bluuebunny/crossref_metadata_2025_split huggingface dataset:
Low‐Frequency Electronic Noise in Quasi‐2D van der Waals Antiferromagnetic Semiconductor FePS3—Signatures of Phase Transitions
Authors: Ghosh Subhajit , Kargar Fariborz , Mohammadzadeh Amirmahdi , Rumyantsev Sergey , Balandin Alexander A. 
Published: September 2021

AbstractLow‐frequency current fluctuations, i.e., noise, in the quasi‐2D van der Waals antiferromagnetic semiconductor FePS3 with the electronic bandgap of 1.5 eV is investigated. The electrical and noise characteristics of the p‐type, highly resistive, thin films of FePS3 are measured at different temperatures. The noise spectral density is of the 1/f‐type over most of the examined temperature range but reveals well‐defined Lorentzian bulges, and increases strongly near the Néel temperature TN = 118 K (f is the frequency). Intriguingly, the noise spectral density attains its minimum at temperature T ≈ 200 K, which is attributed to an interplay of two opposite trends in noise scaling—one for semiconductors and another for materials with the phase transitions. The Lorentzian corner frequencies reveal unusual dependence on temperature and bias voltage, suggesting that their origin is different from the generation—recombination noise in conventional semiconductors. The obtained results are important for proposed applications of antiferromagnetic semiconductors in spintronic devices. They also attest to the power of the noise spectroscopy for monitoring various phase transitions.
“d‐Electron Complementation” Induced V‐Co Phosphide for Efficient Overall Water Splitting
Authors: Zhang Rui , Wei Zhenhua , Ye Gaoyang , Chen Guanjie , Miao Jiaojiao , Zhou Xuehua , Zhu Xiangwei , Cao Xiaoqun , Sun Xiangnan 
Published: September 2021

AbstractTo generate “green hydrogen,” electrochemical water splitting is regarded as the most promising method, which requires highly efficient bifunctional electrocatalysts to accelerate the hydrogen and oxygen evolution reactions (HER and OER). Herein, a “d‐electron complementation” principle to develop such candidates is proposed. By taking advantage of the filling characteristics of 3d orbitals, vanadium‐cobalt phosphide (V‐CoP) is synthesized. According to X‐ray absorption fine structure and X‐ray photoelectron spectroscopy investigation, V can disorder the coordination environment of Co, leading to increased/decreased charge density in Co(P)/Co(O). As a result, V‐CoP shows impressive bifunctional activity, which only needs overpotentials of 46 and 267 mV to deliver 10 mA cm−2 for the HER and OER, respectively. Density functional theory calculations reveal that the accelerated H2O dissociation process on the VOx/CoOx/CoP surface and H conversion kinetics on the V‐neighboring CoCo bridge site result in promoted HER activity. Furthermore, the up‐shifted d‐band center of V‐CoOOH endows the V‐neighboring Co site with a lowered energy barrier for the OER. This work serves as a proof‐of‐concept for the application of the “d‐electron complementation” principle, which can be a generalized guideline to design and develop novel highly efficient catalysts.
Seasonal farm labor and COVID‐19 spread
Authors: Charlton Diane 
Published: September 2021

AbstractThe COVID‐19 pandemic in 2020 caused unprecedented shocks to agricultural food systems, including increased risk to worker health, labor‐related input costs, and production uncertainty. Despite employer precautions, there were numerous worksite outbreaks of COVID‐19. This paper examines the relationship between month‐to‐month variation in historical agricultural employment and changes in the incidence of confirmed COVID‐19 cases and deaths within U.S. counties from April to August 2020. The results show that employment of 100 additional workers in fruit, vegetable, and horticultural production was associated with 4.5% more COVID‐19 cases within counties or an additional 18.65 COVID‐19 cases and 0.34 additional COVID‐19 deaths per 100,000 individuals in the county workforce.
Profitability of twin‐row planting and skip‐row irrigation in a humid climate
Authors: Quintana‐Ashwell Nicolas , Anapalli Saseendran S. , Pinnamaneni Srinivasa R. , Kaur Gurpreet , Reddy Krishna N. , Fisher Daniel 
Published: September 2021

AbstractWe assessed the potential profitability of twin‐row (TR) planting geometry as a water productivity‐enhancing practice and of skip‐row irrigation (SRI) as a water‐conserving practice in furrow‐irrigated cotton (Gossypium hirsutumL.) and soybean (Glycine maxL.). Data from agronomic experiments carried on Dundee silt loam soils indicate that, on average, TR planting increases profitability by US$344 ha−1for all‐row irrigated (ARI), $401 ha−1for SRI, and $334 ha−1for rainfed (RF) cotton. For soybean, the gains were $178 ha−1for ARI irrigated, $178 ha−1for SRI, and $121 ha−1for RF. Converting from ARI to SRI irrigation can conserve 88 mm of irrigation water on average for cotton and 91 mm of irrigation water on average for soybean, while improving cotton profits by $55–113 ha−1. Soybean growers can expect a reduction in profits from SRI of ∼$11 ha−1. Incentive payment for soybean growers of ∼$0.132 mm−1of saved water would compensate farmers for the expected losses of adopting SRI in the Delta of Mississippi.
High‐cut harvesting of maize stover and genotype choice can provide improved feed for ruminants and stubble for conservation agriculture
Authors: Dejene Mesfin , Dixon Rob M. , Walsh Kerry B. , McNeill David , Seyoum Solomon , Duncan Alan J. 
Published: September 2021

AbstractIn smallholder crop–livestock systems where maize (Zea mays L.) is a staple cereal, the stover is usually an important but low‐quality ruminant feed. Maize stover has various competing uses, and optimal allocation of stover, particularly for forage and mulch, is essential for improving whole‐farm productivity and sustainability. Knowledge that feed quality increases with height in maize stover provides opportunities. An experiment investigated the effects of a high cutting height of stover at grain harvest (cut at two internodes below the lowest ear) on the yields and feed quality of the upper and lower stover (stubble) fractions. Measurements were made on six maize genotypes at two sites during two cropping seasons in Ethiopia. The upper stover fraction (USF) on average comprised 674 g kg–1 of the entire stover and was also substantially higher (P < .001) than the lower stover fraction (LSF) in in vitro dry matter digestibility (527 vs. 450 g kg−1 dry matter [DM]) and total N concentrations (8.8 vs. 6.2 g kg−1 DM) and was lower in fiber. Stems (including leaf sheath and tassel), husks (including shank), and leaf blade comprised 484, 310, and 206 g kg−1 of the USF, respectively. Yields and feed quality of stover varied among genotypes and environments. Use of an USF can provide a feedstuff of increased nutritional quality for ruminants, but the efficacy of the LSF for mulch requires investigation. In conclusion, a simple management change to harvest maize stover at higher stubble height combined with use of appropriate genotypes can provide higher‐quality feed while leaving stubble for conservation agriculture.
Aggregation‐induced emission of copper nanoclusters
Authors: Shi Yu‐e , Ma Jinzhu , Feng Anrui , Wang Zhenguang , Rogach Andrey L. 
Published: September 2021

AbstractCopper nanoclusters (Cu NCs) have recently emerged as promising luminophores, featuring ultra‐small size, reasonable photostability, large Stokes shift, and long emission lifetimes. Aggregation‐induced emission (AIE) has been often used to further improve both the emission intensity and stability of these clusters, with plenty of potential applications in the fields of chemical sensing and bioimaging. This review starts with a summary of the current understanding of emission mechanisms of Cu NCs and proceeds with the analysis of contributions from the Cu metal core and the organic ligands. We summarize the recent research progress on the design of ligands, and the ways on how to induce aggregation of the Cu NCs through electrostatic charge neutralization, host‐guest interactions, and the use of templates. We also discuss the current understanding of emission mechanisms of Cu NCs experiencing AIE, such as the often‐cited restriction of intramolecular motion and contributions from Cu(I) molecular complexes. We finish this review by providing concluding remarks and offering our own perspective on the active field of AIE of Cu NCs, with a hope to further promote the research on the fundamental aspects of this useful phenomenon.
Reversible ion binding for polyelectrolytes with adaptive conformations
Authors: Friedowitz Sean , Qin Jian 
Published: September 2021

AbstractPolyelectrolytes may adopt rod‐ or coil‐like conformations depending on the strength of intrachain repulsion and the effective charge density. The charge density of polyelectrolytes is influenced not only by the binding of small ions, but also by the binding with oppositely charged chains. We introduce a coupled variational approach that treats reversible ion binding, adaptive chain structure, and electrostatic correlations simultaneously. This approach captures the swelling and deswelling of single polyelectrolyte chains, and the competition between interchain cross‐linking and ion binding in mixtures of polyelectrolytes. Applying our theory to study polyelectrolyte coacervation, we identify two distinct regimes. In the weak binding regime, the charge density is high and the solution properties are dependent on the conformations of polyelectrolytes. In the strong binding regime, this dependence is weakened and the solution thermodynamics are dominated by the short‐range ion‐binding equilibrium.
Structure and hydrogen bonds of hydrophobic deep eutectic solvent‐aqueous liquid–liquid interfaces
Authors: Abbas Usman L. , Qiao Qi , Nguyen Manh Tien , Shi Jian , Shao Qing 
Published: September 2021

AbstractHydrophobic deep eutectic solvents (DESs) emerge as candidates to extract organic substrates from aqueous solutions. The DES‐aqueous liquid–liquid interface plays a vital role in the extraction ability of DESs because the nonbulk structure of interfacial molecules could cause thermodynamic and kinetic barriers. One question is how the DES compositions affect the structural features of the interface. We investigate the density profile, dipole moment, and hydrogen bonds of eight hydrophobic DES‐aqueous interfaces using molecular dynamics simulations. The eight DESs are composed of four organic compounds: decanoic acid, menthol, thymol, and lidocaine. The results show the variations of dipole moment and hydrogen bond structure and dynamics at the interfaces. These variations could influence the extraction ability of DES through adjusting the partition and kinetics of organic substrates in the DES‐aqueous biphasic systems. We also analyze the relationship between the variation of these interfacial features and the size and hydrophobicity of DES components.
The first post‐natal clinical description of true mosaic complete tetrasomy 21: A case report
Authors: Johnson Desalyn Louise , Abdala Villa Caterina , Lustig Matthew C. , Robin Nathaniel H. 
Published: September 2021

AbstractTetrasomy 21 is a rare occurrence. Only 14 cases have been reported in the literature, 8 of which are partial tetrasomy cases and 6 which are complete tetrasomy cases. Of the incidences, no proband with true complete tetrasomy 21 has survived the neonatal period. We report complete mosaic tetrasomy 21 in a female infant with the typical Down syndrome phenotype, including Hirschsprung's disease and atrioventricular (AV) canal defect. This is in contrast to cases of partial tetrasomy 21, which often have an atypical trisomy 21 presentation and multiple nonspecific traits, including short stature, microcephaly, and developmental delays. This case demonstrates the difference in clinical presentation between the partial and complete subtype of tetrasomy 21 and provides the first postnatal clinical picture of an infant with true mosaic complete tetrasomy 21.
Tetrahedral [Sb(AuMe)4]3− Occurring in Multimetallic Cluster Syntheses: About the Structure‐Directing Role of Methyl Groups
Authors: Pan Fuxing , Lukanowski Marcel , Weigend Florian , Dehnen Stefanie 
Published: September 2021

AbstractThe anion of [K(crypt‐222)]3[Sb(AuMe)4]⋅py (1; crypt‐222=4,7,13,16,21,24‐hexaoxa‐1,10‐diazabicyclo[8.8.8]hexacosane; py=pyridine) represents a rare example of a homoleptic heavy p‐block metal atom being surrounded by four free‐standing transition metal complex fragments, and the third example for a corresponding Sb compound. In contrast to all reported complexes of this type, the transition metal atoms possess twofold coordination only, hence the complex as a whole does not exhibit significant steric shielding or further linkage of the metal atoms. This is reflected in a high flexibility, as confirmed by slight deviations from a tetrahedral coordination of the Sb atom in the crystal and soft vibrational modes. An alternative pyramidal conformer, observed for a related arsenic compound with terminal phosphine ligands, is apparently disfavored owing to electron correlation effects. The compound is formed in a reaction that in another solvent or at other reactant concentrations yields salts of ternary cluster anions. By a combined experimental and theoretical study of different reaction conditions and previously unidentified side‐products, we provide insight into multimetallic cluster synthesis reactions.
Cryptomelane nanorods coated with Ni ion doped Birnessite polymorphs as bifunctional efficient catalyst for the oxygen evolution reaction and degradation of organic contaminants
Authors: Gürbüz Mustafa Ulvi , Elmacı Gökhan , Zhang Yajun , Meng Xu , Ertürk Ali Serol 
Published: September 2021

AbstractThe intelligent design or development of dual‐functional catalysts using non‐precious metals especially for the oxygen evolution reaction (OER) in sustainable energy systems and degradation of organic pollutants is still a difficult and a significant challenge. Furthermore, the development of these catalysts is of great importance in terms of energy security and solution of the environmental problems. To meet these requirements, herein, we describe the synthesis of a Ni‐ion doped Birnessite@Cryptomelane (Ni2+/B@Cr) hybrid structure as a bifunctional efficient catalyst for the OER in neutral media and degradation of dye pollutants. The Ni2+/B@Cr catalyst exhibited a sharp onset potential at 390 mV (vs. RHE) and achieved a current density of 1 mA cm−2 at a low ƞ of 430 mV with a Tafel slope of ~96 mV dec−1. The results of electrochemical impedance spectroscopy (EIS) studies indicated that Ni intercalation into birnessite layer and heterostructure of the hybrid electrocatalyst Ni2+/B@Cr increased the conductivity by lowering the resistance of charge transfer (Rct = 4.82 Ω) and oxygen evolution processes (ROER = 4.13 Ω). The durability assay identified Ni2+/B@Cr as stable electrocatalyst with 10% loss of activity after long‐term stability tests (10 h, under 500‐mV overpotential). In addition, the Ni2+/B@Cr achieved high (86.67 s−1 g−1) and rapid (173 s) catalytic performance for the reduction of methylene blue (MB). Overall, this paper presents a low‐cost production strategy for the design of highly efficient bifunctional catalysts, offering boosted electrocatalytic and degradation performance for water oxidation and organic dye contamination, respectively.
High strength antibacterial membranes consisted of nanofibrous chitosan immobilized silver nanoparticles
Authors: Chen Zhiyu , Yuan Jiali , Yu Qinran , Luo Zhixin , Xie Cong , Zhang Kaiyuan , Tang Longxiang , Wang Huiqing 
Published: September 2021

AbstractChitosan (CS) has biocompatibility and biodegradability, but the bulk CS hydrogel/membranes with its poor strength and limited antibacterial property could not satisfy the practical application. Here green dissolving/regeneration and in situ reduction strategy was combined to construct high strength antibacterial CS membranes. First nanofibrous CS hydrogels were constructed through dissolving CS in LiOH/KOH/urea aqueous system via freezing–thawing process followed regeneration. Then, Ag NPs were immobilized along CS nanofibers through in situ reductions of Ag + by the NH2 group of CS. The obtained NCM‐Ag composite dry membranes are easy for storing and can quick switch to nanofibrous hydrogels as absorbing water. Size of Ag NPs can be controlled to very small until 2 nm by concentration and limited space network. Fourier transform infrared spectroscopy and X‐ray photoelectron spectrometer indicated the forceful grasp ability of CS nanofibers to Ag NPs for a stable binding, mechanical property was enhanced over 100Mpa as the nanofibrous structure and chain linked by Ag coordination. The NCM‐Ag membranes had excellent antibacterial activities against both Staphylococcus aureus and Escherichia coli. Moreover, such nanofibrous CS membrane exhibited good adhesive ability to tissues. Combining all these properties, NCM‐Ag membranes would be potential as antibacterial adhesion barrier to accelerate wound healing.
Smoldering suppression and synergistic effect of alginate fiber‐based composite paper by flame‐retardant lyocell fiber
Authors: Xu Kai , He Yaqi , Tian Xing , Wang Bingbing , Cao Ying , Wang Bin , Xia Yanzhi , Quan Fengyu 
Published: September 2021

AbstractThe application of traditional cellulosic paper is limited because of its flammability, so it is necessary to explore new materials that can be used in the field of flame‐retardant paper. Based on the synergistic effect between fibers, flame‐retardant lyocell (FRL) and calcium alginate (FRL/Ca‐Alg) composite paper is prepared by a simple but efficient method. The thermal degradation process of the composite paper is analyzed by thermogravimetric (TG) and TG analysis coupled with Fourier transform infrared, the flame retardancy of the composite paper is analyzed by vertical flammability (VF) tests, limiting oxygen index test and cone calorimetry test, and the morphology of the residue after VF tests is observed by scanning electron microscopy. It is found that, the Ca‐Alg releases a large amount of CO2 before ignited, which delayed the ignited time of the composite paper; FRL reduces the effective combustion heat of composite paper during combustion, and the compact char formed by FRL effectively inhibits the smoldering of Ca‐Alg in the end stage of combustion. Based on these, the synergistic flame‐retardant effect of composite paper is proposed.
Central composite design optimization for a controlled valsartan release from polycaprolactone microspheres
Authors: Sadoun‐Daikha Ounissa , González Rodríguez María Luisa , Azouz L' Hachemi , Rabasco Antonio M. , Rezgui Farouk 
Published: September 2021

AbstractThis investigation aimed to develop polycaprolactone (PCL) microspheres, which provide better control of valsartan release. Central composite experimental design (2‐factor, 3‐level) was used to study the effect of two independent variables, namely drug amount (X1) and organic phase volume (X2), on encapsulation efficiency (Y1) and particle size (Y2). The drug‐containing microspheres were prepared by a single emulsion solvent evaporation method and characterized by various techniques including high performance liquid chromatography, thermal analysis, X‐ray diffraction analysis, scanning electron microscopy, and particle size analysis. The optimum conditions found by the quadratic models were yielded microspheres with an encapsulation efficiency of about 79% and a particle size of 51 μm. The optimal formulation improved drug release in simulated gastric fluid for the first 2 h, while it provided a sustained release, in phosphate buffered saline (pH 6.8). The formulations prepared with a lower organic phase volume (4 ml) have reduced the burst effect and therefore provided better control of valsartan release. Mathematical modeling studies showed that the encapsulated drug release was governed by Fickian‐diffusion mechanism.
Preparation and properties enhancement of poly(lactic acid)/calcined‐seashell biocomposites for3Dprinting applications
Authors: Razali Mohammed Seddik , Khimeche Kamel , Melouki Redouane , Boudjellal Ammar , Vroman Isabelle , Alix Sébastien , Ramdani Noureddine 
Published: September 2021

AbstractIn the recent few years, fused filament fabrication technique have seen extensively used to produce complex‐geometry objects. However, the relatively restricted range of 3D printable biocomposites decelerated its adoption in the biomedical sector as a conventional manufacturing technique. In this method, the introduction of biofillers with unique properties to produce high performance composites as printing feedstocks are increasingly recommended. The interest in using eco‐friendly fillers from waste as reinforcing agents for producing lightweight and low‐cost poly(lactic acid) (PLA) composites is recently increased. In this work, a series of PLA biocomposites filled with calcined seashell (CSh) particles have been prepared by melt mixing technique using a twin‐screw extruder, and characterized by different morphological, thermal, and mechanical methods. The visco‐elastic parameters have been determined for these biocomposites to optimize their processing conditions. The morphological analysis revealed a homogenous dispersion of CSh fillers within the biopolymeric matrix, which was responsible for the enhancement of the various mechanical properties. Where, by adding 10 wt% of treated CSh, the tensile modulus and strength were significantly increased from 183.8 ± 4.7 MPa and 29.81 ± 1.8 MPa to 241.9 ± 63 MPa and 49.06 ± 8.87 MPa, respectively, compared to the virgin PLA. In addition, respected to PLA matrix, the compressive moduli of the printed specimens of PLA/5CSh and PLA/10CSh biocomposite filaments exhibited improvements of 5% and 14%, respectively. Moreover, the thermal analysis showed a marked improvement in the thermal stability of the elaborated biocomposites, where the degradation temperature (Td50) have been upgraded by 4°C for the biocomposite containing 10 wt% of CSh bio‐filler. These outstanding properties of PLA/CSh composites make them very suitable for 3D printing applications in the biomedical field.
Investigation into poloxamer 188‐based cubosomes as a polymeric carrier for poor water‐soluble actives
Authors: Yakaew Swanya , Luangpradikun Kunlathida , Phimnuan Preeyawass , Nuengchamnong Nitra , Kamonsutthipaijit Nuntaporn , Rugmai Supagorn , Nakyai Wongnapa , Ross Sukunya , Ungsurungsei Malyn , Viyoch Jarupa , Ross Gareth 
Published: September 2021

AbstractCubosomes and other lyotropic liquid crystal (LLC) phases are of great interest in many fields due to their potential as delivery systems. This study prepared poloxamer 188 (Pluronic® F68 [F68]) based cubosomes utilizing a low energy method and reports LLC structure stability, rheological behavior and carrier properties of the formed cubosomes. Mixtures of F68 and water were investigated and showed a concentration dependent viscoelastic behavior, ranging from a viscous liquid (30% F68) to hard gels (70% F68). Small‐angle X‐ray scattering showed cubosomes (Im3m) were present at F68 concentrations between 45% and 60%. Cubosomes fabricated from 50% F68 and 50% water were selected as the best composition and gave stable cubic structures for at least 10 months without additional stabilizing agent. To assess the use with poor water‐soluble molecules, artocarpin (AR) was added to the F68‐based cubosome. The developed cubosome possessed enhanced AR solubility due to the high affinity to the hydrophobic regions present in the cubic formation. Furthermore, an in vitro permeation study showed faster permeation rates of the developed cubosomes when compared to a cream‐based formulation. Collectively, these findings demonstrate that the F68‐based cubosomes represent a promising low‐cost active carrier for enhancing the solubility and permeability of low water‐soluble molecules.