bluuebunny/crossref_metadata_2025_split huggingface dataset:
Theoretical insights into molecular mechanism and energy criteria of PARP‐2 enzyme inhibition by benzimidazole analogues
Authors: Venugopal Pushyaraga P , M Shilpa , Chakraborty Debashree 
Published: March 2021

AbstractThe emergence of poly (ADP‐ribose) polymerase (PARP) inhibitors targeting a class of PARP enzymes has gained a great interest in cancer therapy. Majority of the PARP inhibitors are not isoform‐selective which may cause unwanted off‐target effects. In the present study, we explore the molecular mechanism and energy requirements for PARP‐2 inhibition. This involves docking studies, frontier molecular orbital analysis, 500 ns molecular dynamics simulation (MD), binding free energy analysis and principal component analysis. The results clearly suggest the importance of hydrogen bonding (Gly429, Gln332, Ser470, Tyr455) and π‐π stacking interactions (His428, Tyr455, Tyr462, Phe463, Tyr473) between residues and the inhibitor. Presence of lowest unoccupied molecular orbitals favors π‐π stacking interactions and highest occupied molecular orbital orbital favors hydrogen‐bonding interactions in the ligands. The stability of most active/PARP‐2 complex is confirmed by hydrogen bonding and π‐π stacking interaction parameters. Molecular‐mechanics Poisson‐Boltzmann surface area energy calculations showed that van der Waals and nonpolar solvation energy terms are crucial components for the stable binding of the ligands. Per residue analysis showed that tyrosine, histidine, and phenyl alanine residues are responsible for hydrophobic interactions with the ligands. Four new inhibitors are designed based on this study and the stability of PARP‐2/inhibitor complex is validated by MD, density functional theory studies, and ADME/toxicity properties. Information from the present study can serve as a basis for designing new isoform‐selective PARP‐2 inhibitors.
A world‐wide analysis of reduced sensitivity to DMI fungicides in the banana pathogen Pseudocercospora fijiensis
Authors: Chong Pablo , Essoh Josué Ngando , Arango Isaza Rafael E , Keizer Paul , Stergiopoulos Ioannis , Seidl Michael F , Guzman Mauricio , Sandoval Jorge , Verweij Paul E , Scalliet Gabriel , Sierotzski Helge , de Lapeyre de Bellaire Luc , Crous Pedro W , Carlier Jean , Cros Sandrine , Meijer Harold J G , Peralta Esther Lilia , Kema Gert H J 
Published: March 2021

AbstractBACKGROUNDPseudocercospora fijiensis is the causal agent of the black leaf streak disease (BLSD) of banana. Bananas are important global export commodities and a major staple food. Their susceptibility to BLSD pushes disease management towards excessive fungicide use, largely relying on multisite inhibitors and sterol demethylation inhibitors (DMIs). These fungicides are ubiquitous in plant disease control, targeting the CYP51 enzyme. We examined sensitivity to DMIs in P. fijiensis field isolates collected from various major banana production zones in Colombia, Costa Rica, Dominican Republic, Ecuador, the Philippines, Guadalupe, Martinique and Cameroon and determined the underlying genetic reasons for the observed phenotypes.RESULTSWe observed a continuous range of sensitivity towards the DMI fungicides difenoconazole, epoxiconazole and propiconazole with clear cross‐sensitivity. Sequence analyses of PfCYP51 in 266 isolates showed 28 independent amino acid substitutions, nine of which correlated with reduced sensitivity to DMIs. In addition to the mutations, we observed up to six insertions in the Pfcyp51 promoter. Such promoter insertions contain repeated elements with a palindromic core and correlate with the enhanced expression of Pfcyp51 and hence with reduced DMI sensitivity. Wild‐type isolates from unsprayed bananas fields did not contain any promoter insertions.CONCLUSIONThe presented data significantly contribute to understanding of the evolution and global distribution of DMI resistance mechanisms in P. fijiensis field populations and facilitate the prediction of different DMI efficacy. The overall reduced DMI sensitivity calls for the deployment of a wider range of solutions for sustainable control of this major banana disease. © 2021 The Authors. Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Soybean β‐conglycinin and catfish cutaneous mucous p22 glycoproteins deteriorate sporangial cell walls of Pseudoperonospora cubensis and suppress cucumber downy mildew
Authors: Atallah Osama O , Osman Ali , Ali Mohamed AS , Sitohy Mahmoud 
Published: March 2021

AbstractBACKGROUNDCucumber plants suffer from a serious threatening disease, downy mildew, throughout the growing seasons irrespective of the weather temperature. The causal agent, Pseudoperonospora cubensis, tends to evolve rapidly upon sequential applications of chemical fungicides and generate new progeny possessing tolerance to such fungicides. Glycoproteins represent an environmentally safe alternative for chemically synthetized fungicides and do not trigger fungicide resistance. We studied the antifungal activity of four glycoproteins namely soybean β‐conglycinin, chickpea vicilin, duck egg ovomucin and catfish p22 against P. cubensis. Ten commercial fungicides of different chemical groups were used as positive controls of glycoprotein treatments.RESULTSThe results revealed that soybean β‐conglycinin and catfish p22 glycoproteins possess significant antifungal activity against P. cubensis. The amount of disease suppression caused by β‐conglycinin and p22 was comparable to the highly efficient chemical fungicides containing copper oxychloride, cymoxanil and fosetyl Al as active ingredients. Vicilin and ovomucin were less efficient biocides as they gave moderate suppression of disease severity. However, all tested glycoproteins provided full protection for the newly emerged cucumber leaves. Microscopic examination of glycoprotein‐treated leaves inferred the ability of catfish p22 and soybean β‐conglycinin to disrupt the integrity of sporangial cell walls of P. cubensis rendering them non‐viable compared to untreated ones. Expression levels of total phenolic compounds and the antioxidant enzymes catalase, superoxide dismutase and peroxidase were elevated upon glycoproteins application, which infers their involvement in disease suppression.CONCLUSIONThis report emphasizes the direct and indirect roles of glycoproteins in safe management of cucumber downy mildew disease. © 2021 Society of Chemical Industry.
Inoculum reduction and vector control on the temporal progress of citrus variegated chlorosis incidence
Authors: Bassanezi Renato B , Primiano Isabela V , Moreira Alécio S 
Published: March 2021

AbstractBACKGROUNDCitrus variegated chlorosis (CVC) is an important citrus disease caused by the sharpshooter‐transmitted bacterium Xylella fastidiosa subsp. pauca. Information about the efficacy of its disease management is bounded to either inoculum reduction or vector control. This study aimed to assess the role of different frequencies of roguing of symptomatic trees combined with different chemical control programs for the sharpshooters on CVC temporal progress. The experimental area was set up in October 2005 and had a 3 × 3 factorial design. Symptomatic tree removal intervals were every 28, 56, and 112 days to May 2012. Vector control treatments were no control, program A (PA), and program B (PB). Contact insecticides were sprayed every 28 (PA) or 14 (PB) days. Trees within both programs were treated with systemic and foliar insecticides to October 2008. After this, systemic insecticides were discontinued and only foliar treatments were applied. The number of diseased trees and the sharpshooter population were assessed to April 2015.RESULTSDetection of the first symptomatic trees was similar for all treatments and occurred, on average, in month 50 after planting. Sharpshooter population and cumulative disease incidence were similar for all roguing intervals and between vector control programs, differing in plots with no control. We observed a reduction over 85% in disease incidence for both PA and PB compared with no control.CONCLUSIONThese results support systematic control of sharpshooters as an efficient strategy for reducing CVC progress. © 2021 Society of Chemical Industry.
Analysing migrants' ageing in place as embodied practices of embedding through time: ‘Kilburn is not Kilburn any more’
Authors: Ryan Louise , Kilkey Majella , Lőrinc Magdolna , Tawodzera Obert 
Published: March 2021

AbstractThere is growing attention to how people navigate and make sense of particular places through the ageing process. Against this backdrop, there is increasing research on ageing in contexts of migration. Although much of this research focuses on retirement and return migration, comparatively less is known about migrants who remain in the destination society, especially in advanced old age. Drawing on qualitative data, we analyse the experiences of three groups of ageing migrants who have been less visible in research and policy (Caribbean, Irish, and Polish) and of those living in two U.K. sites (London and Yorkshire). Using the concept of embedding, we analyse migrants' identifications with and attachment to particular places over time. In so doing, we highlight not only how migrants negotiate dynamic local places through embodied ageing processes but also how these negotiations may be mediated by wider sociopolitical events including Brexit and the ‘Windrush scandal’.
Population responses to the 1976 South Dakota drought: Insights for wider drought migration research
Authors: McLeman Robert , Fontanella Francesca , Greig Clara , Heath George , Robertson Colin 
Published: March 2021

AbstractDroughts on the North American Great Plains once led to elevated levels of out‐migration from rural areas. Large‐scale drought migration has not been observed since the 1950s due to changes in land management and agricultural systems that lessened farm‐level vulnerability to drought. Have droughts had less observable population impacts in subsequent decades? Here, we present findings from an investigation of an unusually severe, localised drought that struck eastern South Dakota in 1976 and caused staggering financial losses to farms. County‐level population and net migration rates show an anomalous increase of migration into drought‐affected counties by male migrants in the age group 30–35 years, likely being return migrants coming to help on the family farm. Newspaper archives and interviews with retired farmers suggest that few people moved away during the 1976 drought; most adapted instead by selling off their livestock herds and taking on greater debt. However, a commonly expressed view is that the drought ‘softened up’ area farmers, increasing their vulnerability to interest rates that quadrupled in the three following years. The early 1980s saw high rates of farm failures, unemployment and population decline in counties that experienced the worst impacts of the 1976 drought, suggesting the drought had a lag effect on population patterns. The findings from this case study are consistent with the ‘lessening hypothesis’ that social and technological innovations reduce economic and population impacts of recurrent climatic risks but elevate vulnerability to less frequent, unusually severe events.
Eddy memory as an explanation of intraseasonal periodic behaviour in baroclinic eddies
Authors: Moon Woosok , Manucharyan Georgy E. , Dijkstra Henk A. 
Published: March 2021

AbstractThe baroclinic annular mode (BAM) is a leading‐order mode of the eddy kinetic energy in the Southern Hemisphere exhibiting oscillatory behaviour at intraseasonal time‐scales. The oscillation mechanism has been linked to transient eddy–mean flow interactions which remain poorly understood. Here we demonstrate that the finite memory effect in eddy‐heat flux dependence on the large‐scale flow can explain the origin of the BAM's oscillatory behaviour. We represent the eddy memory effect by a delayed integral kernel that leads to a generalized Langevin equation for the planetary‐scale heat equation. Using a mathematical framework for the interactions between planetary‐ and synoptic‐scale motions, we derive a reduced dynamical model of the BAM – a stochastically forced oscillator with a period proportional to the geometric mean between the eddy memory time‐scale and the diffusive eddy equilibration time‐scale. Our model provides a formal justification for the previously proposed phenomenological model of the BAM and could be used to explicitly diagnose the memory kernel and improve our understanding of transient eddy–mean flow interactions in the atmosphere.
Review of studies of severe acute respiratory syndrome related coronavirus–2 pathogenesis in human organoid models
Authors: Egilmezer Ece , Rawlinson William D 
Published: March 2021

SummarySevere acute respiratory syndrome related coronavirus‐2 (SARS‐CoV‐2) is the cause of Covid‐19 which was classified as a global pandemic in March 2020. The increasing global health and economic burden of SARS‐CoV‐2 has necessitated urgent investigations into the pathogenesis of disease and development of therapeutic and vaccination regimens. Human trials of vaccine and antiviral candidates have been undertaken, but basic pathogenetic studies are still required to inform these trials. Gaps in understanding of cellular infection by, and immunity to, SARS‐CoV‐2 mean additional models are required to assist in improved design of these therapeutics. Human organoids are three‐dimensional models that contain multiple cell types and mimic human organs in ex vivo culture conditions. The SARS‐CoV‐2 virus has been implicated in causing not only respiratory injury but also injury to other organs such as the brain, liver and kidneys. Consequently, a variety of different organoid models have been employed to investigate the pathogenic mechanisms of disease due to SARS‐CoV‐2. Data on these models have not been systematically assembled. In this review, we highlight key findings from studies that have utilised different human organoid types to investigate the expression of SARS‐CoV‐2 receptors, permissiveness, immune response, dysregulation of cellular functions, and potential antiviral therapeutics.
All Si3N4 Nanowires Membrane Based High‐Performance Flexible Solid‐State Asymmetric Supercapacitor
Authors: Yin Xuemin , Li Hejun , Han Liyuan , Meng Jiachen , Lu Jinhua , Song Qiang 
Published: March 2021

AbstractRecently, much attention has been drawn in the development of flexible energy storage devices due to the increasing demands for flexible/portable electronic devices with high energy density, low weight, and good flexibility. Herein, vertically oriented graphene nanosheets (VGNs) are in situ fabricated on the surface of free‐standing and flexible Si3N4 nanowires (NWs) membrane by plasma‐enhanced chemical vapor deposition (PECVD), which are directly used as flexible nanoscale conductive substrates. NiCo2O4 hollow nanospheres (HSs) and FeOOH amorphous nanorods (NRs) are finally prepared on Si3N4NWs@VGNs, which are served as the positive and negative electrodes, respectively. Profiting from the structural merits, the synthesized Si3N4NWs@VGNs@NiCo2O4HSs and Si3N4NWs@VGNs@FeOOHNRs membrane electrodes exhibit remarkable electrochemical performance. Using Si3N4NWs membrane as the separator, the assembled all Si3N4NWs membrane‐based flexible solid‐state asymmetric supercapacitor (ASC) with a wide operating potential window of 1.8 V yields the outstanding energy density of 96.3 Wh kg−1, excellent cycling performance (91.7% after 6000 cycles), and good mechanical flexibility. More importantly, this work provides a rational design strategy for the preparation of flexible electrode materials and broadens the applications of Si3N4NWs in the field of energy storage.
Biostratigraphy and taxonomy of Drumian (middle Cambrian) agnostid trilobites of the Manuels River Formation, Avalonian Newfoundland, Canada
Authors: Hildenbrand Anne , Austermann Gregor , Ifrim Christina , Bengtson Peter 
Published: March 2021

AbstractNew, accurately located and well‐preserved agnostid trilobite material has been collected from the type locality of the Drumian (middle Cambrian, Miaolingian) Manuels River Formation, Newfoundland, Canada. The well‐exposed grey to black shales containing the fauna were deposited on the former microcontinent Avalonia. Four interval zones for the succession are proposed, namely, the Tomagnostus fissus, Hypagnostus parvifrons, Ptychagnostus atavus and Ptychagnostus punctuosus zones. The Tomagnostus fissus and Ptychagnostus atavus zones are distinct from each other, which leads to a significantly shorter and stratigraphically higher Ptychagnostus atavus Zone compared with other sections (Scandinavia, South China, Utah and Nevada, Greenland). Specimens of Ptychagnostus atavus, however, occur abundantly, with 107 specimens identified in a short interval of the succession. The Ptychagnostus punctuosus Zone can be correlated globally. The faunal assemblage is comparable to that of Scandinavia, Greenland and England. Ptychagnostus affinis is recorded for the first time from Avalonia. The 1408 collected specimens were assigned to the suborders Agnostina and Eodiscina and to the families Peronopsidae and Ptychagnostidae, and Condylopygidae and Eodiscidae, respectively, with the following species: Peronopsis fallax (Linnarsson), Peronopsis scutalis (Hicks), Hypagnostus parvifrons (Linnarsson), Ptychagnostus punctuosus (Angelin), Ptychagnostus affinis (Brøgger), Ptychagnostus atavus (Tullberg), Tomagnostus fissus (Lundgren), Tomagnostus perrugatus (Grönwall), Pleuroctenium granulatum (Barrande) and Eodiscus punctatus (Salter).
Valorization of pulp and paper industry wastewater using sludge enriched with nitrogen‐fixing bacteria
Authors: Ospina‐Betancourth Carolina , Acharya Kishor , Allen Ben , Head Ian M. , Sanabria Janeth , Curtis Thomas P. 
Published: March 2021

AbstractNitrogen‐fixing bacteria (NFB) can reduce nitrogen at ambient pressure and temperature. In this study, we treated effluent from a paper mill in sequencing batch reactors (SBRs) and monitored the abundance and activity of NFB with a view to producing a sludge that could work as a biofertilizer. Four reactors were inoculated with activated sludge enriched with NFB and fed with a high C/N waste (100:0.5) from a paper mill. Though the reactors were able to reduce the organic load of the wastewater by up to 89%, they did not have any nitrogen‐fixing activity and showed a decrease in the putative number of NFB (quantified with qPCR). The most abundant species in the reactors treating high C/N paper mill wastewater was identified by Illumina MiSeq 16S rRNA gene amplicon sequencing as Methyloversatilis sp. (relative abundance of 4.4%). Nitrogen fixation was observed when the C/N ratio was increased by adding sucrose. We suspect that real‐world biological nitrogen fixation (BNF) will only occur where there is a C/N ratio ≤100:0.07. Consequently, operators should actively avoid adding or allowing nitrogen in the waste streams if they wish to valorize their sludge and reduce running costs.Practitioner points

Efficient biological wastewater treatment of low nitrogen paper mill effluent was achieved without nutrient supplementation.
The sludge was still capable of fixing nitrogen although this process was not observed in the wastewater treatment system.
This high C/N wastewater treatment technology could be used with effluents from cassava flour, olive oil, wine and dairy industries.
Data mining for energy systems: Review and prospect
Authors: Liu Wenxuan , Zhao Junhua , Wang Dianhui 
Published: March 2021

AbstractAn in‐depth study on big data mining is urgently needed for the next‐generation energy systems, which are characterized by a deep integration of cyber, physical, and social components. This paper presents an initial discussion on big data mining and its applications in intelligent energy systems. New progress in big data mining, such as deep learning, transfer learning, randomized learning, granular computing, and multisource data fusion, is introduced first. Some applications of data mining in energy systems, such as load forecasting and modeling, integrated power and transportation system, and electricity market forecasting and simulation, are discussed then. Moreover, some research problems in energy system data mining, such as cyber–physical–social system modeling and super‐resolution perception for smart meter data, which require further attention in the future, are also discussed.This article is categorized under:
Application Areas > Business and Industry
Sustainable Food Production Systems for Climate Change Mitigation: Indigenous Rhizobacteria for Potato Bio-fertilization in Tanzania
Authors: Aloo Becky Nancy , Mbega Ernest Rashid , Makumba Billy Amendi 
Published: March 2021

AbstractThe global rise in human population has led to the intensification of agricultural activities to meet the ever-rising food demand. The potato (Solanum tuberosum L.) is a crop with the potential to tackle food security issues in developing countries due to its short growth cycle and high nutrient value. However, its cultivation is heavily dependent on artificial fertilizers for yield maximization which culminates in global warming and other environmental problems. There is need, therefore, for its alternative fertilization technologies to mitigate climate change. This study evaluated the potential of indigenous rhizobacteria for potato cropping in Tanzania. Ten potato rhizobacterial isolates belonging to Enterobacter, Klebsiella, Citrobacter, Serratia, and Enterobacter genera were obtained from a previous collection from different agro-ecological areas in Tanzania. The isolates were characterized culturally, microscopically, biochemically, and by their carbohydrate utilization patterns. Their in vitro plant growth-promoting (PGP) traits such as nitrogen fixation, solubilization of phosphates, potassium, and zinc, and production of siderophores, indole acetic acid, and gibberellic acids were then evaluated. Lastly, sterilized potato seed tubers were bacterized with the inoculants and grown in pots of sterile soil in a screen-house using untreated plants as a control experiment. The potato rhizobacterial isolates had varying characteristics and showed varying in vitro PGP activities. The screen-house experiment also showed that the rhizobacterial treatments significantly (p < 0.05) enhanced different parameters associated with potato growth by up to 91% and established the potential of most of the isolates as alternative biofertilizers in potato cropping systems in Tanzania.
Free BMN correlators with more stringy modes
Authors: Du Bao-ning , Huang Min-xin 
Published: March 2021

Abstract
In the type IIB maximally supersymmetric pp-wave background, stringy excited modes are described by BMN (Berenstein-Madalcena-Nastase) operators in the dual $$ \mathcal{N} $$
N
= 4 super-Yang-Mills theory. In this paper, we continue the studies of higher genus free BMN correlators with more stringy modes, mostly focusing on the case of genus one and four stringy modes in different transverse directions. Surprisingly, we find that the non-negativity of torus two-point functions, which is a consequence of a previously proposed probability interpretation and has been verified in the cases with two and three stringy modes, is no longer true for the case of four or more stringy modes. Nevertheless, the factorization formula, which is also a proposed holographic dictionary relating the torus two-point function to a string diagram calculation, is still valid. We also check the correspondence of planar three-point functions with Green-Schwarz string vertex with many string modes. We discuss some issues in the case of multiple stringy modes in the same transverse direction. Our calculations provide some new perspectives on pp-wave holography.