bluuebunny/crossref_metadata_2025_split huggingface dataset:
Flower‐like Spherical α‐Ni(OH)2 Derived NiP2 as Superior Anode Material of Sodium‐Ion Batteries
Authors: Yu Weiquan , Kong Yongke , Lin Jiajv , Zheng Hui , Kang Xiongwu 
Published: June 2021

AbstractTransition metal phosphides (TMPs) are promising anode candidates for sodium‐ion batteries, due to their high theoretical specific capacity and working potential. However, the low conductivity and excessive volume variation of TMPs during insertion/extraction of sodium ions result in a poor rate performance and long‐term cycling stability, largely limiting their practical application. In this paper, NiP2 nanoparticles encapsulated in three‐dimensional graphene (NiP2@rGO) were obtained from the flower‐like spherical α‐Ni(OH)2 by phosphating and carbon encapsulation processes. When used as a sodium‐ion batteries anode material, the NiP2@rGO composite shows an excellent cycling performance (117 mA h g−1 at 10 A g−1 after 8000 cycles). The outstanding electrochemical performance of NiP2@rGO is ascribed to the synergistic effect of the rGO and NiP2. The rGO wrapped on the NiP2 nanoparticles build a conductive way, improving ionic and electronic conductivity. The effective combination of NiP2 nanoparticles with graphene greatly reduces the aggregation and pulverization of NiP2 nanoparticles during the discharge/charge process. This study may shed light on the construction of high‐performance anode materials for sodium‐ion batteries and to other electrode materials.
Seasonal impacts on biofiltration acclimation dynamics and performance
Authors: Evans Ashley N. , Carter Jason T. , Kuhnel Ben , Nystrom Victoria E. 
Published: June 2021

AbstractThe City of Denton, Texas, upgraded the Lake Lewisville Water Treatment Plant (WTP) to add ozone and convert the existing chlorinated anthracite/sand filters to granular activated carbon (GAC) biofilters. Biofilter contaminant removal, operational performance, and biomass were monitored following startup on two filters, one brought online in winter and one brought online in summer, to understand seasonal impacts. In addition, the city also monitored anthracite biofilters following a winter shutdown at another WTP. Key conclusions include (1) acclimation (i.e., the time required to achieve steady‐state biomass, total organic carbon [TOC] removal, or total manganese removal, considered individually) was two to three times longer for filters brought online in the winter versus the summer, (2) no acclimation period was observed for turbidity or total iron removal, and (3) the relationship between TOC removal and water temperature was more significant for the WTP with anthracite than GAC biofilters.
Interaktionsbemessung für schlanke Querschnitte aus UHPC
Authors: Forman Patrick , Mark Peter 
Published: June 2021

AbstractAus ultrahochfestem Beton (UHPC) lassen sich extrem filigrane Strukturen errichten. Strukturoptimiert sind diese material‐ und ressourceneffizient. Die Querschnitte sind nicht mehr zwangsläufig massige Vollquerschnitte, sondern können beliebige Formen annehmen. Durch geometrische Ungenauigkeiten, die für bewehrte Bauteile aus Normalbeton inhärent im Teilsicherheitskonzept berücksichtigt werden, können bei sehr schlanken UHPC‐Querschnitten die tatsächlichen Tragfähigkeiten überschätzt werden. Für eine Bemessung gegen Biegung (M) mit Längskraft (N) werden dazu M‐N‐Interaktionsdiagramme hergeleitet, welche die Materialmodelle der in Entstehung befindlichen DAfStb‐Richtlinie „Ultrahochfester Beton“ adaptieren. Es zeigt sich, dass in biege‐ und druckdominanten Dehnungsbereichen der Einfluss von geometrischen Ungenauigkeiten maßgeblichen Einfluss auf die Tragfähigkeit besitzt. Daher müssen bei der Herstellung von schlanken UHPC‐Bauteilen die Anforderungen an die Qualitätssicherung höher ausfallen, z. B. durch eine qualitätsgesicherte automatisierte Vorfertigung. Alternativ sind konservativ reduzierte Querschnitte anzusetzen. Für hochbewehrte Bauteile wird zusätzlich der Ansatz von Nettoquerschnittswerten empfohlen.
Innovations in education of the medical molecular biology curriculum during the COVID‐19 pandemic in China
Authors: Xie Caifeng , Huang Chunhong , Yang Xiaohong , Luo Daya , Liu Zhuoqi , Tu Shuo , Jie Kemin , Xiong Xiangyang 
Published: June 2021

AbstractThe COVID‐19 pandemic is a huge challenge to education systems. Most governments around the world have temporarily closed schools, universities, and colleges. At the same time, teachers and students are encouraged to use the online and distance learning programs and platforms as an alternative. In the present study, we proposed a series of innovative solutions in Medical Molecular Biology education during the COVID‐19 pandemic in China, including a flipped classroom model, live streaming course, chat Apps, and scientific papers on COVID‐19 as additional learning material. Our results demonstrated that these innovations not only help teachers to maintain the teaching process as usual but also be useful for protecting students from psychological trauma. Our study indicates that online education with a well‐designed workflow for conducting provides an alternative approach for teachers to maintain quality education during the onset of the emerging crisis.
The American Chemical Society and two‐year college chemistry faculty relationships
Authors: Harbol Margaret R. , Farajallah Azizeh , Kojima Robert 
Published: June 2021

AbstractThe American Chemical Society (ACS) supports community college chemistry faculty by addressing curriculum, laboratory, and safety issues; however, these faculty are underrepresented in the ACS governance structure, which contributes to under‐serving two‐year college specific needs and low engagement by two‐year faculty in the ACS.
Embracing the democratic promise: Transforming two‐year colleges and writing studies through professional engagement
Authors: Jensen Darin L. , Calhoon‐Dillahunt Carolyn , Griffiths Brett , Toth Christie 
Published: June 2021

AbstractIn this chapter, we examine how professional organizations shape teaching and programmatic excellence in two‐year college writing instruction and how two‐year college English faculty are reshaping two‐year college writing studies to advance equitable educational access and outcomes.
Mathematics at two‐year colleges: Lessons from AMATYC
Authors: Kozak Kathryn , Ström April , Watkins Laura 
Published: June 2021

AbstractTwo‐year college mathematics teaching has interesting challenges, and it helps to have a national organization representing the profession that provides professional development, issues position statements on relevant topics, and cultivates leaders. This chapter illustrates how the AMATYC organization provides these services.
V2O5@TiO2 Catalyzed Green and Selective Oxidation of Alcohols, Alkylbenzenes and Styrenes to Carbonyls
Authors: Upadhyay Rahul , Kumar Shashi , Maurya Sushil K. 
Published: June 2021

AbstractThe versatile application of different functional groups such as alcohols (1° and 2°), alkyl arenes, and (aryl)olefins to construct carbon‐oxygen bond via oxidation is an area of intense research. Here, we report a reusable heterogeneous V2O5@TiO2 catalyzed selective oxidation of various functionalities utilizing different mild and eco‐compatible oxidants under greener reaction conditions. The method was successfully applied for the alcohol oxidation, oxidative scission of styrenes, and benzylic C−H oxidation to their corresponding aldehydes and ketones. The utilization of mild and eco‐friendly oxidizing reagents such as K2S2O8, H2O2 (30 % aq.), TBHP (70 % aq.), broad substrate scope, gram‐scale synthesis, and catalyst recyclability are notable features of the developed protocol.
Occupational boundaries: Gender capital and career progression in the financial planning industry
Authors: O'Dwyer Monica , Richards Daniel W. 
Published: June 2021

AbstractGender inequality and occupational segregation in Australian financial services present a stark disparity, with men working as financial planners and women being over‐represented in lower‐paid administrative positions. This article uses a gender capital theoretical framework to examine gender segregation between financial planning and paraplanning occupations. Analysis of interviews with 26 financial professionals suggested that masculine capital, including confidence and persuasive soft skills, marked success as a financial planner. Feminine capital, including organizational skills, was aligned with the role of paraplanner. These findings contribute a new perspective on why gender segregation occurs in financial planning. These findings bear relevance as financial planning professionalizes.
Taming the Antiferromagnetic Beast: Computational Design of Ultrashort Mn−Mn Bonds Stabilized by N‐Heterocyclic Carbenes
Authors: Francisco Marcos A. S. , Fantuzzi Felipe , Cardozo Thiago M. , Esteves Pierre M. , Engels Bernd , Oliveira Ricardo R. 
Published: June 2021

AbstractThe development of complexes featuring low‐valent, multiply bonded metal centers is an exciting field with several potential applications. In this work, we describe the design principles and extensive computational investigation of new organometallic platforms featuring the elusive manganese‐manganese bond stabilized by experimentally realized N‐heterocyclic carbenes (NHCs). By using DFT computations benchmarked against multireference calculations, as well as MO‐ and VB‐based bonding analyses, we could disentangle the various electronic and structural effects contributing to the thermodynamic and kinetic stability, as well as the experimental feasibility, of the systems. In particular, we explored the nature of the metal‐carbene interaction and the role of the ancillary η6 coordination to the generation of Mn2 systems featuring ultrashort metal‐metal bonds, closed‐shell singlet multiplicities, and positive adiabatic singlet‐triplet gaps. Our analysis identifies two distinct classes of viable synthetic targets, whose electrostructural properties are thoroughly investigated.
Inclusion Complexes of Gold(I)‐Dithiocarbamates with β‐Cyclodextrin: A Journey from Drug Repurposing towards Drug Discovery
Authors: Morgen Michael , Fabrowski Piotr , Amtmann Eberhard , Gunkel Nikolas , Miller Aubry K. 
Published: June 2021

AbstractThe gold(I)‐dithiocarbamate (dtc) complex [Au(N,N‐diethyl)dtc]2 was identified as the active cytotoxic agent in the combination treatment of sodium aurothiomalate and disulfiram on a panel of cancer cell lines. In addition to demonstrating pronounced differential cytotoxicity to these cell lines, the gold complex showed no cross‐resistance in therapy‐surviving cancer cells. In the course of a medicinal chemistry campaign on this class of poorly soluble gold(I)‐dtc complexes, >35 derivatives were synthesized and X‐ray crystallography was used to examine structural aspects of the dtc moiety. A group of hydroxy‐substituted complexes has an improved solubility profile, and it was found that these complexes form 2 : 1 host–guest inclusion complexes with β‐cyclodextrin (CD), exhibiting a rarely observed “tail‐to‐tail” arrangement of the CD cones. Formulation of a hydroxy‐substituted gold(I)‐dtc complex with excess sulfobutylether‐β‐CD prevents the induction of mitochondrial reactive oxygen species, which is a major burden in the development of metallodrugs.
Hydrogel‐Stiffening and Non‐Cell Adhesive Properties of Amphiphilic Peptides with Central Alkylene Chains
Authors: Yaguchi Atsuya , Hiramatsu Hirotsugu , Ishida Atsuya , Oshikawa Mio , Ajioka Itsuki , Muraoka Takahiro 
Published: June 2021

AbstractInvited for the cover of this issue is the group of Takahiro Muraoka at Tokyo University of Agriculture and Technology and collaborators. The image depicts nanofiber formation of an amphiphilic peptide with a central alkylene chain that shows non‐cell adhesive properties. Read the full text of the article at 10.1002/chem.202100739.
Chemical and Structural Strategies to Selectively Target mTOR Kinase
Authors: Borsari Chiara , De Pascale Martina , Wymann Matthias P. 
Published: June 2021

AbstractDysregulation of the mechanistic target of rapamycin (mTOR) pathway is implicated in cancer and neurological disorder, which identifies mTOR inhibition as promising strategy for the treatment of a variety of human disorders. First‐generation mTOR inhibitors include rapamycin and its analogues (rapalogs) which act as allosteric inhibitors of TORC1. Structurally unrelated, ATP‐competitive inhibitors that directly target the mTOR catalytic site inhibit both TORC1 and TORC2. Here, we review investigations of chemical scaffolds explored for the development of highly selective ATP‐competitive mTOR kinase inhibitors (TORKi). Extensive medicinal chemistry campaigns allowed to overcome challenges related to structural similarity between mTOR and the phosphoinositide 3‐kinase (PI3K) family. A broad region of chemical space is covered by TORKi. Here, the investigation of chemical substitutions and physicochemical properties has shed light on the compounds’ ability to cross the blood brain barrier (BBB). This work provides insights supporting the optimization of TORKi for the treatment of cancer and central nervous system disorders.
Functionalized Cyclopentenones and an Oxime Ether as Antimicrobial Agents
Authors: Gomes Rafael F. A. , Isca Vera M. S. , Andrade Késsia , Rijo Patrícia , Afonso Carlos A. M. 
Published: June 2021

AbstractSeveral naturally occurring cyclopentenones, such as palmenones and nigrosporiones, exhibit antimicrobial activity. Herein we describe the antimicrobial activity of cyclopentenones and derivatives that can be easily accessed from biomass derivatives furfural and 5‐hydroxymethylfurfural. Upon screening a range of functionalized trans‐diamino‐cyclopentenones (DCPs) and δ‐lactone‐fused cyclopentenones (LCPs), an oxime ether derivative of DCP was identified that exhibited remarkable antimicrobial activity against Gram‐positive bacteria, including resistant strains such as methicillin‐resistant S. aureus (MRSA) and vancomycin‐resistant E. faecalis (VRE) strains.
The 2nd Alpine Winter Conference on Medicinal and Synthetic Chemistry
Authors: Ciulli Alessio , Hamann Lawrence , Jahnke Wolfgang , Kalgutkar Amit S. , Magauer Thomas , Ritter Tobias , Steadman Vicky , Williams Scott D. , Winter Georg , Hoegenauer Klemens , Krawinkler Karl Heinz , Stepan Antonia F. 
Published: June 2021

AbstractThe second biannual Alpine Winter Conference on Medicinal and Synthetic Chemistry (short: Alpine Winter Conference) took place January 19–23, 2020, in St. Anton in western Austria. There were roughly 180 attendees from around the globe, making this mid‐sized conference particularly conducive to networking and exchanging ideas over the course of four and a half days. This report summarizes the key events and presentations given by researchers working in both industry and academia.
Coordinated process scheduling algorithms for coupled earth system models
Authors: Wei Xiaohui , Xu Zhewen , Li Hongliang , Ding Zhaohui 
Published: June 2021

AbstractIt is becoming increasingly significant for humans to predict and understand future climate changes using coupled climate system models. Although the performance and scalability of individual physical components have improved over the past few years, coupled climate systems still suffer from low efficiency. This paper focuses on the process scheduling problem for the widely applied coupled earth system model (CESM). The proposed resource allocation strategies allow components to execute on a compromised suboptimal setup and still maintain approximately the best parallel speedup. With this flexible resource allocation strategy, we further propose a coordinated process scheduling algorithm (CPSA). More notably, we propose an upgraded version called CPSA‐B, which makes efficient resource sharing configurations, including resource allocation and process layout of components. We integrate CPSA and CPSA‐B as pre‐arrangement tools into the CESM program and deploy them on the Huawei Kunpeng platform. The speedup curves of the CESM components are prepared in advance, based on sampling tests. Experimental data show that CPSA‐B reduces up to 58% of the execution time compared with the CESM default strategy. The algorithm has low complexity and can efficiently find solutions for large input sizes.
Adaptive differential privacy preserving based on multi‐objective optimization in deep neural networks
Authors: Fan Tian , Cui Zhihua 
Published: June 2021

SummaryPrivacy data security has become an important bottleneck for the overall development of artificial intelligence and a key challenge that needs to be broken in the Internet era. The current research mainly considers differential privacy to effectively protect the private information in the data. However, as the noise increases, the precision of the training model will decrease. In order to solve above problem, an adaptive differential privacy (ADP) method is constructed and applied to deep neural networks. ADP adds noise adaptively in the training process according to the importance of features. We also build the differential privacy multi‐objective optimization model (DPMOM). DPMOM adopts multi‐objective optimization characteristics, takes accuracy and privacy protection as the optimization objectives. It optimizes the super parameters of deep neural networks and the noise of differential privacy. In addition, to better solve the ADP model, with the NSGA‐II algorithm as the basic framework, a multi‐objective optimization algorithm based on differential privacy protection (DPPMOA) is designed. Simulation experiments show that compared with other machine learning methods and differentially private stochastic gradient descent, the accuracy of ADP is higher under the same amount of noise. Through comparison with NSGA‐II, IBEA, PESA‐II, and AGE‐II, DPPMOA is proved that the solution set of this algorithm is better.
Analysis of effects of trifluoromethanesulfonamide in sorghum inbred lines and their derived hybrids
Authors: Kyanam Ammani N. , Hodnett George L. , Rooney William L. 
Published: June 2021

AbstractIn sorghum [Sorghum bicolor (L.) Moench], development of male‐sterile versions (A‐lines) of the seed parents (B‐lines) is a tedious and time‐consuming process limiting opportunities for the improvement of new seed parents. Assessment of the value of a potential new seed parent requires testcross hybrid evaluations, but because of male fertility of these lines, conventional methods are inadequate to generate hybrid seed required for testing. Mechanisms to reduce the number of lines that require sterilization would be beneficial. The chemical gametocide trifluoromethanesulfonamide (TFMSA) was evaluated for its potential applicability to generate testcross hybrid seed. To study the effect on inbred line productivity, foliar applications of 25 mg of TFMSA were made to a select set of male‐fertile B‐lines and were compared to the corresponding untreated male‐sterile A‐line. Trifluoromethanesulfonamide induced near‐complete male‐sterility and allowed for testcross hybrid seed production across a range of genotypes. Comparison to untreated B‐lines indicated an average 3‐d delay in flowering and a 13‐cm reduction in plant height. Furthermore, average seed weight per panicle (productivity) was reduced by 8 g. Comparison of testcross hybrids produced by TFMSA induced male‐sterile lines and cytoplasmic male‐sterile lines did not reveal any significant and meaningful differences between the hybrids derived from both sterility systems. Moreover, inbred lines produced hybrids that ranked consistently in both systems. These results show TFMSA can affect productivity of treated inbred lines, but not the derived hybrid, which demonstrates that TFMSA can be used to produce hybrids for evaluation prior to investment in sterilizing of these lines.
Temperature sensitivity of plant litter decomposition rate in China's forests
Authors: Zhang Fan , Feng Yuhao , Song Shanshan , Cai Qiong , Ji Chengjun , Zhu Jianxiao 
Published: June 2021

AbstractThe decomposition of litter from forest tree species is a fundamental process in the carbon (C) cycle of terrestrial ecosystems and is closely related to ongoing climate change. However, the spatial distribution of the forest litter decomposition rate (k) and its potential response to changing air temperature (temperature sensitivity) remain poorly understood. Here, we estimated the spatial pattern of forest plantkvalues in China by performing a random forest model based on 433 standardizedkvalues from 124 published studies. Nine potential predictors, including climate‐related factors, vegetation characteristics, and soil physical and chemical factors, were considered in the model. The results of spatial extrapolation indicated that the averagekvalue for China's forests was 0.53, and the mean annual temperature (MAT) was the most important factor. We also mapped the spatial pattern of the temperature sensitivity of thekvalue (Q10) by using a moving window method. We found that theQ10values had considerable variation (from 0.05 to 11.68, 95% confidence interval, CI) across forest types and regions. TheQ10values were lower in the warmer regions (primarily in the sub‐tropical evergreen forests) and higher in the semi‐humid regions (primarily in the temperate deciduous forests and borealLarixforests) than those in the other regions of China. However, theQ10values of the broadleaved forests were higher than those of coniferous forests. These results suggest that the temperature sensitivity of the litter decomposition rate will decline under the ongoing global warming. Changing patterns of precipitation will also affect not only the forest litter decomposition rate but also its temperature sensitivity.
Spatial ecology of invasive Burmese pythons in southwestern Florida
Authors: Bartoszek Ian A. , Smith Brian J. , Reed Robert N. , Hart Kristen M. 
Published: June 2021

AbstractUnderstanding the spatial ecology of an invasive species is critical for designing effective control programs. Determining and quantifying home range estimates and habitat associations can streamline targeted removal efforts for wide‐ranging, cryptic animals. The Burmese python (Python bivittatus) is a large‐bodied constrictor snake with an established and expanding invasive population in southern Florida. This apex predator has severely impacted native wildlife across the Greater Everglades ecosystem. However, limited ecological information exists on this invasive species at the landscape level. Here, we present results from a study using radiotelemetry to quantify movements and habitat use patterns of 25 adult Burmese pythons in southwestern Florida, USA, for average periods of 814 d (range: 288–1809). Our objective was to quantify home range size, movement rates, and second‐ and third‐order habitat selection. Mean annual home range size was 7.5 km2 ± 2.9 km2 (95% kernel density estimate), and pythons moved at a maximum mean daily rate of 0.52 km/d. Burmese pythons selected agriculture, freshwater wetland, saline wetland, and upland land cover classes but avoided open water and urban land cover classes. Nest site selection was highest for pythons at an elevation of 1.7 m with nesting hotspots concentrated on the borders of urban and agricultural areas or in sandy forested upland habitats. A broader understanding of the spatial utilization of Burmese pythons will enhance the utility of emerging control strategies across their invaded range.