bluuebunny/crossref_metadata_2025_split huggingface dataset:
Entre décharge participative et État développeur : des élites rurales marocaines en quête de légitimité
Authors: Mayaux Pierre-Louis , Massot Audrey 
Published: September 2019

Cet article interroge la capacité des associations marocaines d’irrigants (AUEA) à renforcer la position sociale et politique locale de leurs dirigeants. Il se demande, en particulier, dans quelle mesure le leadership associatif confère aux dirigeants une légitimité procédurale particulière (throughput), fondée sur leur élection et sur leur capacité à représenter un collectif; en même temps qu’une légitimité par les résultats (outputs) liée à leur gestion efficace d’un service collectif très valorisé. Pour l’évaluer, nous étudions le processus d’aménagement, toujours en cours, d’un périmètre irrigué de taille réduire (300 hectares) situé dans l’arrière-pays de Casablanca. Le projet semble en effet propice à cette double légitimation : d’une part, l’association d’irrigants est l’une des rares de la région, ce qui pourrait offrir à ses dirigeants une légitimité procédurale distinctive; d’autre part, leur légitimité par les résultats pourrait être soutenue par le caractère innovant du projet, l’eau d’irrigation provenant d’une station de traitement des eaux usées urbaines. Malgré ces conditions favorables, nous montrons que les dirigeants associatifs ont plutôt vu jusqu’à présent leur légitimité fragilisée, tant du fait de la forte hétérogénéité du collectif à représenter que des multiples délais entourant la fourniture du service. Au-delà de facteurs circonstanciels, nous pointons une cause structurelle à ces difficultés : la désarticulation entre un processus ancien de décharge participative, qui se poursuit, et la réaffirmation actuelle d’un État développeur qui centralise les décisions et concentre les ressources.
Consequence of Groundwater Irrigation on Physico-chemical Properties of Soils of Kanholibara Village in Nagpur District, Maharashtra, India
Authors: Ingle Sagar N. , Babhulkar V. P. , Girdekar Shubham B. , Sarkate S. K. 
Published: September 2019

A field experiment entitled “Effect of Groundwater irrigation on various soil properties of Kanholi-Bara in Nagpur District Was conducted during Kharif season of 2015-2016 at Kanholi-Bara of Hingana tahsil in Nagpur District Maharashtra, India. The soil samples were collected from that area comprises two source of irrigations viz well water and bore well water and soybean crop which were taken in these fields. The mean value of pH 7.79 was recorded with ground water irrigation and EC in groundwater irrigated soil 0.81 dS m-1.The organic carbon contains in ground water irrigated soil with high Sodium Absorption Ratio (SAR) and Residual Sodium Carbonate (RSC) was lower by 35.19 per cent less than mean value of organic carbon. The lowest available nitrogen, phosphorus and potassium status were 185.44, 15.65 and 178.80 kg ha-1 respectively were obtained with the application of ground water of high RSC and SAR. Whereas the highest accumulation of heavy metal in soil 1.16 mg kg-1 lead, 1.30 mg kg-1 Cobalt, 1.19 mg Kg-1Nikel and 0.037 mg kg-1 Cadmium were present in soil with the application of high SAR and RSC irrigation water. Due to continuous and injudicious irrigation with poor quality groundwater adversely affect the physical and chemical properties of soil.
Closed fumarase C active‐site structures reveal SS Loop residue contribution in catalysis
Authors: Stuttgen Gage M. , Grosskopf Julian D. , Berger Colton R. , May John F. , Bhattacharyya Basudeb , Weaver Todd M. 
Published: September 2019

Fumarase C (FumC) catalyzes the reversible conversion of fumarate to S‐malate. Previous structural investigations within the superfamily have reported a dynamic structural segment, termed the SS Loop. To date, active‐site asymmetry has raised the question of how SS Loop placement affects participation of key residues during the reaction. Herein, we report structural and kinetic analyses from Escherichia coli FumC variants to understand the contribution of SS Loop residues S318, K324, and N326. High‐resolution X‐ray crystallographic results reveal three distinct FumC active‐site conformations; disordered‐open, ordered‐open, and the newly discovered ordered‐closed. Surprisingly, each SS Loop variant has unaffected Michaelis constants coupled to reductions in turnover number. Based upon our structural and functional analyses, we propose structural and catalytic roles for each of the aforementioned residues.
Chasing the “Killer” Phonon Mode for the Rational Design of Low‐Disorder, High‐Mobility Molecular Semiconductors
Authors: Schweicher Guillaume , D'Avino Gabriele , Ruggiero Michael T. , Harkin David J. , Broch Katharina , Venkateshvaran Deepak , Liu Guoming , Richard Audrey , Ruzié Christian , Armstrong Jeff , Kennedy Alan R. , Shankland Kenneth , Takimiya Kazuo , Geerts Yves H. , Zeitler J. Axel , Fratini Simone , Sirringhaus Henning 
Published: September 2019

AbstractMolecular vibrations play a critical role in the charge transport properties of weakly van der Waals bonded organic semiconductors. To understand which specific phonon modes contribute most strongly to the electron–phonon coupling and ensuing thermal energetic disorder in some of the most widely studied high‐mobility molecular semiconductors, state‐of‐the‐art quantum mechanical simulations of the vibrational modes and the ensuing electron–phonon coupling constants are combined with experimental measurements of the low‐frequency vibrations using inelastic neutron scattering and terahertz time‐domain spectroscopy. In this way, the long‐axis sliding motion is identified as a “killer” phonon mode, which in some molecules contributes more than 80% to the total thermal disorder. Based on this insight, a way to rationalize mobility trends between different materials and derive important molecular design guidelines for new high‐mobility molecular semiconductors is suggested.
Li–CO2 and Na–CO2 Batteries: Toward Greener and Sustainable Electrical Energy Storage
Authors: Mu Xiaowei , Pan Hui , He Ping , Zhou Haoshen 
Published: September 2019

AbstractMetal–CO2 batteries, especially Li–CO2 and Na–CO2 batteries, offer a novel and attractive strategy for CO2 capture as well as energy conversion and storage with high specific energy densities. However, some scientific issues and challenges existing restrict their practical applications. Here, recent progress of crucial reaction mechanisms on cathodes in Li–CO2 and Na–CO2 batteries are summarized. The detailed reaction pathways can be modified by operation conditions, electrolyte compositions, and catalysts. Besides, specific discussions from aspects of catalyst design, stability of electrolytes, and anode protection are presented. Perspectives of several innovative directions are also put forward. This review provides an intensive understanding of Li–CO2 and Na–CO2 batteries and gives a useful guideline for the practical development of metal–CO2 batteries and even metal–air batteries.
Direct Synthesis of a Self‐Assembled WSe2/MoS2 Heterostructure Array and its Optoelectrical Properties
Authors: Lee Jae‐Bok , Lim Yi Rang , Katiyar Ajit K. , Song Wooseok , Lim Jongsun , Bae Sukang , Kim Tae‐Wook , Lee Seoung‐Ki , Ahn Jong‐Hyun 
Published: September 2019

AbstractFunctional van der Waals heterojunctions of transition metal dichalcogenides are emerging as a potential candidate for the basis of next‐generation logic devices and optoelectronics. However, the complexity of synthesis processes so far has delayed the successful integration of the heterostructure device array within a large scale, which is necessary for practical applications. Here, a direct synthesis method is introduced to fabricate an array of self‐assembled WSe2/MoS2 heterostructures through facile solution‐based directional precipitation. By manipulating the internal convection flow (i.e., Marangoni flow) of the solution, the WSe2 wires are selectively stacked over the MoS2 wires at a specific angle, which enables the formation of parallel‐ and cross‐aligned heterostructures. The realized WSe2/MoS2‐based p–n heterojunction shows not only high rectification (ideality factor: 1.18) but also promising optoelectrical properties with a high responsivity of 5.39 A W−1 and response speed of 16 µs. As a feasible application, a WSe2/MoS2‐based photodiode array (10 × 10) is demonstrated, which proves that the photosensing system can detect the position and intensity of an external light source. The solution‐based growth of hierarchical structures with various alignments could offer a method for the further development of large‐area electronic and optoelectronic applications.
Ambient Synthesis of Single‐Atom Catalysts from Bulk Metal via Trapping of Atoms by Surface Dangling Bonds
Authors: Qu Yunteng , Wang Liguang , Li Zhijun , Li Peng , Zhang Qinghua , Lin Yue , Zhou Fangyao , Wang Huijuan , Yang Zhengkun , Hu Yidong , Zhu Mengzhao , Zhao Xuyan , Han Xiao , Wang Chengming , Xu Qian , Gu Lin , Luo Jun , Zheng Lirong , Wu Yuen 
Published: September 2019

AbstractSingle‐atom catalysts (SACs) feature the maximum atom economy and superior performance for various catalysis fields, attracting tremendous attention in materials science. However, conventional synthesis of SACs involves high energy consumption at high temperature, complicated procedures, a massive waste of metal species, and poor yields, greatly impeding their development. Herein, a facile dangling bond trapping strategy to construct SACs under ambient conditions from easily accessible bulk metals (such as Fe, Co, Ni, and Cu) is presented. When mixing graphene oxide (GO) slurry with metal foam and drying in ambient conditions, the M0 would transfer electrons to the dangling oxygen groups on GO, obtaining Mδ+ (0 < δ < 3) species. Meanwhile, Mδ+ coordinates with the surface oxygen dangling bonds of GO to form MO bonds. Subsequently, the metal atoms are pulled out of the metal foam by the MO bonds under the assistance of sonication to give M SAs/GO materials. This synthesis at room temperature from bulk metals provides a versatile platform for facile and low‐cost fabrication of SACs, crucial for their mass production and practical application in diverse industrial reactions.
Encapsulating Carbon‐Coated MoS2 Nanosheets within a Nitrogen‐Doped Graphene Network for High‐Performance Potassium‐Ion Storage
Authors: Zhang Jingyuan , Cui Peixin , Gu Ying , Wu Dajun , Tao Shi , Qian Bin , Chu Wangsheng , Song Li 
Published: September 2019

AbstractPotassium‐ion batteries are emerging as promising candidates for grid energy storage systems because of the abundant potassium resources and high potential. However, the discovery and development of suitable anode materials are far from the demands. Herein, ultrafine carbon‐coated MoS2 (MoS2/C) nanosheets encapsulated by a nitrogen‐doped graphene network (MoS2/C@NDG) via a simple hydrothermal method are presented. The as‐prepared MoS2/C@NDG demonstrates superior rate capability of 176.6 mAh g‐1 at a high current density of 2000 mA g‐1, and still remains 220.7 mAh g‐1 at 1000 mA g‐1 after 150 cycles. The excellent electrochemical performance can be attributed to the dual carbon encapsulated nanostructure and ultrafine 2D MoS2 nanosheet architecture, resulting in enhanced electronic conductivity, fast K+‐ion diffusion, and improved pseudocapacitive behavior during the depotassiation and potassiation process. Ex situ XRD and XAFS analysis reveals the K+‐storage mechanism with potassium intercalation and conversion reaction, and demonstrates the high reversibility for the local structure of MoS2/C@NDG. This work paves the way for constructing advanced high‐performance anode materials of rechargeable PIBs.
Does sexual dimorphism exist in flowering phenology traits in anemophilous dioecious species? A test with Rumex acetosa
Authors: Matsuhisa Seiko , Ushimaru Atushi 
Published: September 2019

PremiseSexual dimorphism in flowering phenology traits may have evolved under sexual selection and vector‐mediated selection. The conspicuous sexual dimorphism and sex‐specific selection pressures in flowering phenology traits have been investigated mainly in entomophilous dioecious plants, whereas little is known about this in anemophilous plants.MethodsWe examined sexual dimorphism in flowering onset, flowering peak, flowering duration, maximum proportion of open flowers per inflorescence branch, maximum proportion of newly opening flowers on a given date per branch, and longevity of individual flowers in natural Rumex acetosa populations. Correlations between flowering phenology traits and the degree of flowering overlap with the opposite sex were examined. We also tested whether the overlap of female flowering with male flowering enhanced seed set in female plants.ResultsLittle sexual dimorphism was observed in flowering onset, peak, duration, and maximum proportion of newly opening flowers. Females had greater floral longevity and greater maximum proportion of open flowers than males. Flowering overlap with the opposite sex significantly increased with the maximum proportion of newly opening flowers and decreased with temporal deviation in the flowering peak in both sexes. Females with greater flowering overlap with males set more seeds in two of the three study populations.ConclusionsIn wind‐pollinated R. acetosa, little sexual dimorphism in phenological traits may have evolved to achieve synchronous flowering with the opposite sex. Our results suggest that, in angiosperms, not only common selection but also anemophily‐specific selection may shape little sexual dimorphism in R. acetosa, unlike in entomophilous plants.
Rhodium(I) Pincer Complexes of Nitrous Oxide
Authors: Gyton Matthew R. , Leforestier Baptiste , Chaplin Adrian B. 
Published: September 2019

AbstractThe synthesis of two well‐defined rhodium(I) complexes of nitrous oxide (N2O) is reported. These normally elusive adducts are stable in the solid state and persist in solution at ambient temperature, enabling comprehensive structural interrogation by 15N NMR and IR spectroscopy, and single‐crystal X‐ray diffraction. These methods evidence coordination of N2O through the terminal nitrogen atom in a linear fashion and are supplemented by a computational energy decomposition analysis, which provides further insights into the nature of the Rh–N2O interaction.
Endowing g‐C3N4 Membranes with Superior Permeability and Stability by Using Acid Spacers
Authors: Ran Jin , Pan Ting , Wu Yuying , Chu Chengquan , Cui Peng , Zhang Pengpeng , Ai Xinyu , Fu Cen‐Feng , Yang Zhengjin , Xu Tongwen 
Published: September 2019

Abstractg‐C3N4 membranes were modulated by intercalating molecules with SO3H and benzene moieties between layers. The intercalation molecules break up the tightly stacking structure of g‐C3N4 laminates successfully and accordingly the modified g‐C3N4 membranes give rise to two orders magnitude higher water permeances without sacrificing the separation efficiency. The sulfonated poly(2,6‐dimethyl‐1,4‐phenylene oxide) (SPPO)/g‐C3N4 with a thickness of 350 nm presents an exceptionally high water permeance of 8867 L h−1 m−2 bar−1 and 100 % rejection towards methyl blue, while the original g‐C3N4 membrane with a thickness of 226 nm only exhibits a permeance of 60 L h−1 m−2 bar−1. Simultaneously, SO3H sites firmly anchor nitrogen with base functionality distributing onto g‐C3N4 through acid–base interactions. This enables the nanochannels of g‐C3N4 based membranes to be stabilized in acid, basic, and also high‐pressure environments for long periods.
Effect of Intermolecular Interactions on Metal‐to‐Metal Charge Transfer: A Combined Experimental and Theoretical Investigation
Authors: Jiao Cheng‐Qi , Meng Yin‐Shan , Yu Yang , Jiang Wen‐Jing , Wen Wen , Oshio Hiroki , Luo Yi , Duan Chun‐Ying , Liu Tao 
Published: September 2019

AbstractUnderstanding the effects of intermolecular interactions on metal‐to‐metal charge transfer (MMCT) is crucial to develop molecular devices by grafting MMCT‐based molecular arrays. Herein, we report a series of solvent‐free {Fe2Co2} compounds sharing the same cationic tetranuclear {[Fe(PzTp)(CN)3]2[Co(dpq)2]2}2+ (PzTp−=tetrakis(pyrazolyl)borate, dpq=dipyrido[3,2‐d:2′,3′‐f]quinoxaline) square units but having anions with different size, including BF4−, PF6−, OTf−, and [Fe(PzTp)(CN)3]−. Intermolecular π⋅⋅⋅π interactions between dpq ligands, which coordinate to cobalt ions in the {[Fe(PzTp)(CN)3]2[Co(dpq)2]2}2+ units, can be modulated by introducing different counterions, regulating the distortion of the CoN6 octahedron and ligand field around the cobalt ions. This change results in different MMCT behavior. Computational analyzes reveal the substantial role of the intermolecular interactions tuned by the presence of different counteranions on the MMCT behavior.
Hooking Together Sigmoidal Monomers into Supramolecular Polymers
Authors: Carini Marco , Marongiu Mauro , Strutyński Karol , Saeki Akinori , Melle‐Franco Manuel , Mateo‐Alonso Aurelio 
Published: September 2019

AbstractSupramolecular polymers show great potential in the development of new materials because of their inherent recyclability and their self‐healing and stimuli‐responsive properties. Supramolecular conductive polymers are generally obtained by the assembly of individual aromatic molecules into columnar arrays that provide an optimal channel for electronic transport. A new approach is reported to prepare supramolecular polymers by hooking together sigmoidal monomers into 1D arrays of π‐stacked anthracene and acridine units, which gives rise to micrometer‐sized fibrils that show pseudoconductivities in line with other conducting materials. This approach paves the way for the design of new supramolecular polymers constituted by acene derivatives with enhanced excitonic and electronic transporting properties.
Titanium(III)‐Catalyzed Reductive Decyanation of Geminal Dinitriles by a Non‐Free‐Radical Mechanism
Authors: Weweler Jens , Younas Sara L. , Streuff Jan 
Published: September 2019

AbstractA titanium‐catalyzed mono‐decyanation of geminal dinitriles is reported. The reaction proceeds under mild conditions, tolerates numerous functional groups, and can be applied to quaternary malononitriles. A corresponding desulfonylation is demonstrated as well. Mechanistic experiments support a catalyst‐controlled cleavage without the formation of free radicals, which is in sharp contrast to traditional stoichiometric radical decyanations. The involvement of two TiIII species in the C−C cleavage is proposed, and the beneficial role of added ZnCl2 and 2,4,6‐collidine hydrochloride is investigated.
DNA interaction, cytotoxicity and molecular structure of cobalt complex of 4‐amino‐N‐(6‐chloropyridazin‐3‐yl)benzene sulfonamide in the presence of secondary ligand pyridine
Authors: Pandya Sachin B. , Patel Urmila H. , Chaudhary Kaushik P. , Socha Bhavesh N. , Patel Nikita J. , Bhatt Bhupesh S. 
Published: September 2019

Novel cobalt complex of 4‐amino‐N‐(6‐chloropyridazin‐3‐yl)benzene sulfonamide (sulfachloropyridazine) has been synthesized and characterized by elemental analysis, FT‐IR spectroscopy and magnetic susceptibility (VSM). Cobalt complex of Sulfachloropyridazine (Co‐SCP) crystallized in monoclinic space group P21/n with Z = 4. The structure is solved by direct method and refined to R = 0.099 for 4720 reflections with I ⩾4σ(I). The results of FT‐IR spectra suggest the binding of cobalt atom to the sulfonamide ligand which is in agreement with the crystal structure determination. In crystal structure, molecule is linked via, C‐H … π, C‐Cl … π and π … π intermolecular interactions. The computational studies like the optimization energy and root means square deviation compare with single crystal structure, frontier molecular orbital (Homo‐Lumo energy) and binding energy of the Co‐SCP has been carried out using DFT/B3LYP level of theory in gaseous phase. Hirshfeld surfaces and the 2D‐fingerprint analysis are performed to study the nature of interactions and their measurable contributions towards crystal packing. The interaction of the complex with DNA is investigated using viscosity measurement and absorption titration studies. The result shows the complex bind to DNA with intercalative mode with high DNA‐binding constant (Kb). Also, in vivo and in vitro cytotoxic studies are performed using S. pombe cells and brine shrimp lethality bioassay. DNA‐cleavage study shows better cleaving ability of the complex.
Biodegradable superabsorbent hydrogel for water holding in soil and controlled‐release fertilizer
Authors: Sarmah Dimpee , Karak Niranjan 
Published: September 2019

ABSTRACTThe bio‐based environment‐friendly functional polymers are the most desired materials for the society. Thus, a superabsorbent hydrogel (SAH) of starch‐modified poly(acrylic acid) was reported and the concentrations of reactants, initiators, and crosslinkers were optimized to achieve the highest water absorption (>700 g/g). The chemical structure of SAH was supported by solid‐state 13C nuclear magnetic resonance and Fourier‐transform infrared spectroscopic studies. The hydrogels were found to be biodegradable and possess high water absorption capacity. After the addition of 0.25% of the hydrogel, water‐holding capacity of the soil was enhanced by 120%. Significant effect was also observed on bulk density and porosity of the soil after the addition of SAH. Furthermore, urea‐encapsulated SAH can be used as a controlled release fertilizer for crops, as indicated by a preliminary study on the growth rate of chick pea (Cicer arietinum) plant. Thus, SAH has the potential to be used as a controlled‐release carrier and water‐conserving agent in different fields. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2020, 137, 48495.
Hydrodynamics and dynamic capacity of cryogels produced with different monomer compositions
Authors: Chaves Gabriel Luz , Mól Paula Chequer Gouveia , Minim Valéria Paula Rodrigues , Minim Luis Antonio 
Published: September 2019

ABSTRACTCryogels have received great attention in the area of bioseparation due to their characteristic of very large and interconnected pores. These materials allow rapid isolation of various biomolecules and permit that chromatographic processes are carried out at high flow rates. Nevertheless, studies regarding the effect of monomer concentration on the hydrodynamics and dynamic capacity of cryogels are scarce. In this study, supermacroporous polyacrylamide cryogels with different monomer and crosslinker concentrations were produced by cryopolymerization and activated with tris(hydroxymethyl)aminomethane. Porosity and permeability were determined and it was observed that these parameters changed with different monomer concentrations, indicating changes in the structure of the cryogels. Residence time distribution experiments were conducted at different flow rates and different mobile phase viscosities. As a function of composition of the cryogels, the axial dispersion increased and the flow pattern deviated considerably from the ideal plug flow model. For cryogels with lower crosslinker content, the effect of the mobile phase viscosity was more evident. The monomer composition changed the dispersion number and height equivalent to one theoretical plate, resulting in an impact on the adsorption capacity of the cryogel. Consequently, proper monomer and crosslinker concentrations may produce cryogels with suitable performance. © 2019 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2020, 137, 48507.