bluuebunny/crossref_metadata_2025_split huggingface dataset:
Capacity expansion strategies for electric vehicle charging networks: Model, algorithms, and case study
Authors: Chen Qianqian , Huang Kai , Ferguson Mark R. 
Published: October 2021

AbstractGovernments in many jurisdictions are taking measures to promote the use of electric vehicles. As part of this goal, it is crucial to provide a sufficient number of charging stations to alleviate drivers' anxieties associated with the range of the vehicle. The goal of this research is to help governments develop vehicle charging networks for public use via the application of multistage stochastic integer programming model that determines both the locations and capacities of charging facilities over finite planning horizons. The logit choice model is used to estimate drivers' choices of nearby charging stations. Moreover, we characterize the charging demand as a function of the charging station quantity to reflect the range anxiety of consumers. The objective of the model is to minimize the expected total cost of installing and operating the charging facilities. An approximation algorithm, a heuristic algorithm, and a branch‐and‐price algorithm are designed to solve the model. We conduct numerical experiments to test the efficiency of these algorithms. Importantly, each algorithm has advantages over the CPLEX MIP solver. Finally, the City of Oakville in Ontario, Canada, is used to demonstrate the effectiveness of this model.
Synthesis and application of poly (cyclotriphosphazene‐resveratrol) microspheres for enhancing flame retardancy of poly (ethylene terephthalate)
Authors: Li Baojie , Zhu Yuanzhao , Wang Xuan , Xu Hong , Zhong Yi , Zhang Linping , Ma Yimeng , Sui Xiaofeng , Wang Bijia , Feng Xueling , Mao Zhiping 
Published: October 2021

AbstractA poly (cyclotriphosphazene‐resveratrol) (PRS) microsphere was synthesized via a feasible in‐situ template approach and applied to poly (ethylene terephthalate) (PET) for ameliorating its flammable and melt‐dropping issues. The prepared PRS microspheres displayed superior thermal stability and flame retardancy. By incorporating only 2 wt% of PRS microspheres into PET matrix, the limiting oxygen index value was increased from 23.3% to 28.3% and reached the UL‐94 V‐0 level without any after‐flame time. Cone calorimeter test demonstrated that the HRR and THR of PET/FR2.0 composite decreased significantly by 31.1% and 13.5%, respectively, which remarkably increased the fire safety of PET. On the other hand, the tensile strength and elongation at break of PET/FR2.0 composite decreased slightly, whereas the tensile modulus was increased by 10.5% than that of the pure PET. Moreover, the fire‐retardant mechanism of PRS microspheres was fully investigated, revealing that PET/FR system would generate compact and continuous char layers rapidly during combustion, the underlay materials would not be further cracked due to the isolation of external heat and oxygen. Nonflammable gases such as ammonia were also released to dilute the concentration of combustible gases around the PET matrix, achieving an efficient flame retardant effect.
Gender differences in vulnerability to maternal depression during early adolescence: Girls appear more susceptible than boys
Authors: Connelly J. P. , O'Connell Michael 
Published: October 2021

AbstractMaternal depression has consistently demonstrated reliability as a predictor of major depression in children. However, the effect of gender as a potential moderator remains under‐researched. This study examined gender differences in depression and hypothesized that maternal depression would be more greatly associated with depression in girls by early adolescence. A representative sample of 7237 participants from the Growing Up in Ireland national longitudinal study of Irish children was examined across two waves when participants were aged 9 and 13. Separate multiple regression analyses were run for girls and boys to ascertain if maternal depression and other key variables predicted child depression by age 13. A third analysis looked at the effect of gender. Maternal depression when the children were aged 9 was found predictive of depressive symptomology by age 13 in girls but not for boys. Additionally, conflict with caregivers, household income, and bullying were significant predictors for both genders. Gender significantly predicted youth depression when the child was female (R² = .13, ƒ2 = .25). These findings indicate that late childhood to early adolescence is a vulnerable period for girls during which they appear more susceptible to developing depressive symptomology than boys, particularly when exposed to maternal depression.
Effects of physical aging on the self‐healing, shape memory, and crystallization behaviors of hydrogen‐bonded supramolecular polymers
Authors: Wang Jiantao , Bao Jianna , Zhou Jiale , Li Xiang , Zhang Xianming , Chen Wenxing 
Published: October 2021

AbstractDespite the profusion of studies on synthesis, structure, and properties of supramolecular polymers (SMPs), physical aging, and its effects on properties of SMPs have been rarely described in the literature. In this study, SMPs was synthesized by end‐functionalized with 2‐ureido‐4[1H]‐pyrimidione (UPy) to triblock oligomers with soft poly(butylene) segments and hard poly (l‐lactic acid) blocks. Effects of physical aging on thermal, self‐healing properties, shape memory, as well as mechanical properties before and after repair of such SMPs have been studied. The self‐healing efficiency of SMPs increased considerably after physical aging process. After being aged at 33 °C for 120 h, light healable SMPs with a self‐healing efficiency of 100% can be achieved, as compared to the unaged SMPs of 50%. Moreover, it was found that the strength, modulus, and toughness of SMPs decreased gradually during the physical aging; on the contrary, the recovery of strength, modulus, and toughness after repair increased dramatically. The shape recovery speed and shape memory capability of SMPs can also be facilitated by extension of aging time.
Role of unique loops in oligomerization and ATPase function of Plasmodium falciparum gyrase B
Authors: Purushothaman Monica , Dhar Suman Kumar , Natesh Ramanathan 
Published: October 2021

AbstractDNA gyrase is an ATP dependent Type IIA topoisomerase that is unique to prokaryotes. Interestingly DNA gyrase has also been found in the apicoplasts of apicomplexan parasites like Plasmodium falciparum (Pf) the causative agent of Malaria. Gyrase B (GyrB), a subunit of gyrase A2B2 complex has an N‐terminal domain (GyrBN) which is endowed with ATPase activity. We reported earlier that PfGyrB exhibits ATP‐independent dimerization unlike its bacterial counterparts. Here we report the role of two unique regions (L1 and L2) identified in PfGyrBN. Deletions of L1 alone (PfGyrBNΔL1), or L1 and L2 together (PfGyrBNΔL1ΔL2) have indicated that these regions may play an important role in ATPase activity and the oligomeric state of PfGyrBN. Our experiments show that the deletion of L1 region disrupts the dimer interface of PfGyrBN and reduces its ATPase activity. Further through ITC experiments we show that the binding affinity of ATP to PfGyrBN is reduced upon the deletion of L1 region. We have observed a reduction in ATPase activity for of all three proteins PfGyrBN, PfGyrBNΔL1, and PfGyrBNΔL1ΔL2 in presence of coumermycin. Our results suggests that L1 region of PfGyrBN is likely to be functionally important and may provide a unique dimer interface that affects its enzymatic activity. Since deletion of L1 region decreases the affinity of ATP to the protein, this region can be targeted toward designing novel inhibitors of ATP hydrolysis.
Spatial arrangement of proteins in planar and curved membranes by PPM 3.0
Authors: Lomize Andrei L. , Todd Spencer C. , Pogozheva Irina D. 
Published: October 2021

AbstractCellular protrusions, invaginations, and many intracellular organelles have strongly curved membrane regions. Transmembrane and peripheral membrane proteins that induce, sense, or stabilize such regions cannot be properly fitted into a single flat bilayer. To treat such proteins, we developed a new method and a web tool, PPM 3.0, for positioning proteins in curved or planar, single or multiple membranes. This method determines the energetically optimal spatial position, the hydrophobic thickness, and the radius of intrinsic curvature of a membrane‐deforming protein structure by arranging it in a single or several sphere‐shaped or planar membrane sections. In addition, it can define the lipid‐embedded regions of a protein that simultaneously spans several membranes or determine the optimal position of a peptide in a spherical micelle. The PPM 3.0 web server operates with 17 types of biological membranes and 4 types of artificial bilayers. It is publicly available at https://opm.phar.umich.edu/ppm_server3. PPM 3.0 was applied to identify and characterize arrangements in membranes of 128 proteins with a significant intrinsic curvature, such as BAR domains, annexins, Piezo, and MscS mechanosensitive channels, cation‐chloride cotransporters, as well as mitochondrial ATP synthases, calcium uniporters, and TOM complexes. These proteins form large complexes that are mainly localized in mitochondria, plasma membranes, and endosomes. Structures of bacterial drug efflux pumps, AcrAB‐TolC, MexAB‐OrpM, and MacAB‐TolC, were positioned in both membranes of the bacterial cell envelop, while structures of multimeric gap‐junction channels were arranged in two opposed cellular membranes.
Behavioral manipulation of Drosophila suzukii for pest control: high attraction to yeast enhances insecticide efficacy when applied on leaves
Authors: Rehermann Guillermo , Spitaler Urban , Sahle Karolina , Cossu Carlo S , Donne Lorenz Delle , Bianchi Flavia , Eisenstecken Daniela , Angeli Sergio , Schmidt Silvia , Becher Paul G 
Published: October 2021

AbstractBACKGROUNDThe invasive pest, Drosophila suzukii attacks fresh soft‐skinned fruit. Broad‐spectrum insecticides are implemented for control but there is a need to reduce environmental risks and insecticide residues on fruits. Hanseniaspora uvarum is a yeast frequently found on ripe fruits and associated with D. suzukii. We aim to exploit the ecological association and attraction of D. suzukii to H. uvarum by developing an attract‐and‐kill strategy, with spray‐application on canopy but not fruit. We therefore investigated D. suzukii attraction, egg‐laying and mortality when exposed to insecticidal yeast‐based formulations.RESULTSHanseniaspora uvarum strongly attracted D. suzukii when applied on leaves of grapevine, Vitis vinifera. Notably, this attractiveness was competitive to ripe grape berries that were susceptible to D. suzukii infestation. Moreover, adding H. uvarum enhanced the efficacy of insecticidal formulations against D. suzukii. Flies exposed to leaves treated with yeast‐insecticide formulations showed higher mortality and laid a lower number of eggs compared to flies exposed to insecticide alone. In a wind tunnel, all treatments containing H. uvarum alone or in combination with insecticides, caused similar upwind flight and landing at the odor source, which provides evidence that the addition of insecticide did not reduce D. suzukii attraction to yeast.CONCLUSIONHanseniaspora uvarum can be used to manipulate the behavior of D. suzukii by attracting flies to insecticide formulations. Yeast attraction is competitive to grape berries and improves insecticide effectiveness, suggesting that sprays covering canopy only, could reduce residues on fruit without compromising management efficacy.
Genetic mechanism, baseline sensitivity and risk of resistance to oxathiapiprolin in oomycetes
Authors: Mboup Mamadou Kane , Sweigard James W , Carroll Anne , Jaworska Grazyna , Genet Jean‐Luc 
Published: October 2021

AbstractBACKGROUNDOxathiapiprolin is a piperidinyl thiazole isoxazoline fungicide discovered by DuPont and commercialized by Corteva Agriscience. It acts by inhibiting a novel fungal target, an oxysterol binding protein (OSBP), and is intrinsically highly active against oomycetes including grape downy mildew (Plasmopara viticola) and potato late blight (Phytophthora infestans). Because the fungicide acts at a single site there is a need to determine the risk of resistance development.RESULTSOxathiapiprolin controlled European Plasmopara viticola and Phytophthora infestans isolates at very low concentrations with half maximal effective concentration (EC50) values ranging from 0.001 to 0.0264 mg L−1 and 0.001 to 0.03 mg L−1, respectively. Laboratory mutagenesis studies performed with Phytophthora capsici using ultraviolet (UV) irradiation generated mutants with reduced sensitivity to oxathiapiprolin. All resistant mutants had a base pair change in the OSBP gene that resulted in an amino acid change. Most common substitutions were S768Y, G770V, G839W and L863W. Isolates of Plasmopara viticola and Phytophthora infestans with reduced sensitivity were also detected in field trial sites where oxathiapiprolin had been applied repeatedly each season over several consecutive years.CONCLUSIONSThe risk of oxathiapiprolin resistance development in Plasmopara viticola and Phytophthora infestans is medium to high and strict resistance management measures are required. Over‐exposure of target populations to single‐site fungicides during product development should be avoided.
Heterogeneous treatment effect analysis based on machine‐learning methodology
Authors: Gong Xiajing , Hu Meng , Basu Mahashweta , Zhao Liang 
Published: October 2021

AbstractHeterogeneous treatment effect (HTE) analysis focuses on examining varying treatment effects for individuals or subgroups in a population. For example, an HTE‐informed understanding can critically guide physicians to individualize the medical treatment for a certain disease. However, HTE analysis has not been widely recognized and used, even given the explosive increase of data availability attributed to the arrival of the Big Data era. Part of the reason behind its underuse is that data are often of high dimension and high complexity, which pose significant challenges for applying conventional HTE analysis methods. To meet these challenges, a newly developed causal forest HTE method has been derived from the random forest machine‐learning algorithm. We conducted a systematic performance evaluation for the causal forest method against the conventional two‐step method by simulating scenarios with different levels of complexity for the analysis. Our results show that causal forest outperforms the conventional HTE method in assessing treatment effect, especially when data are complex (e.g., nonlinear) and high dimensional, suggesting that causal forest is a promising tool for real‐world applications of HTE analysis.
“They’re Killing our Imaginations”: Dialogue and Reflexive Writing Development in Historically Marginalized Students
Authors: Spence Lucy K. , Costa Priscila J.B.M. , Cullars Amanda 
Published: October 2021

AbstractWriting and identity development are enhanced when students have opportunities to discuss and write about their lives and concerns. This qualitative study explored sites of possibility for reflective, dialogic pedagogy within middle and high school writing instruction. The context for the study were three rural school districts that were test‐focused, historically marginalized, and majority African American. We collected classroom observations, student and teacher interviews, and writing samples over one academic year, and used writing identity and reflexivity to understand how students engaged in reflexive writing. Reflexivity involves reflecting on interests, values, beliefs, and power in relation to ideas or purposes. Our results indicate that dialogue and writing about meaningful topics contributed to a reflexive writing cycle. Within this cycle, dialogue was central to reflection and writing decisions. Conversely, limited opportunities to reflect and engage in dialogue resulted in fewer instances of reflexivity in the writing samples.
Lithium Storage Performance Boosted via Delocalizing Charge in ZnxCo1−xPS3/CoS2 of 2D/3D Heterostructure
Authors: Zhong Hou‐Yang , Lu Xian , Zhong Yu , Zhao Yi , Liu Xin‐Ming , Cheng Dan‐Hong , Huang Xiao‐Ying , Du Ke‐Zhao , Wu Xiao‐Hui 
Published: October 2021

AbstractA promising anode material consisting of bimetallic thiophosphate ZnxCo1−xPS3 and CoS2 with 2D/3D heterostructure is designed and prepared by an effective chemical transformation. Density functional theory calculations illustrate that the Zn2+ can effectively modulate the electrical ordering of ZnxCo1−xPS3 on the nanoscale: the reduced charge distribution emerging around the Zn ions can enhance the local built‐in electric field, which will accelerate the ions migration rate by Coulomb forces and provide tempting opportunities for manipulating Li+ storage behavior. Moreover, the merits of the large planar size enable ZnxCo1–xPS3 to provide abundant anchoring sites for metallic CoS2 nanocubes, generating a 2D/3D heterostructure with a strong electric field. The resultant ZnxCo1−xPS3/CoS2 can offer the combined advantages of bimetallic alloying and heterostructure in lithium storage applications, leading to outstanding performance as an anode material for lithium‐ion batteries. Consequently, a high capacity of 794 mA h g−1 can be retained after 100 cycles at 0.2 A g−1. Even at 3.0 A g−1, a satisfactory capacity of 465 mA h g−1 can be delivered. The appealing alloying‐heterostructure and electrochemical performance of this bimetallic thiophosphate demonstrate its great promise for applications in practical rechargeable batteries.
Bioswitchable Delivery of microRNA by Framework Nucleic Acids: Application to Bone Regeneration
Authors: Li Songhang , Liu Yuhao , Tian Taoran , Zhang Tao , Lin Shiyu , Zhou Mi , Zhang Xiaolin , Lin Yunfeng , Cai Xiaoxiao 
Published: October 2021

AbstractMicroRNAs (miRs) play an important role in regulating gene expression. Limited by their instabilities, miR therapeutics require delivery vehicles. Tetrahedral framework nucleic acids (tFNAs) are potentially applicable to drug delivery because they prominently penetrate tissue and are taken up by cells. However, tFNA‐based miR delivery strategies have failed to separate the miRs after they enter cells, affecting miR efficiency. In this study, an RNase H‐responsive sequence is applied to connect a sticky‐end tFNA (stFNA) and miR‐2861, which is a model miR, to target the expression of histone deacetylase 5 (HDAC5) in bone marrow mesenchymal stem cells. The resultant bioswitchable nanocomposite (stFNA–miR) enables efficient miR‐2861 unloading and deployment after intracellular delivery, thereby inhibiting the expression of HDAC5 and promoting osteogenic differentiation. stFNA–miR also facilitated ideal bone repair via topical injection. In conclusion, a versatile miR delivery strategy is offered for various biomedical applications that necessitate modulation of gene expression.
Macroscopic MOF Architectures: Effective Strategies for Practical Application in Water Treatment
Authors: Yao Yiyuan , Wang Chaohai , Na Jongbeom , Hossain Mohammed Shahriar A. , Yan Xin , Zhang Hao , Amin Mohammed A. , Qi Junwen , Yamauchi Yusuke , Li Jiansheng 
Published: October 2021

AbstractMetal–organic frameworks (MOFs) have potential applications in removing pollutants such as heavy metals, oils, and toxins from water. However, due to the intrinsic fragility of MOFs and their fine powder form, there are still technical barriers to their practical application such as blockage of pipes, difficulty in recovery, and potential environmental toxicity. Therefore, attention has focused on approaches to convert nanocrystalline MOFs into macroscopic materials to overcome these limitations. Recently, strategies for shaping MOFs into beads (0D), nanofibers (1D), membranes (2D), and gels/sponges (3D) with macrostructures are developed including direct mixing, in situ growth, or deposition of MOFs with polymers, cotton, foams or other porous substrates. In this review, successful strategies for the fabrication of macroscopic materials from MOFs and their applications in removing pollutants from water including adsorption, separation, and advanced oxidation processes, are discussed. The relationship between the macroscopic performance and the microstructure of materials, and how the range of 0D to 3D macroscopic materials can be used for water treatment are also outlined.
A Comparison of Solid Electrolyte Interphase Formation and Evolution on Highly Oriented Pyrolytic and Disordered Graphite Negative Electrodes in Lithium‐Ion Batteries
Authors: Zhu Haoyu , Russell Joshua A. , Fang Zongtang , Barnes Pete , Li Lan , Efaw CoreyM. , Muenzer Allison , May Jeremy , Hamal Kailash , Cheng I. Francis , Davis Paul H. , Dufek EricJ. , Xiong Hui 
Published: October 2021

AbstractThe presence and stability of solid electrolyte interphase (SEI) on graphitic electrodes is vital to the performance of lithium‐ion batteries (LIBs). However, the formation and evolution of SEI remain the least understood area in LIBs due to its dynamic nature, complexity in chemical composition, heterogeneity in morphology, as well as lack of reliable in situ/operando techniques for accurate characterization. In addition, chemical composition and morphology of SEI are not only affected by the choice of electrolyte, but also by the nature of the electrode surface. While introduction of defects into graphitic electrodes has promoted their electrochemical properties, how such structural defects influence SEI formation and evolution remains an open question. Here, utilizing nondestructive operando electrochemical atomic force microscopy (EChem‐AFM) the dynamic SEI formation and evolution on a pair of representative graphitic materials with and without defects, namely, highly oriented pyrolytic and disordered graphite electrodes, are systematically monitored and compared. Complementary to the characterization of SEI topographical and mechanical changes during electrochemical cycling by EChem‐AFM, chemical analysis and theoretical calculations are conducted to provide mechanistic insights underlying SEI formation and evolution. The results provide guidance to engineer functional SEIs through design of carbon materials with defects for LIBs and beyond.
The Dehydrogenation of H‐S Bond into Sulfur Species on Supported Pd Single Atoms Allows Highly Selective and Sensitive Hydrogen Sulfide Detection
Authors: Liu Bo , Zhang Linjuan , Luo Yuanyuan , Gao Lei , Duan Guotao 
Published: October 2021

AbstractThe supported metal catalysts on scaffolds usually reveal multiple active sites, resulting in the occurrence of side reaction and being detrimental to the achievement of highly consistent catalysis. Single atom catalysts (SACs), possessed with highly consistent single active sites, have great potentials for overcoming such issues. Herein, the authors used SACs to modulate kinetic process of gas sensitive reaction. The supported Pd SACs, established by a metal organic frameworks‐templated approach, promoted greatly the detection capacity to hydrogen sulfide (H2S) gas with a very high sensitivity and selectivity. Density functional theory calculations show that the supported Pd SACs not only increased the number of electrons transferring from H2S molecules to Pd SACs, but strengthened surface affinity to H2S. Moreover, the HS bonds of H2S molecules absorbed on Pd atomic sites are more likely to be dehydrogenated directly into sulfur species. Significantly, quasi in situ XPS analysis confirmed the presence of sulfur species during H2S detection process, which may be a major cause for such detection signal. Based on these results, a suitable sensing principle for H2S gas driven by Pd SACs was put forward. This work will enrich catalytic electronics in chemiresistive gas sensing.