bluuebunny/crossref_metadata_2025_split huggingface dataset:
Helical bias in supramolecular polymers accounts for different stabilities of kinetically trapped states
Authors: Ślęczkowski Marcin L. , Mabesoone Mathijs F. J. , Preuss Marco D. , Post Yorick , Palmans Anja R. A. , Meijer E. W. 
Published: March 2022

AbstractThe idea to synthesize and self‐assemble nano‐graphenes with structural precision into supramolecular polymers is just one of Klaus Müllen's many pioneering contributions to the chemical sciences. To honor his impact in the field of polymer science, we here describe a study that combines experimental and computational methods in studying the stability of kinetically trapped states of supramolecular polymers. We show that the introduction of stereocenters in the sidechains allow helical supramolecular polymers based on chiral triphenylene‐2,6,10‐tricarboxamide monomers to escape a kinetic trap more efficiently than polymers based on their achiral analogs. Partial depolymerization of the kinetically trapped state by increasing the temperature followed by polymerization by lowering the temperature shows that monomers either polymerize on existing stacks or self‐nucleate to form the thermodynamically more stable state. Chiral monomers prefer the latter more than achiral monomers.
A psycho‐oncological online intervention supporting partners of patients with cancer (PartnerCARE): Results from a randomized controlled feasibility trial
Authors: Bodschwinna Daniela , Lorenz Inga , Bauereiß Natalie , Gündel Harald , Baumeister Harald , Hönig Klaus 
Published: March 2022

AbstractObjectivePartners of cancer patients are the primary supporters and burdened at the same time. Support for partners is hitherto scarce and existing offers are rarely used. The PartnerCARE online intervention was specifically developed to address the caregiving partners' needs. This two‐arm parallel randomized controlled trial (RCT) evaluates the feasibility, acceptability, and potential efficacy of PartnerCARE.MethodsSixty German‐speaking partners of patients with various cancer entities were randomized into two conditions: intervention group (IG) with PartnerCARE (N = 30) or waitlist‐control group (N = 30). Participants completed online questionnaires at baseline (T0), post‐treatment (T1) and 4‐months follow‐up (T2). Feasibility and acceptability outcomes included dropout rates, use and acceptance of PartnerCARE, individual user/e‐coach feedback as well as negative effects. Relevant efficacy outcomes were assessed to test for potential intervention effects.ResultsRecruitment success illustrates demand for and acceptability of PartnerCARE. Satisfaction with the intervention was high (Client Satisfaction Questionnaire adapted to Internet‐based interventions, T1: M = 24.66, SD = 6.42) and 73.3% of participants completed the intervention. Study dropout rate was low (T1: 17%, T2: 29%). More positive than negative side effects of the intervention were identified, and negative ones were mainly related to ”intrapersonal change”. For efficacy outcomes we found effects over time, with strongest effects within the IG from T0 to T1 in psychological distress (d = 0.73, 95%‐CI: [0.34; 1.12]) and anxiety (0.66, [0.26; 1.04]), but no group effects were significant at T1 and T2.ConclusionsPartnerCARE is feasible, acceptable and potentially efficacious. Based on received feedback, PartnerCARE is currently undergoing further development and subsequently efficacy will be investigated in a RCT.Trial Registration: German Clinical Trial Registration: DRKS00017019. Registered on 08 April 2019.
The role of millets in attaining United Nation's sustainable developmental goals
Authors: Antony Ceasar Stanislaus , Maharajan Theivanayagam 
Published: March 2022

Societal Impact StatementStrengthening food and nutrient security is crucial to feeding the ever‐growing world population. Millets provide energy and nutrients for millions of poor people in low‐ and middle‐income countries of Asia and Africa. Millets require less fertilizer and pesticide, unlike mainstream cereals, for cultivation. Millets supply superior nutrients and possess excellent climate resilience properties. Therefore, promotion of millets could help attain the sustainable developmental goals (SDGs) of the United Nations (UN).
Chitosan‐basedorganic/inorganic composite engineered forUV light‐controlledsmartpH‐responsivepesticide throughin situphoto‐inducedgeneration of acid
Authors: Liu Bin , Chen Chaowen , Teng Guopeng , Tian Geng , Zhang Guilong , Gao Yujie , Zhang Lihong , Wu Zhengyan , Zhang Jia 
Published: March 2022

AbstractBACKGROUNDConfined by the volatile property, pesticides are overused and lost significantly during and after spraying, weakening the ecological microbalance among different species of lives. Acid‐responsive pesticide is a type of smartly engineered pesticides that contribute to the improvement of utilization efficiency of pesticidal active ingredients in acid‐controlled manner, whilst the implementation of acidic solutions may disturb the balance of microenvironment surrounding targeted plants or cause secondary pollution, underscoring the input of acid in a more precise strategy.RESULTSChitosan was chemically modified with a photoacid generator (2‐nitrobenzaldehyde) serving as a light‐maneuvered acid self‐supplier, based on which a smart pesticide was formulated by the integration of attapulgite and organophosphate insecticide chlorpyrifos. Under the irradiation of UV light (365 nm), the modified chitosan would undergo a photolytic reaction to generate an acid and pristine chitosan, which seized the labile protons and facilitated the release of chlorpyrifos based on its inherent pH‐responsive flexibility. According to the pesticide release performance, the release rate of chlorpyrifos under UV light (27.2 mW/cm2) reached 78%, significantly higher than those under sunlight (22%, 4.2 mW/cm2) and in the dark (20%) within the same time, consistent with the pH reduction to 5.3 under UV light and no obvious pH change for the two other situations, exhibiting an attractive UV light‐controlled, acid‐propelled release behavior.CONCLUSIONCompared to direct acid spray approach, the proposedin situphoto‐induced generation of acid locally on the spots of applied pesticide circumvents the problem of acid contamination to nontargets, demonstrating higher efficiency and biocompatibility for the controlled delivery of acid‐responsive pesticides and pest management. © 2022 Society of Chemical Industry.
Helicoverpa zea (Lepidoptera: Noctuidae) feeding incidence and survival on Bt maize in relation to maize in the landscape
Authors: Arends Benjamin R. , Reisig Dominic D. , Gundry Shawnee , Greene Jeremy K. , Kennedy George G. , Reay‐Jones Francis P.F. , Huseth Anders S. 
Published: March 2022

AbstractBackgroundCharacterizing Helicoverpa zea (Boddie) damage to maize (Zea mays L.) in relation to the spatiotemporal composition of Bt crops is essential to understand how landscape composition affects H. zea abundance. To examine this relationship, paired Bt (expressing Cry1A.105 + Cry2Ab2) and non‐Bt maize plots were sampled across North and South Carolina during 2017–2019. Kernel damage and larval exit holes were measured following larval development. To understand how maize abundance surrounding sample sites related to feeding damage and larval development, we quantified maize abundance in a 1 km buffer surrounding the sample site and examined the relationship between local maize abundance and kernel damage and larval exit holes.ResultsAcross the years and locations, damage in Bt maize was widespread but significantly lower than in non‐Bt maize, indicating that despite the widespread occurrence of resistance to Cry toxins in maize, Bt maize still provides a measurable reduction in damage. There were negative relationships between kernel injury and ears with larval exit holes in both Bt and non‐Bt maize and the proportion of maize in the landscape during the current year.ConclusionDespite the widespread occurrence of resistance to Cry toxins in maize, this resistance is incomplete, and on average Bt maize continues to provide a measurable reduction in damage. We interpret the negative relationship between abundance of maize within 1 km of the sample location and maize infestation levels, as measured by kernel damage and larval exit holes, to reflect dispersion of the ovipositing moth population over available maize within the local landscape. © 2022 The Authors. Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Paper as an alternative for collation shrink film
Authors: Roman Jannes , Nica Ward , Teerlinck‐Boelens Gilles , Slaets Peter , Juwet Marc 
Published: March 2022

AbstractCollation shrink film is often used for bundling single packages of consumer goods. Like other plastic films, this type of film is currently under social pressure. Paper could be an environmentally friendly alternative if a suitable type of paper can be applied in such a way that the requirements for manipulation and transport of the bundles are met. In this study, the use of paper for bundling bottles is experimentally investigated. The study focuses on bundles of six PET bottles of 1.5 L containing flat water and sparkling water. Suitability of a paper‐based bundling method is evaluated in terms of rigidity of the bundle and in terms of resistance to horizontal inertial forces that inevitably occur during transport. Behaviour of collation shrink film‐based bundles is taken as a minimum performance level. The study shows that various paper‐based bundling methods can technically qualify as a replacement for collation shrink film and even offer additional benefits. A particular promising concept consists of a band of paper that is stretched around the bottles. It allows lifting the bottles by grasping two caps only, and it beats shrink film regarding resistance to varying horizontal inertia forces. Further research is necessary to optimise the concept and to adopt it for a wider range of products and for industrial use.
Biochemical, colour and sensory attributes of pasteurized sugarcane juice stored in high‐density polyethylene‐based nanocomposite films
Authors: Manikantan M. R. , Pandiselvam R. , Arumuganathan T. , Khanashyam Anandu Chandra , Varadharaju N. 
Published: March 2022

AbstractThe shelf life of the sugarcane juice (‘Mandya’ variety Co 62175), packed in high‐density polyethylene‐based nanocomposite films, was investigated for 60 days with 15 different combinations and thickness of nanoclay and compatibilizer. To assess the product's stability, physicochemical, microbiological and sensory tests were performed at 15‐day intervals. The bio‐chemical quality attributes, namely, total sugars, pH, total soluble solids and overall acceptability scores, were found to decline with regard to storage period under ambient conditions. The pH, total soluble solids (TSS) and total sugar content varied from 5.18–4.83, 19.20–18.10°Brix and 18.21–17.54 g/100, respectively. The microbial quality of the stored juice was found to be depended on the quantity of compatibilizer, nanoclay and thickness of the packaging film. Among the developed nanocomposite high‐density polyethylene (HDPE) films, material E (with 2% and 5% of nanoclay and compatibilizer, with 100‐μm thickness) and material G (with 6% and 5% of nanoclay and compatibilizer, with 100‐μm thickness) showed better physiochemical stability with zero microbial population in the sugarcane juice.
A Multi‐Scale Interface Modeling Study of CNT/rGO Electrode for Lithium‐Oxygen Battery**
Authors: Zhang Tianyu , Li Jie , Li Qiang , Zheng Yang , Yu Mingfu , Sun Hong 
Published: March 2022

AbstractLithium‐air batteries have high requirements for the structural characteristics and adsorptivity of catalytic electrodes. It is essential to clarify the functions of various materials in catalytic electrodes. In this paper, the mesoscopic mass transfer model and microscopic adsorption model of lithium‐oxygen battery electrodes are developed to study the mass transfer and adsorption process at the interface of the catalytic electrode. Diffusion coefficients, ionic conductivity, radial distribution function, adsorption energy, and charge distribution are analyzed. It is found that the improvement of the graphene mass ratio can promote the diffusion of Li+, oxygen and improve the ionic conductivity of the electrolyte. Meanwhile, graphene has a general absorption capacity for reactants. Adding a small number of carbon nanotubes can effectively enhance the adsorptivity of oxygen. In this way, the high mass transfer efficiency and effective adsorption of reactants required by the catalytic electrode can be met simultaneously. This plays a guiding role in optimizing the catalytic electrode of the lithium‐air battery.
V2O3/MnS Arrays as Bifunctional Air Electrode for Long‐Lasting and Flexible Rechargeable Zn‐Air Batteries
Authors: Rao Yuan , Li Weili , Chen Shan , Yue Qin , Zhang Yanning , Kang Yijin 
Published: March 2022

AbstractExploring highly efficient, stable, and cost‐effective bifunctional electrocatalysts is crucial for the wide commercialization of rechargeable Zn–air batteries. Herein, a vanadium‐oxide‐based hybrid air electrode comprising a heterostructure of V2O3 and MnS (V2O3/MnS) is reported. The V2O3/MnS catalyst shows a decent catalytic activity that is comparable to Pt/C toward the oxygen reduction reaction and acceptable toward oxygen evolution. The extraordinary stability as well as the low cost set the V2O3/MnS among the best bifunctional oxygen electrocatalysts. In a demonstration of an assembled liquid‐state Zn–air battery using V2O3/MnS as cathode, high power density (118 mW cm−2), specific capacity (808 mAh gZn−1), and energy density (970 Wh kgZn−1), as well as the outstanding rechargeability and durability for 4000 cycles (>1333 h, i.e., >55 days) are enabled. The V2O3/MnS is also integrated into an all‐solid‐state Zn‐air battery to demonstrate its great potential as a flexible power source for next‐generation electronics. Density functional theory calculations further elucidate the origin of the intrinsic activity and stability of the V2O3/MnS heterostructure.
In Vivo Kidney Allograft Endothelial Specific Scavengers for On‐Site Inflammation Reduction under Antibody‐Mediated Rejection
Authors: Liu Chang , Yan Pengpeng , Xu Xiaoyu , Zhou Wenhui , Prakash Dhayakumar Rajan , Wang Shuqi , Zhou Junnian , Wang Rending , Huang Hongfeng , Chen Jianghua , Zhang Hongbo , Shen Jia 
Published: March 2022

AbstractKidney transplantation is the most effective therapy for patients with end‐stage renal disease. However, antibody‐mediated rejection (ABMR) threatens long‐term survival of renal grafts. Although ABMR can be controlled by donor‐specific antibody clearance and B‐ or (and) plasma‐cells inhibition, the treatment often causes severe side effects in patients. Therefore, there is need to explore site‐specific scavengers. In this study, a nanovehicle carrying an anti‐inflammatory drug is developed with complement component 4d targeting, a specific biomarker expressed on allograft endothelium under ABMR. Moreover, the nanovehicle is endowed with photothermal properties to control drug release. Analysis through systematic in vitro and in vivo toxicity, non‐invasive targeted imaging, and in situ remote controlled drug release show the nanovehicle specifically targets allograft kidney endothelium, releases an anti‐inflammatory drug, methylprednisolone, locally upon laser irradiation, and promotes recovery of injured endothelium, without affecting systemic inflammation or innate immune responses. This strategy has the potential for future clinical application in ABMR treatment.
Cation/Anion Dual‐Vacancy Pair Modulated Atomically‐Thin Sex‐Co3S4 Nanosheets with Extremely High Water Oxidation Performance in Ultralow‐Concentration Alkaline Solutions
Authors: Gu Xiangyao , Li Shuangshuang , Shao Wenqian , Mu Xueqin , Yang Yuxin , Ge Yu , Meng Weitao , Liu Guangxiang , Liu Suli , Mu Shichun 
Published: March 2022

AbstractThe density functional theory calculation results reveal that the adjacent defect concentration and electronic spin state can effectively activate the CoIII sites in the atomically thin nanosheets, facilitating the thermodynamic transformation of *O to *OOH, thus offering ultrahigh charge transfer properties and efficiently stabilizing the phase. This undoubtedly evidences that, for metal sulfides, the atom‐scale cation/anion vacancy pair and surface electronic spin state can play a great role in enhancing the oxygen evolution reaction. Inspired by the theoretical prediction, interconnected selenium (Se) wired ultrathin Co3S4 (Sex‐Co3S4) nanosheets with Co/S (Se) dual‐vacancies (Se1.0‐Co3S4‐VS/Se‐VCo) pairs are constructed by a simple approach. As an efficient sulfur host material, in an ultralow‐concentration KOH solution (0.1 m), Se1.0‐Co3S4‐VS/Se‐VCo presents outstanding durability up to 165 h and a low overpotential of 289.5 mV at 10 mA cm–2, which outperform the commercial Co3S4 nanosheets (NSs) and RuO2. Moreover, the turnover frequency of Se1.0‐Co3S4‐VS/Se‐VCo is 0.00965 s–1 at an overpotential of 0.39 V, which is 5.7 times that of Co3S4 NSs, and 5.8 times that of commercial RuO2. The finding offers a rational design strategy to create the multi‐defect structure in catalysts toward high‐efficiency water electrolysis.
Characterizing duplicate bugs: Perceptions of practitioners and an empirical analysis
Authors: Kucuk Berfin , Hanhan Idil , Tuzun Eray 
Published: March 2022

AbstractBug handling is an essential part of the software development process. Ideally, in a bug‐tracking system, bugs are reported, fixed, verified, and closed. In some cases, bugs have to be reopened mostly due to an incorrect fix. However, instead of reopening the existing bug report, users may submit a new report for a previously reported bug, which results in duplicate bug reports. Users might report duplicate bugs if they miss the previous bug report or if the previous bug is unresolved (i.e., in progress) and therefore cannot be reopened. These duplicate bug reports may cost extra maintenance efforts in triaging and bug fixing. There have been several studies on characterizing reopened bugs and duplicate bug reports; however, to the best of our knowledge, there has been no prior work on understanding the dynamics of their interaction, which ismissed reopenbugs. Our study is based on analyzing the difference between duplicate and nonduplicate bugs and further categorizing the duplicate bugs. In this regard, we categorize duplicate bugs according to the original bug's resolution status at the duplicate's creation time as Master‐Unresolved bugs and Master‐Resolved (Missed Reopen) bugs to distinguish their properties. We compare these two types of bugs in terms of their relationship to their master bug, bug surface time, bug fix time, bug's severity, and the number of users involved. We perform case studies using the Eclipse and Mozilla projects' bug repositories that include more than 165,500 and 394,000 bug reports, respectively. Additionally, we investigate the perceived importance, impact, and causes of duplicate bugs, as well as the difference between nonduplicate and duplicate bugs and its categories for practitioners in the software industry by conducting a survey.
Stabilisierung von Z‐Kantprofilen unter abhebenden Lasten
Authors: Krieglstein Tim , Lener Gerhard , Naujoks Bernd , Kühn Bertram 
Published: March 2022

AbstractSandwichelemente sind in der Lage, ihre Unterkonstruktion gegen Versagen infolge Stabilitätsverlusts zu stützen. Besonders für die im Metallleichtbau eingesetzten dünnwandigen Z‐Kantprofile als Dachpfette lassen sich praxisübliche Spannweiten häufig nur durch Berücksichtigung genannter Stabilisierung realisieren. Die Stabilisierung kann in der Mechanik als eine Kombination aus Schubfeld und Drehbettung beschrieben werden. Für die Lastkombination aus Eigengewicht und Windsog liegt jedoch i. d. R. das Schubfeld am unter Zugspannungen stehenden Gurt an, womit dem System lediglich marginale Stabilisierungseffekte zugeführt werden können. Zudem darf gem. deutschem NA zu DIN EN 1993‐1‐3 (NCI zu 10.1.5.2(2)) für zuvor genannte Lastkombination keine Stabilisierung infolge einer Drehbettung in Ansatz gebracht werden. Jüngste Untersuchungen zeigten zum einen, dass die in der Literatur angegebene Reduzierung der Drehbettung unter abhebenden Lasten zutrifft, bieten zum anderen jedoch abweichend von den in Fachkreisen kursierenden Ingenieurannahmen zwischen 100 % und 50 % Reduktion eine konkrete Quantifizierungsmöglichkeit. Somit wird eine qualifizierte Einschätzung der ansetzbaren Drehbettung unter abhebenden Lasten, begründet auf Bauteilversuchen sowie Berechnungen mithilfe der Methode der finiten Elemente, anhand eines mechanischen Modells ermöglicht. Die wissenschaftlichen Hintergründe hierzu sowie das mechanische Modell sind im nachfolgenden Aufsatz beschrieben.
Sleeping Beauties in Chemistry. Oosterhoff, Havinga and Schlatmann: Four Years Before “The Woodward‐Hoffmann Rules”†**
Authors: Seeman Jeffrey I. 
Published: March 2022

AbstractSeveral forerunners to the Woodward‐Hoffmann rules appear in the chemical literature in the early 1960s. While these precedents refer to orbital symmetry and explain either electrocyclic reactions (Luitzen Oosterhoff, cited by Egbert Havinga and Jos Schlatmann inTetrahedronin 1961) or some cycloaddition reactions (Kenichi Fukui, in a book chapter published in 1964), they did not attract any attention and did not serve to initiate any research prior to the publication of the five Woodward and Hoffmann communications in 1965. Even Woodward and Hoffmann were unaware of these precedents (though Hoffmann knew of Fukui's frontier orbital theory) until after they had completed the relevant portions of their work. The Oosterhoff‐Havinga‐Schlatmann story will be told in this paper; the Fukui story will be told in the next paper in this series on the history of the development of the Woodward‐Hoffmann rules. Explanations for these precedents not being productive in solving the no‐mechanism problem are discussed.