis in HSCs. Thus, we aimed to determine the roles of oridonin in chronic liver injury and fibrosis. Liver fibrosis was induced by CCl4 in mice injected intraperitoneally with oridonin for 6 weeks. The administration of oridonin significantly attenuated liver injury and reduced ALT levels. In addition, Sirius Red staining and the expression of α‐smooth muscle actin (α‐SMA) were significantly reduced by oridonin in murine livers with fibrosis. The expression of NLRP3, caspase‐1, and IL‐1β was downregulated with the oridonin treatment. Furthermore, the expression of F4/80 in liver tissues was also decreased by oridonin treatment. These results demonstrate that oridonin ameliorates chronic liver injury and fibrosis. Mechanically, oridonin may inhibit the activity of the NLRP3 inflammasome and inflammation in the liver. These results highlight the potential of oridonin as a therapeutic agent for liver fibrosis.