bluuebunny/crossref_metadata_2025_split huggingface dataset:
Molecular interactions and inhibition of the SARS‐CoV‐2 main protease by a thiadiazolidinone derivative
Authors: Andrzejczyk Jacob , Jovic Katarina , Brown Logan M. , Pascetta Valerie G. , Varga Krisztina , Vashisth Harish 
Published: May 2022

AbstractWe report molecular interactions and inhibition of the main protease (MPro) of SARS‐CoV‐2, a key enzyme involved in the viral life cycle. By using a thiadiazolidinone (TDZD) derivative as a chemical probe, we explore the conformational dynamics of MPro via docking protocols and molecular dynamics simulations in all‐atom detail. We reveal the local and global dynamics of MPro in the presence of this inhibitor and confirm the inhibition of the enzyme with an IC50 value of 1.39 ± 0.22 μM, which is comparable to other known inhibitors of this enzyme.
MON 95379 Bt maize as a new tool to manage sugarcane borer (Diatraea saccharalis) in South America
Authors: Horikoshi Renato J. , Ferrari German , Dourado Patrick M. , Climaco Juan I. , Vertuan Hallison V. , Evans Adam , Pleau Michael , Morrell Kimberly , José Marcia O. M. A. , Anderson Heather , Martinelli Samuel , Ovejero Ramiro F. L. , Berger Geraldo U. , Head Graham 
Published: May 2022

AbstractBackgroundThe sugarcane borer (SCB), Diatraea saccharalis (Lepidoptera: Crambidae), is a key pest of maize in Argentina, and genetically modified maize, producing Bacillus thuringiensis (Bt) proteins, has revolutionized the management of this insect in South America. However, field‐evolved resistance to some Bt technologies has been observed in SCB in Argentina. Here we assessed a new Bt technology, MON 95379, in the laboratory, greenhouse and field for efficacy against SCB.ResultsIn a laboratory leaf disc bioassay, both MON 95379 (producing Cry1B.868 and Cry1Da_7) and Cry1B.868_single maize (producing only Cry1B.868) resulted in 100% mortality of SCB. The level of Cry1B.868 in the Cry1B.868_single maize is comparable to that in MON 95379 maize. However, the Cry1Da_7 protein does not have high efficacy against SCB, as evidenced by < 20% mortality on Cry1Da_7_single leaf tissue. Total (100%) mortality of SCB in a Cry1B.868_single tissue dilution bioassay indicated that Cry1B.868_single maize meets the criteria to be classified as a high dose. Similar median lethal concentration (LC50) values were observed for MON 89034‐R and susceptible SCB strains exposed to Cry1B.868 protein. MON 95379 also controlled SCB strains resistant to MON 89034 (Cry1A.105/Cry2Ab2) and Cry1Ab. Under field conditions in Brazil and Argentina, MON 95379 maize plants were consistently protected from SCB damage.ConclusionMON 95379 maize will bring value to maize growers in South America by effectively managing SCB even in locations where resistance to other Bt‐containing maize technologies has been reported. © 2022 The Authors. Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Anthraquinones and their analogues as potential biocontrol agents of rust and powdery mildew diseases of field crops
Authors: Barilli Eleonora , Agudo Francisco J. , Masi Marco , Nocera Paola , Evidente Antonio , Rubiales Diego 
Published: May 2022

AbstractBackgroundRusts and powdery mildews are severe fungal diseases of major crops worldwide, including cereals and legumes. They can be managed by chemical fungicide treatments, with negative consequences as environmental pollution and risk for human and animal health. Bioactive natural products could be the safest alternative for pest control. The family of anthraquinones, as well as analogue compounds containing an anthraquinone moiety or some modified anthraquinone rings, has been reported to exhibit certain antibiotic activity. Thus, the potential antifungal activity of some anthraquinones isolated from Ascochyta lentis, was assayed in this study for their effectiveness to reduce rust and powdery mildew diseases on pea and oat. Their effect on fungal development was macro‐ and microscopically assessed on inoculated leaves, and compared to the control achieved by the chemical fungicide (Tetraconazol 12.5% and Azoxystrobin 25%). In addition, the most promising compound was also tested at different concentrations in inoculated whole plants in order to evaluate its preventive and curative potential against fungal infection.ResultsAll metabolites studied strongly reduced the development of rust and powdery mildews in both pea and oat, being pachybasin and lentiquinone C the most effective ones in hampering fungal spore germination and appressoria formation. Some of them also affected post‐penetration events reducing colony size and number of haustoria per colony. Results were confirmed for pachybasin in whole plants assays, showing an efficacy similar to the commercial fungicide to control fungal diseases, both in preventive and curative applications.ConclusionsSome fungal anthraquinones and close metabolites, especially pachybasin, could be very promising molecules with effective potential as antifungal agents against both rust and powdery mildew of both pea and oat. Some structure activity‐relationships feature have also been evaluated. © 2022 The Authors. Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Engineered Bacteria with Genetic Circuits Accumulating Nanomagnets as MRI Contrast Agents
Authors: Yavuz Merve , Ütkür Mustafa , Kehribar Ebru Şahin , Yağız Ecrin , Sarıtaş Emine Ülkü , Şeker Urartu Özgür Şafak 
Published: May 2022

AbstractThe demand for highly efficient cancer diagnostic tools increases alongside the high cancer incidence nowadays. Moreover, there is an imperative need for novel cancer treatment therapies that lack the side effects of conventional treatment options. Developments in this aspect employ magnetic nanoparticles (MNPs) for biomedical applications due to their stability, biocompatibility, and magnetic properties. Certain organisms, including many bacteria, can synthesize magnetic nanocrystals, which help their spatial orientation and survival by sensing the earth's geomagnetic field. This work aims to convert Escherichia coli to accumulate magnetite, which can further be coupled with drug delivery modules. The authors design magnetite accumulating bacterial machines using genetic circuitries hiring Mms6 with iron‐binding activity and essential in magnetite crystal formation. The work demonstrates that the combinatorial effect of Mms6 with ferroxidase, iron transporter protein, and material binding peptide enhances the paramagnetic behavior of the cells in magnetic resonance imaging (MRI) measurements. Cellular machines are also engineered to display Mms6 peptide on the cell surface via an autotransporter protein that shows augmented MRI performance. The findings are promising for endowing a probiotic bacterium, able to accumulate magnetite intracellularly or extracellularly, serving as a theranostics agent for cancer diagnostics via MRI scanning and hyperthermia treatment.
Free‐Standing Nanoarrays with Energetic Electrons and Active Sites for Efficient Plasmon‐Driven Ammonia Synthesis
Authors: Jiang Weiyi , Zhang Haona , An Yang , Mao Yuyin , Wang Zeyan , Liu Yuanyuan , Wang Peng , Zheng Zhaoke , Wei Wei , Dai Ying , Cheng Hefeng , Huang Baibiao 
Published: May 2022

AbstractDirect ammonia (NH3) synthesis from water and atmospheric nitrogen using sunlight provides an energy‐sustainable and carbon‐neutral alternative to the Haber–Bosch process. However, the development of such a route with high performance is impeded by the lack of effective charge transfer and abundant active sites to initiate the nitrogen reduction reaction (NRR). Here, the authors report efficient plasmon‐induced photoelectrochemical (PEC) NH3 synthesis on the hierarchical free‐standing Au/KxMoO3/Mo/KxMoO3/Au nanoarrays. Endowed with energetically hot electrons and catalytically active sites, the plasmonic nanoarrays exhibit an efficient PEC NH3 synthesis rate of 9.6 µg cm−2 h−1 under visible light irradiation, which is among the highest PEC NRR systems. This work demonstrates the rationally designed plasmonic nanoarrays for highly efficient NH3 synthesis, which paves a new path for PEC catalytic reactions driven by surface plasmons and future monolithic PEC devices for direct artificial photosynthesis.
Electrically Accelerated Self‐Healable Polyionic Liquid Copolymers
Authors: Liu Qianhui , Wang Siyang , Zhao Zeyu , Tong Jianhua , Urban Marek W. 
Published: May 2022

AbstractElectrically accelerated self‐healable poly(ionic liquids) copolymers that exhibit resistor‐capacitor (RC) circuit properties are developed. At low alternating current (AC) frequencies these materials behave as a resistor (R), whereas at higher frequencies as a capacitor (C). These properties are attributed to a combination of dipolar and electrostatic interactions in (1‐[(2‐methacryloyloxy)ethyl]‐3‐butylimidazolium bis(trifluoromethyl‐sulfonyl)imide) copolymerized with methyl methacrylate (MMA) monomers to form p(MEBIm‐TSFI/MMA)] copolymers. When the monomer molar ratio (MEBIm‐TSFI:MMA) is 40/60, these copolymers are capable of undergoing multiple damage‐repair cycles and self‐healing is accelerated by the application of alternating 1.0–4.0 V electric field (EF). Self‐healing in the absence of EFs is facilitated by van der Waals (vdW) interactions, but the application of AC EF induces back and forth movement of charges against the opposing force that result in dithering of electrostatic dipoles giving rise to interchain physical crosslinks. Electrostatic inter‐ and intrachain interactions facilitated by copolymerization of ionic liquid monomers with typically dielectric acrylic‐based monomers result in enhanced cohesive energy densities that accelerate the recovery of vdW forces facilitating self‐healing. Incorporating ionic liquids into commodity polymers offers promising uses as green conducting solid polyelectrolytes in self‐healable energy storage, energy‐harvesting devices, and many other applications.
Restoring force model of steel‐recycled concrete composite frame with infilled recycled block wall
Authors: Meng Ercong , Yu Yalin , Zhang Xianggang , Su Yisheng 
Published: May 2022

SummaryTo study the restoring force model of steel‐recycled concrete composite frame with infilled recycled block wall, the experimental results of two recycled concrete‐filled steel tube frames with infilled recycled block walls and three steel‐reinforced recycled concrete frames with infilled recycled block walls under low cyclic loading were analyzed. The four broken‐line skeleton curve model which was suitable for this kind of composite frame was proposed, and the calculation methods for different stages of the skeleton curve were given respectively. According to the hysteretic characteristics of different frame specimens, the hysteretic loops for steel‐recycled concrete composite frame with infilled recycled block wall were simplified by using the treat methods of positive and negative symmetry and sudden drop of bearing capacity, and the restoring force model for different type of steel‐recycled concrete composite frame with infilled recycled block wall was established. At the same time, combing the experimental results, the proposed restoring force model was verified. The results show that the established restoring force model can predict the hysteretic behavior of steel‐recycled concrete composite frame with infilled recycled block wall well, and it can provide theoretical support for the elastic–plastic time history analysis of this kind of frame structures under earthquake.
Inelastic seismic behavior of asymmetric structures with mass and stiffness eccentricity under bidirectional ground motions
Authors: Hussain Md Ahsaan , Dutta Sekhar Chandra 
Published: May 2022

SummaryStructures with an asymmetric plan have proved to be severely vulnerable during the past earthquakes. The vulnerability may arise due to the uneven distribution of stiffness or mass. Most of the research focused on studying the eccentricity arising due to the irregular stiffness distribution. On the other hand, the systems with mass eccentricity arising due to the uneven distribution of mass at floor level are given relatively little attention. Hence, the present paper comprehensively studied the stiffness and mass eccentric systems together. In each case, the structure is subjected to bidirectional components of ground motion, which reflects the real situation more closely. So, for the lateral load‐resisting elements (columns), effect of biaxial interaction due to simultaneous bidirectional movement is included in the hysteresis behavior as explained in the paper to make a reasonably accurate prediction. Primarily idealized single‐story systems were used to study how asymmetric structures are vulnerable if they have stiffness or mass eccentricity. Further, the three‐story asymmetric systems were also included in the scope of the study to observe the effect of higher modes. To simulate a more practical situation, the present paper considers higher eccentricity in the first story of the three‐story system due to functional reasons, while the upper stories have lesser eccentricities compared to the first story. The present study shows that mass eccentric systems are equally vulnerable to earthquakes as stiffness eccentric systems. Further, three‐story systems show a manifold increase in response compared to its single‐story counterparts. Such a study may help to develop more insight into the generic behavior of plan asymmetric systems, leading to the improvement of design guidelines.
Recent Advances on Synthesis of CoCO3 with Controlled Morphologies
Authors: Zhang Quanxing , Yu Wei , Zhang Dongpei , Liu Mengyuan , Wang Jinyao , Meng Kexin , Yang Chaohe , Jin Xin , Zhang Guangyu 
Published: May 2022

AbstractCobalt carbonates and derivatives represent most promising cost‐effective materials for energy storage, conversion and upgrading. Morphology determines the performances, as size, shape and electronic configuration are key factors for tunable properties in the area of batteries, catalysis, magnetics and plasmonics. However, there is lack of insights in literature on morphological control of cobalt carbonates during hydrothermal and solvothermal conditions. Therefore, this review provides detailed discussion on synthesis, formation mechanism and morphological control of nanosheets, wires, spheres and cubes of cobalt carbonates. Furthermore, the influence of experimental conditions and plausible mechanism which govern the growing processes were further discussed in details. The outcome of this short review will offer insights into rational design of inexpensive metal carbonates for numerous other energy and environment applications.
Hesperetin alleviates DMH induced toxicity via suppressing oxidative stress and inflammation in the colon of Wistar rats
Authors: Shree Alpa , Islam Johirul , Yadav Vikas , Sultana Sarwat , Khan Haider Ali 
Published: May 2022

Abstract1,2‐Dimethylhydrazine (DMH), a colon‐specific environmental toxicant is one among the carcinogen responsible for the cause of colon cancer. The present study was designed to evaluate the protective effect of Hesperetin (HST) against colon toxicity induced by DMH in Wistar rats. HST, a flavonoid widely found in citrus fruits possesses several biological activities including anti‐microbial, anti‐oxidant properties among others. A single dose of DMH (40 mg/kg body weight) was administered subcutaneously on 1st day for induction of colon toxicity followed by oral treatment with HST at a dose of 20 mg/kg bodyweight for 14 consecutive days. DMH administration leads to excessive ROS generation, resulting in an imbalance in redox homeostasis and causing membrane lipid peroxidation, which is also partly due to the decrease in the level of tissue antioxidant machinery. Our result showed HST significantly ameliorates DMH‐induced lipid peroxidation and also substantially increases the activity/level of various anti‐oxidant proteins (GR, GPx, GST, GSH, and SOD). HST was also found to reduce the expression of inflammatory proteins (TNF‐α, IL‐6, i‐NOS, COX‐2, NF‐kB‐p65), goblet cell disintegration as well as mucin depletion (sulfo and sialomucin) in the colon that was found to be elevated upon administration of DMH. Our histological results further provide confirmation of the protective role of HST against DMH‐induced pathological alterations. The results of the present study demonstrate supplementation of HST is beneficial in ameliorating DMH‐induced toxicity by suppressing oxidative stress, inflammation, goblet cell disintegration as well mucin depletion in the colon of Wistar rats.
In‐situ tin casting combined with three‐dimensional scanner to quantify anecic earthworm burrows
Authors: Wen Na , Zhang Jie , Zeng Hui , Liu Gang , Horton Robert 
Published: May 2022

AbstractEarthworms (Lumbricus terrestris) play a critical role in soil ecosystems. Analyzing the spatial structure of earthworm burrows is important to understand their effect on water flow and solute transport. The aim of this study was to quantitatively characterize structural characteristics (cross‐sectional area [A], circularity [C], diameter [D], actual length [Lt], tortuosity [τ]) of anecic earthworm burrows that were open and connected at the soil surface at two sites of different tillage treatments (no‐till at Lu Yuan [LY] and rotary tillage at Shang Zhuang [SZ]) by combining a new in‐situ tin casting method with three‐dimensional (3D) laser scanning technology. The cross‐sections of anecic earthworm burrows were almost circular, and the C values were significantly negatively correlated with D and A. Statistically, there were no significant differences in the τ values (1.143 ± 0.082 vs. 1.133 ± 0.108) of anecic earthworm burrows at LY and SZ, but D (6.456 ± 1.585 mm) and A (36.929 ± 21.656 mm2) of anecic earthworm burrows at LY were significantly larger than D (3.449 ± 0.531 mm) and A (9.786 ± 2.885 mm2) at SZ. Our study showed that burrow structures at two different sites differed from each other. Soil tillage methods, soil texture, and soil organic matter content at the two sites could have affected earthworm species composition, variation of earthworm size and the morphology of burrows. The method used in this research enabled us to adequately assess the spatial structure of anecic earthworm burrows in the field with a limited budget.
Uniform in‐plane elastic field inside a monoclinic elliptical inhomogeneity with non‐confocal elliptical interphase layer
Authors: Wang Xu , Schiavone Peter 
Published: May 2022

AbstractWe employ the Stroh quartic formalism to study the in‐plane deformations of a three‐phase composite consisting of an elliptical inhomogeneity embedded in an infinite matrix via an intermediate interphase layer itself bounded by two elliptical boundaries. The matrix is subjected to uniform remote in‐plane loading. The two corresponding elliptical interfaces (one between the inhomogeneity and the interphase layer and the other between the interphase layer and the surrounding matrix) are non‐confocal. The inhomogeneity and the matrix are assumed to be monoclinic materials with the symmetry plane at x3 = 0 whilst the intermediate interphase layer is composed of a mathematically degenerate orthotropic material. The non‐confocal character of the two elliptical interfaces is carefully designed according to the orthotropic property of the interphase layer. Two simple conditions are found that ensure that the internal elastic field of stresses and strains inside the elliptical inhomogeneity is uniform. For given material and geometric parameters of the composite, these two conditions give two simple relationships among the three remote in‐plane stresses. In addition, the internal uniform elastic field inside the elliptical inhomogeneity and the non‐uniform elastic field in the interphase layer are determined in real‐form in terms of the two 4 × 4 fundamental elasticity matrices for the inhomogeneity and the matrix and the three 2 × 2 Barnett‐Lothe tensors for (only) the matrix.
On the restrained torsional warping of thin‐walled elastic shafts
Authors: Armero Francisco 
Published: May 2022

AbstractThis paper studies the torsion of thin‐walled shafts when warping is restrained. It focuses on the treatment of the warping–twist constraint (whereby the twisting of the shaft is constrained to control the warping of its cross sections) by different formulations of warping torsion. This constraint underlies the kinematics of the classical TWKV formulation of Timoshenko‐Wagner‐Kappus‐Vlasov, whereas it is relaxed in the widely‐used RBV formulation of Reissner‐Benscoter‐Vlasov and the new mixed formulation recently proposed by the author. These two unconstrained formulations are still able to enforce the constraint in a penalty‐type limit process depending on specific combinations of the section's torsional constants, some new to the literature. Here we obtain rigorous estimates of these torsional constants and penalty parameters in the thin‐wall limit, thus providing an alternative understanding of the physical response of these sections. In particular, we prove that the constrained limit is attained in the thin‐wall limit for open sections but not for closed (multiply‐connected) cross sections. These analyses also provide an understanding of how those three formulations model the torsion of elastic shafts. To this purpose, we also undertake a detailed numerical evaluation of these considerations. The results presented here show the improved performance gained by the new mixed formulation of warping torsion, avoiding the anomalies observed for the TWKV formulation and the incorrect (not in equilibrium) RBV stresses.
A Risk-Based Approach for Contaminants of Emerging Concern in Drinking Water Production and Distribution Chain
Authors: Cantoni Beatrice 
Published: May 2022

AbstractProvision of safe drinking water (DW) is one of the major requisites for human health, related to four Sustainable Development Goals (SDGs) of the United Nation 2030 Agenda: SDGs 3 (Good health), 6 (Clean water and sanitation), 11 (Sustainable cities) and 12 (Responsible production and consumption). However, this is hindered by the presence, especially in highly-anthropized contexts, of contaminants of emerging concern (CECs) in DW, that may pose a risk for human health. The present study aims at developing a holistic framework to support both (i) decision-makers for CECs prioritization in DW regulation and (ii) water utilities for the selection of appropriate monitoring and treatment interventions for the optimization of DW supply system. In detail, a quantitative chemical risk assessment (QCRA), including uncertainties related to both exposure and hazard assessments, was developed. Then, it was combined with testing and modeling of CECs fate in treatment processes and in distribution network, obtaining a robust tool to achieve the above-mentioned SDGs.
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Influence of the Collection Equipment on Organic Waste Treatment: Technical and Environmental Analyses
Authors: Dolci Giovanni 
Published: May 2022

AbstractThe research investigated the influence of different collection bag types on the environmental and energy performances of the food waste management chain, comparing paper and bioplastic bags. First, the use of bags during the food waste household storage was examined. Subsequently, the behavior of bags when subjected to anaerobic digestion was evaluated, performing Biochemical Methane Potential tests and semi-continuous co-digestion tests with the food waste, to simulate the operating conditions of full-scale digesters. Finally, the performances of the food waste management chain were evaluated, with a Life Cycle Assessment (LCA). The experimental tests showed a more favorable behavior of paper bags, showing a very good compatibility with the anaerobic digestion. The LCA results revealed how paper bags lead to improvements in the impact associated to the food waste management.
Graphical Abstract