bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis of CdS/g‐C3N4/Vermiculite Heterostructures with Enhanced Visible Photocatalytic Activity for Dye Degradation
Authors: Xue Ruixue , Wang Fangwai , Ge Yizhao , Ma Yujie , He Xiang , Wang Zijun 
Published: October 2021

AbstractIn this study, CdS/g‐C3N4/Vermiculite composites were prepared by hydrothermal and calcinated with expanded‐ vermiculite as host photocatalysis. Compared with other reference samples, the received CS/CN/VMT composite material has significantly enhanced photocatalytic activity on rhodamine B and methylene blue. The significantly enhanced catalytic efficiency is a benefit originating from the large specific surface area of vermiculite and the excellent electron transport efficiency between g‐C3N4 and CdS. Moreover, the degradation rate of the catalyst can still reach 96 % after being repeated four times, indicating that the composite catalyst has facilitated stability and recyclability. Particle capture experiments and ESR studies show that the .O2− is the primary active substance of CS/CN/VMT, and a possible photocatalytic degradation path has been proposed.
Cyclic N‐2‐Chloroethyl‐sulfamide Compounds with a Phosphonate Moiety: Synthesis, Characterization, X‐Ray Crystallographic Study and Antimicrobial Evaluation
Authors: Aouf Zineb , Bouacida Sofiane , Benzaid Chahrazed , Amira Aïcha , K'tir Hacène , Mathé‐Allainmat Monique , Lebreton Jacques , Aouf Nour‐Eddine 
Published: October 2021

AbstractAn efficient access to a novel series of organophosphorus compounds with a cyclosulfamide moiety is described. Starting from α‐hydroxyphosphonates, the 2‐chloroethyl‐(1, 2, 5‐ thiadiazoline‐2‐carbonyloxy‐1‐ dioxide) phosphonates compounds were prepared in three steps including an Abramov reaction, carbamoylation‐sulfamoylation with chlorosulfonyl isocyanate and an intramolecular cyclisation. The spectroscopic methods (1H NMR, 13C NMR, 31P NMR, MS and IR) were used to determine the structural characteristics of the synthesized compounds and X‐ray crystallographic data were provided for compound 3c. Some selected compounds were screened in vitro for their antimicrobial activity against a panel of microorganisms, resulting in a good antibacterial activity compared to standard drugs.
La‐Based Perovskites Combined with HZSM‐5 for Selective Conversion of Syngas into Aromatics
Authors: Wang Jinhao , Huang Zhen , Fang Yue , Shen Wei , Xu Hualong 
Published: October 2021

AbstractImproving catalytic selectivity with high conversion meets big challenge for direct conversion of syngas (CO/H2) to aromatics (STA). Here, a series of LaBO3 (B=Fe, Co, Ni, Mn, Cr) perovskite oxides was synthesized and applied as metal oxide component of OX‐ZEO bifunctional catalysts for STA firstly. By combining with HZSM‐5, LaFeO3, LaMnO3 and LaCrO3 exhibited good performance on syngas conversion. For the bifunctional catalyst of LaFeO3/HZSM‐5, a superior catalytic performance with 82.0 % selectivity to aromatics at 28.5 % CO conversion was achieved. The composition of B‐site metals in perovskites and its stabilization in the structure are essential for activity of STA reaction. In situ DRIFTs study revealed the syngas conversion over perovskite followed the surface formate and methoxy intermediate species transformation pathway.
Ubiquitous Presence of Intermolecular CH…O Hydrogen Bonds in As‐synthesized Host‐Guest Zeolite Materials
Authors: Al‐Nahari Shadi , Ata Karima , Mineva Tzonka , Alonso Bruno 
Published: October 2021

AbstractCH⋅⋅⋅O hydrogen bonds (HBs) are ubiquituous in silica zeolite crystals hosting cationic Organic Structure Directing agents (OSDAs). This new finding is notably supported by a correlation between experimental C−O distances and COSi angles’ distributions of two series of 19 and 11 available structures. The correlation enables to asses the directionality of the CH…O intermolecular interactions and to extrapolate a geometrical model for the hydrogen bonded moeities. DFT−D3 calculations on representative structures further confirmed the presence of these HBs and their geometry on the basis of H−O distances, CHO angles and electron density. The reported insights demonstrate also the particularities of these intermolecular interactions in terms of charge distribution and electrostatic potentials. Further, multiple hydrogen bonding is evidenced between OSDAs and zeolites’ channels and cages, opening new perspectives in the study of zeolite‐OSDA host‐guest interactions.
Efficient Electrochemical Reduction of CO2 to CO in Ionic Liquids
Authors: Hu Yanjie , Feng Jiaqi , Zhang Xiangping , Gao Hongshuai , Jin Saimeng , Liu Lei , Shen Weifeng 
Published: October 2021

AbstractElectrochemical reduction of carbon dioxide (CO2) to CO is a promising strategy. However, achieving high Faradaic efficiency with high current density using ionic liquid (IL) electrolyte remains a challenge. In this study, the new IL N‐octyltrimethyl ammonium 1,2,4‐triazole ([N1118][TRIZ]) shows outstanding performance for electrochemical reduction of CO2 to CO on the commercial Ag electrode, and the current density can be up to 50.8 mAcm−2 with a Faradaic efficiency of 90.6 %. The current density of CO is much higher than those reported in the IL electrolyte. In addition, the density functional theory (DFT) calculation further proved that [N1118][TRIZ] interact with CO2 to form [N1118]+[TRIZ‐CO2]− complex which played a key role in reducing the activation energy of CO2. The formation of [N1118]+[TRIZ‐CO2]− complex was verified by Fourier Transform Infrared (FTIR) spectroscopy. According to the molecular orbital theory, the electrons obtained from IL was filled in the anti‐bonding orbit (π*) of the CO2, resulting in reducing the C=O bond energy. This work provides a new strategy to design novel ILs for high efficiency electrochemical reduction of CO2 to CO.
Ionic Sieving Through One‐Atom‐Thick 2D Material Enables Analog Nonvolatile Memory for Neuromorphic Computing
Authors: Nikam Revannath Dnyandeo , Lee Jongwon , Choi Wooseok , Banerjee Writam , Kwak Myonghoon , Yadav Manoj , Hwang Hyunsang 
Published: October 2021

AbstractThe first report on ion transport through atomic sieves of atomically thin 2D material is provided to solve critical limitations of electrochemical random‐access memory (ECRAM) devices. Conventional ECRAMs have random and localized ion migration paths; as a result, the analog switching efficiency is inadequate to perform in‐memory logic operations. Herein ion transport path scaled down to the one‐atom‐thick (≈0.33 nm) hexagonal boron nitride (hBN), and the ionic transport area is confined to a small pore (≈0.3 nm2) at the single‐hexagonal ring. One‐atom‐thick hBN has ion‐permeable pores at the center of each hexagonal ring due to weakened electron cloud and highly polarized B–N bond. The experimental evidence indicates that the activation energy barrier for H+ ion transport through single‐layer hBN is ≈0.51 eV. Benefiting from the controlled ionic sieving through single‐layer hBN, the ECRAMs exhibit superior nonvolatile analog switching with good memory retention and high endurance. The proposed approach enables atomically thin 2D material as an ion transport layer to regulate the switching of various ECRAM devices for artificial synaptic electronics.
Reorganization Energy upon Controlled Intermolecular Charge‐Transfer Reactions in Monolithically Integrated Nanodevices
Authors: Merces Leandro , Candiotto Graziâni , Ferro Letícia Mariê Minatogau , de Barros Anerise , Batista Carlos Vinícius Santos , Nawaz Ali , Riul Antonio , Capaz Rodrigo B. , Bufon Carlos César Bof 
Published: October 2021

AbstractIntermolecular electron‐transfer reactions are key processes in physics, chemistry, and biology. The electron‐transfer rates depend primarily on the system reorganization energy, that is, the energetic cost to rearrange each reactant and its surrounding environment when a charge is transferred. Despite the evident impact of electron‐transfer reactions on charge‐carrier hopping, well‐controlled electronic transport measurements using monolithically integrated electrochemical devices have not successfully measured the reorganization energies to this date. Here, it is shown that self‐rolling nanomembrane devices with strain‐engineered mechanical properties, on‐a‐chip monolithic integration, and multi‐environment operation features can overcome this challenge. The ongoing advances in nanomembrane‐origami technology allow to manufacture the nCap, a nanocapacitor platform, to perform molecular‐level charge transport characterization. Thereby, employing nCap, the copper‐phthalocyanine (CuPc) reorganization energy is probed, ≈0.93 eV, from temperature‐dependent measurements of CuPc nanometer‐thick films. Supporting the experimental findings, density functional theory calculations provide the atomistic picture of the measured CuPc charge‐transfer reaction. The experimental strategy demonstrated here is a consistent route towards determining the reorganization energy of a system formed by molecules monolithically integrated into electrochemical nanodevices.
Optimized design of fillet welds in RHS joints for EN 1993‐1‐8
Authors: Newcomb Benjamin , Tousignant Kyle 
Published: October 2021

AbstractISO 14346 permits fillet welds in rectangular hollow section (RHS) joints to be designed either (i) to develop the capacity of the connected brace or (ii) to resist the actual load(s) in the brace (i.e. as “fit‐for‐purpose”). However, no methods for design according to approach (ii) are given in the ISO or any European standard. In this paper, data from 41 weld‐critical tests on RHS gapped K, T, Y and X joints under brace axial load(s) are analysed to determine a reliable method for the design of fillet welds as “fit‐for‐purpose”. “Weld effective length” formulae are evaluated in conjunction with EN 1993‐1‐8 (directional and simplified methods) according to the standard procedure of EN 1990. A reliable method, based on ISO 14346, is proposed for calculating the design resistance of all‐around fillet welds in RHS gapped K, T, Y and X joints. Updates to the minimum fillet weld throat thicknesses required to develop the capacity of a connected RHS brace are also discussed.
Application of Rh(I)/Bicyclo[2.2.1]heptadiene Catalysts to the Enantioselective Synthesis of Chiral Amines
Authors: Cheng Yu‐Yi , Li Wei‐Sian , Wu Hsyueh‐Liang 
Published: October 2021

AbstractThe development of efficient synthetic methods for accessing enantioenriched α‐chiral amines is of great importance in the disciplines of medicinal and synthetic organic chemistry. Enantioselective Rh‐catalyzed 1,2‐addition reactions to activated imine derivatives are regarded as useful protocols for forming α‐chiral amines. This personal account outlines our efforts to develop chiral bicyclo[2.2.1]heptadiene ligands for Rh‐catalyzed asymmetric additions of various organoboron reagents to a wide range of imine derivatives. Transformations of the thus‐obtained adducts into known natural products or molecules of pharmaceutical importance serve to confirm their synthetic usefulness.
Short tail stories: the hirudin-like factors HLF6 and HLF7 of the Asian medicinal leech, Hirudinaria manillensis
Authors: Müller Christian , Eickelmann Chantal , Sponholz Dana , Hildebrandt Jan-Peter 
Published: October 2021

AbstractThe leech-derived hirudins and hirudin-like factors (HLFs) share a common molecule structure: a short N-terminus, a central globular domain, and an elongated C-terminal tail. All parts are important for function. HLF6 and HLF7 were identified in the Asian medicinal leech, Hirudinaria manillensis. The genes of both factors encode putative splice variants that differ in length and composition of their respective C-terminal tails. In either case, the tails are considerably shorter compared to hirudins. Here we describe the functional analyses of the natural splice variants and of synthetic variants that comprise an altered N-terminus and/or a modified central globular domain. All natural splice variants of HLF6 and HLF7 display no detectable thrombin-inhibitory potency. In contrast, some synthetic variants effectively inhibit thrombin, even with tails as short as six amino acid residues in length. Our data indicate that size and composition of the C-terminal tail of hirudins and HLFs can vary in a great extent, yet the full protein may still retain the ability to inhibit thrombin.
Spatio-temporal analysis of the ‘last vestiges’ of endogenous cultural institutions: implications for Cameroon’s protected areas
Authors: Kimengsi Jude Ndzifon , Abam Chick Emil , Forje Gadinga Walter 
Published: October 2021

AbstractThe theoretical link between endogenous cultural institutions (ECIs) and the regulation of natural resource access and use in sub-Saharan Africa is re-gaining its position in theory and practice. This is partly explained by growing resource use inefficiency, linked to predominantly exogenous, centralized institutions. The current situation has rekindled interest to understand what is left of ECIs that can support natural resource use and management in several natural resource contexts, including protected areas. To provide answers to these questions, in-depth studies with a geographic orientation are required. Put succinctly, a spaio-temporal evidence base of ECIs around protected areas is relevant in today’s dispensation. Such evidence is required for rich natural resource and culturally diverse settings such as Cameroon—having over 250 ethnic groups. This paper explores space time dynamics of ECIs around two of Cameroon’s protected areas—Santchou and Bakossi landscapes. Specifically we: (i) identified and categorized ECIs linked to protected area management, (ii) analyzed their spatio-temporal dynamics and discuss their implications for protected area management. The study is informed by key informant interviews (N = 22) and focus group discussions (N = 6). Using descriptive statistics, the key resources around these protected areas were categorized. Furthermore, narratives and thematic analysis constituted the key element of qualitative analysis. In addition, an analysis of the spatial distribution of ECIs was conducted. Based on our analysis, we derived the following conclusions: (1) Institutions that assume an endogenous cultural nature in some communities potentially exhibit an exogenous origin with a perennial nature; while some ECIs may assume ephemeral to intermittent nature, despite being culturally embedded in communities. (2) While present day ECIs regulate the use of natural resources around protected areas, they were not initially set up for this purpose. (3) Even within the same ethnic group, ECIs exhibit spatio-temporal variations. The results suggest the need for Cameroon’s on-going revision of the legal framework to emphasize context-specific elements of ECI which could leverage protected area management.
Space mapping-based optimization with the macroscopic limit of interacting particle systems
Authors: Weißen Jennifer , Göttlich Simone , Totzeck Claudia 
Published: October 2021

AbstractWe propose a space mapping-based optimization algorithm for microscopic interacting particle dynamics which are infeasible for direct optimization. This is of relevance for example in applications with bounded domains for which the microscopic optimization is difficult. The space mapping algorithm exploits the relationship of the microscopic description of the interacting particle system and a corresponding macroscopic description as partial differential equation in the “many particle limit”. We validate the approach with the help of a toy problem that allows for direct optimization. Then we study the performance of the algorithm in two applications. A pedestrian flow is considered and the transportation of goods on a conveyor belt is optimized. The numerical results underline the feasibility of the proposed algorithm.
Roles, barriers and behavioral determinants related to community pharmacists' involvement in optimizing opioid therapy for chronic pain: a qualitative study
Authors: Alenezi Aziza , Yahyouche Asma , Paudyal Vibhu 
Published: October 2021

AbstractBackground Opioid are currently widely used to manage chronic non-malignant pain (CNMP), but there is a growing concern about harm resulting from opioid misuse and the need for medicine optimization, in which pharmacists could potentially play a key role. Objective This study explored pharmacists' roles, barriers and determinants related to their involvement in optimizing prescribed opioids for patients with chronic pain. Setting Community pharmacies in the United Kingdom. Method Semi-structured interviews based on the Theoretical Domains Framework were conducted between January and May 2020 with 20 community pharmacists recruited through professional networks. Data were analysed thematically. Main outcome measure: Pharmacists’ perceived roles, barriers and behavioural determinants in relation to opioid therapy optimization. Result Pharmacists demonstrated desire to contribute to opioid therapy optimization. However, they described that they were often challenged by the lack of relevant knowledge, skills and training, inadequate time and resources, systemic constraints (such as lack of access to medical records and information about diagnosis), and other barriers including relationships with doctors and patients. Conclusion The contribution of community pharmacists to optimize opioid therapy in CNMP is unclear and impeded by lack of appropriate training and systemic constraints. There is a need to develop innovative practice models by addressing the barriers identified in this study to enhance the contribution of community pharmacists in optimization of opioid therapy for chronic pain.
Effect of fungal endophytes on plant growth and nutrient uptake in Trifolium subterraneum and Poa pratensis as affected by plant host specificity
Authors: García-Latorre Carlos , Rodrigo Sara , Santamaria Oscar 
Published: October 2021

AbstractThe introduction of well-adapted species, such as Trifolium subterraneum (subclover) and Poa pratensis (Kentucky bluegrass), might enhance the forage yield and quality of dehesa pastures for feeding livestock. However, the climatic hardness and poor soils in these agrosystems may limit plant establishment and development. Since fungal endophytes have been found to alleviate the environmental stresses of their host, the aim of this study was to assess the effect of five isolates on forage yield, nutritive value, and plant mineral uptake after their inoculation in the two abovementioned plant species. Two experiments were established (under greenhouse and field conditions) using plants inoculated with two isolates in 2012/2013 (Epicoccum nigrum, Sporormiella intermedia) and three isolates in 2013/2014 (Mucor hiemalis, Fusarium equiseti, Byssochlamys spectabilis). Fusarium equiseti (E346) increased the herbage yield of T. subterraneum under greenhouse conditions, and B. spectabilis improved the forage quality of T. subterraneum by reducing fiber content and of P. pratensis by increasing crude protein. S. intermedia increased the mineral uptake of Ca, Cu, Mn, Pb, Tl, and Zn in subclover, and M. hiemalis increased the uptake of K and Sr in Kentucky bluegrass. These results evidence the potential of the studied fungal endophytes to enhance herbage yield and nutritional value of forage, although further studies should include all of the target forage species as certain host specificity in the effect was observed.
Development and validation of a 12-item version of the Barrett-Lennard Relationship Inventory (B-L RI:mini) using item response theory
Authors: Chen Shun , Liao Faith , Murphy David , Joseph Stephen 
Published: October 2021

AbstractThe Barrett-Lennard Relationship Inventory (B-L RI; Barrett-Lennard, (2015). The Relationship Inventory A Complete Resource and Guide. http://nbn-resolving.de/urn:nbn:de:101:1-201602103917) is the most widely used measure of the facilitative conditions described by Carl Rogers as important for constructive personality development in his person-centered theory. At with 64 items it is however time consuming for participants to complete, and even in its shorter form, the B-L RI is 40-items long. In order to improve its utility, a mini form of the B-L RI was developed. In study 1, we used item response theory to select 12 out of the full 64 items to form the B-L RI:mini based on their discrimination, difficulty, information, and measurement invariance across the English (n = 298), Chinese (n = 658), and Spanish (n = 330) language versions of the inventory. In study 2 (N = 362), we validated the reliability and validity of the new 12-item measure. It was found that the B-L RI:mini showed excellent total internal consistency, temporal stability, and construct validity. According to the results of the study, the B-L RI:mini maintains optimal psychometric properties with a small number of items. This scale is recommended for use in further studies.
Three‐Dimensional Analysis of Global Gravity Waves Based on COSMIC Multi‐Satellite Observations
Authors: Zeng Xuanyun , Peng Yu , Liu Si 
Published: October 2021

AbstractGravity waves (GWs) transport momentum and energy in the atmosphere, and it has become a difficult problem how to use satellites data to extract the horizontal parameters of GWs. We firstly applied the multi‐channel maximum entropy method to the temperature profile triples based on the favorable conditions of satellite flight between year 2006 and 2007 after COSMIC launch, and analyzed the three‐dimensional properties of GWs. The latitudinal and seasonal distribution of horizontal wavelengths of gravity waves were obtained. The momentum fluxes showed the maximum in the summertime subtropics and the wintertime high latitudes, which revealed possible convective sources in the summertime subtropics and mountain waves expected to occur in the winter jet region in the winter hemisphere high latitudes. The fluxes also showed the maximum at summer high latitudes, which were seldom reported.
Constraining the Range and Variation of Lithospheric Net Rotation Using Geodynamic Modeling
Authors: Atkins Suzanne , Coltice Nicolas 
Published: October 2021

AbstractLithospheric net rotation (LNR) is the movement of the lithosphere as a solid body with respect to the mantle. Separating the signal of LNR from plate tectonic motion is therefore an important factor in producing absolute plate motion models. Net rotation is difficult to constrain because of uncertainties in geological data and outstanding questions about the stability of the mantle plumes used as a reference frame. We use mantle convection simulations to investigate the controlling factors for the magnitude of LNR and to find the statistical predictability of LNR in a fully self‐consistent convective system. We find that high lateral viscosity variations are required to produce Earth‐like values of LNR. When the temperature dependence of viscosity is lower, and therefore slabs are softer, other factors such as the presence of continents and a viscosity gradient at the transition zone are also important for determining the magnitude of net rotation. We find that, as an emergent property of the chaotic mantle convection system, the evolution of LNR is too complicated to predict in our models. However, we find that the range of LNR within the simulations follows a Gaussian distribution, with a correlation time of 5 Myr. The LNR from the models needs to be sampled for around 50 Myr to produce a fully Gaussian distribution. This implies, that within the time frames considered for absolute plate motion reconstructions, LNR can be treated as a Gaussian variable. This provides a new geodynamic constraint for absolute plate motion reconstructions.