bluuebunny/crossref_metadata_2025_split huggingface dataset:
Woody encroachment in grassland elicits complex changes in the functional structure of above‐ and belowground biota
Authors: Sepp Siim‐Kaarel , Davison John , Moora Mari , Neuenkamp Lena , Oja Jane , Roslin Tomas , Vasar Martti , Öpik Maarja , Zobel Martin 
Published: May 2021

AbstractWoody plant encroachment affects dry grasslands globally. To predict changes in biodiversity and ecosystem processes, it is important to understand how this process affects the functional composition of grassland organism groups. In this context, seminatural wooded meadows represent a form of experimental manipulation—where open grassland and woody patches co‐occur in homogeneous environmental conditions due to human management decisions—which provides an opportunity to address the effect of woody plant encroachment on vegetation and soil biota. We used environmental DNA metabarcoding to address variation in plant, soil fungal, and soil animal communities in parallel. We also addressed functional groups of fungi—animal and plant pathogens, saprotrophs, decomposers, arbuscular mycorrhizal, ectomycorrhizal, endophytic, and other symbiotrophic fungi—and of soil animals—fungivores, bacterivores, litter feeders, root feeders, macro plant feeders, algal/lichen feeders, predators, and parasites. Co‐variation between communities was detected from aboveground vegetation plots and metabarcoding of soil DNA, in terms of estimated richness and compositional patterns. Differences between open and wooded patches were most pronounced among plants and symbiotic fungi, whereas soil animals exhibited less marked differences. For most organisms, mean richness, as well as total richness per habitat type, was higher in open than wooded patches, but ectomycorrhizal fungi exhibited the opposite pattern. The functional structure of the soil biotic community, as characterized by the proportion of DNA sequences attributed to different functional groups, differed significantly between open and wooded grassland patches, with symbiotic fungi (arbuscular mycorrhizal, ectomycorrhizal, and other symbiotrophic [mostly orchid mycorrhizal] fungi) contributing most to the difference. This study supports the notion that a soil DNA‐based metabarcoding approach can provide insights into the diversity and composition of multiple taxonomic groups in natural ecosystems. It also provides a first demonstration of the complex changes to the functional structure of the belowground community that accompany woody plant encroachment in grasslands.
Mechanisms of exTreg induction
Authors: Saxena Vikas , Lakhan Ram , Iyyathurai Jegan , Bromberg Jonathan S. 
Published: May 2021

AbstractCD4+CD25+Foxp3+ Tregs play an important role in the maintenance of the immune system by regulating immune responses and resolving inflammation. Tregs exert their function by suppressing other immune cells and mediating peripheral self‐tolerance. Under homeostatic conditions, Tregs are stable T‐cell populations. However, under inflammatory environments, Tregs are converted to CD4+CD25lowFoxp3low cells. These cells are termed “exTreg” or “exFoxp3” cells. The molecular mechanism of Treg transition to exTregs remains incompletely understood. Uncertainties might be explained by a lack of consensus of biological markers to define Treg subsets in general and exTregs in particular. In this review, we summarize known markers of Tregs and factors responsible for exTreg generation including cytokines, signaling pathways, transcription factors, and epigenetic mechanisms. We also identify studies demonstrating the presence of exTregs in various diseases and sources of exTregs. Understanding the biology of Treg transition to exTregs will help in designing Treg‐based therapeutic approaches.
Schiff Bases as Inspirational Motif for the Production of Ni(II) and Pd(II) Coordination and Novel Non‐Symmetric Ni(II)‐POCOP Pincer Complexes
Authors: Alberto Rosas‐Ortiz Jaime , Pioquinto‐Mendoza J. Roberto , González‐Sebastián Lucero , Hernandez‐Ortega Simon , Flores‐Alamo Marcos , Morales‐Morales David 
Published: May 2021

AbstractThe synthesis of Ni(II) and Pd (II) coordination complexes containing Schiff's bases derived from the condensation of 2,4‐dihydroxybenzaldehyde with 4‐chloroaniline (L1) or 3,5‐dichloroaniline (L2) is described. The condensation of ligands L1 and L2 with chlorodiisopropylphosphine in the presence of a base produced the corresponding non‐symmetric pincer ligands POCOP‐1 and POCOP‐2 with the unexpected C−P bond formation by a hydrophosphorylation of the imine process. The new C−P bond formation probably occurring by a Kabachnik‐Field mechanism type without the requirement of catalysts or additional reagents. Further treatment of ligands POCOP‐1 or POCOP‐2 with NiCl2 afforded the non‐symmetric pincer complexes Ni(II)‐POCOP‐1 and Ni(II)‐POCOP‐2. The crystal structures of L1, 3, Ni(II)‐POCOP‐1 and Ni(II)‐POCOP‐2 were unequivocally determined by single crystal X‐ray diffraction studies. In addition, the metal complexes were used as catalysts in Suzuki‐Miyaura couplings under microwave irradiation, being the Pd(II) derivatives the best catalysts of the series when compared to their Ni(II) analogues under the same reaction conditions.
Spin Crossover and Field‐Induced Single‐Molecule Magnet Behaviour in Co(II) Complexes Based on Terpyridine with Tetrathiafulvalene Analogues
Authors: Tiaouinine Siham , Flores Gonzalez Jessica , Lefeuvre Bertrand , Guizouarn Thierry , Cordier Marie , Dorcet Vincent , Kaboub Lakehmici , Cador Olivier , Pointillart Fabrice 
Published: May 2021

AbstractTwo new TTF‐based ligands involving terpyridine moiety (L1=4‐(4′‐Methyl‐phenyl‐2,2 : 6’,2’’‐terpyridine −4‐ylmethylthio)‐5‐(2‐cyanoethylthio)‐4′,5′‐bis(methylthio)tetrathiafulvene and L2=4‐(4′‐Methyl‐phenyl‐2,2 : 6’,2’’‐terpyridine −4‐ylmethylthio)‐5‐(2‐cyanoethylthio)‐4′,5′‐bis(propylthio)tetrathiafulvene) have been synthesized and seven related mononuclear complexes were isolated as single crystals. The 2 : 1 (ligand : metal) complexes of formula [Co(L1)2](NO3)2 (2) and [Co(L1)2](BF4)2 (3) displayed thermal spin crossover transition while the 1 : 1 complexes of formula [CoCl2(L1)](DMF)2 (4), [CoBr2(L1)] ⋅ (DMF) (5), [CoCl2(L2)] ⋅ (DMF) ⋅ 0.5(Et2O) (6) and [CoBr2(L2)] ⋅ (DMF) (7) displayed slow magnetic relaxation through either Raman or Raman/Direct combination processes. A relationship between the structure and the nature of the magnetic relaxation processes is proposed.
H3CSA: A makespan aware task scheduling technique for cloud environments
Authors: Mishra Ashutosh , Narayan Sahoo Manmath , Satpathy Anurag 
Published: May 2021

AbstractTask scheduling is essential to enhance the performance of large scale collaborative and distributed e‐business and e‐science applications. A typical such application comprises multiple communicating tasks to be executed on virtualized resources also called as virtual machines (VMs). However, scheduling multiple tasks to VMs is non‐trivial and is proven to be NP‐Complete. The primary agenda of any scheduling technique is to reduce the makespan, which reflects the completion time of the exit task. Focusing on makespan reduction for scheduling multiple tasks across heterogeneous VMs, in this paper, we propose a model called H3CSA based on a meta‐heuristic crow search algorithm (CSA). In order to assess the performance of H3CSA, its performance is compared with baselines such as HEFT‐B, HEFT‐T, HEFT‐L, a genetic algorithm based technique (N‐GA) and particle swarm optimization based technique (PPSO). Simulation results show improved performance of H3CSA with respect to N‐GA and PPSO for smaller applications. However, considering sizeable applications H3CSA shows comparable performance with respect to N‐GA and improved results for PPSO.
Investigation of inner‐basin variation: Impact of large reservoirs on water regimes of downstream water bodies
Authors: Dai Xue , Yu Zhongbo , Yang Guishan , Xu Chong‐Yu , Wan Rongrong 
Published: May 2021

AbstractLarge dams and reservoirs alter not only the natural flow regimes of streams and rivers but also their flooding cycles and flood magnitudes. Although the effect of dams and reservoirs has been reported for some vulnerable locations, the understanding of the inner‐basin variation with respect to the effects remains limited. In this study, we analyse the Three Gorges Dam (TGD) built on the Changjiang mainstream (Yangtze River) to investigate the dam effect variations in the system of interconnected water bodies located downstream. We investigated the effect of flow alterations along the downstream river network using discharge time series at different gauging stations. The river–lake interactions (referring to the interactions between the Changjiang mainstream and its tributary lakes i.e. the Dongting and Poyang lakes) and their roles in modifying the TGD effect intensity were also investigated in the large‐scale river–lake system. The results show that the water storage of the tributary lakes decreased after the activation of the TGD. Severe droughts occurred in the lakes, weakening their ability to recharge the Changjiang mainstream. As a consequence, the effect of the TGD on the Changjiang flow increase during the dry season diminished quickly downstream of the dam, whereas its impact on the flow decrease during the wet season gradually exacerbated along the mainstream, especially at sites located downstream of the lake outlets. Therefore, when assessing dam‐induced hydrological changes, special attention should be paid to the changes in the storage of tributary lakes and the associated effects in the mainstream. This is of high importance for managing the water resource trade‐offs between different water bodies in dam‐affected riverine systems.
Spatio-temporal variations in fine particulate matter and evaluation of associated health risk over Pakistan
Authors: Mariam Ayesha , Tariq Salman , Ul-Haq Zia , Mehmood Usman 
Published: May 2021

Abstract
Human health and the environment are adversely affected by fine particulate matter. By utilizing standard deviation ellipse and trend analyses, we studied the spatial patterns and temporal trends of PM2.5 over Pakistan from 1998 to 2016. The outcomes of these analyses indicated that PM2.5 concentrations were considerably amplified in Pakistan, particularly in the provinces of Punjab and Sindh. The areal extent of PM2.5 concentrations below 15 μg/m3 declined constantly, and the area with PM2.5 concentrations above 35 μg/m3 increased significantly. The highly affected cities were Lahore, Faisalabad, Multan, Southern Gujranwala, Dera Ghazi Khan, Bahawalpur, Sukkur, and Larkana. Overall, the northwest–southeast axis experienced more rapid variations in the spatial pattern of PM2.5 than the northeast–southwest axis; similarly, the east–north axis also experienced faster changes in the spatial distribution of this crucial pollutant than the west–south axis. To support nationwide air pollution control, a two-tier level was recommended for allocated regions in Pakistan depending on their PM2.5 concentrations. From 1998 to 2016, health risks expanded and increased in Pakistan, particularly in Lahore, Karachi, Multan, Gujranwala, Faisalabad, and Hyderabad; these are Pakistan's most populated cities. The outcomes of this study suggest that human health is continuously affected by PM2.5 in Pakistan, and that a plan of action to combat air pollution is immediately needed. Integr Environ Assess Manag 2021;17:1243–1254. © 2021 SETAC
KEY POINTS
The outcomes of this analysis indicated that PM2.5 concentration amplified considerably in Pakistan during the period 1998–2016. The areal extent of PM2.5 concentration above 35 µg/m3 augmented significantly. Highly affected cities were Lahore, Faisalabad, Multan, Southern Gujranwala, Dera Ghazi Khan, Bahawalpur, Sukkur and Larkana. To support nationwide air pollution control, a two-tier level has been recommended for allocated regions depending on the concentration of PM2.5 in Pakistan.
Kinetic degradation and biocompatibility evaluation of polycaprolactone‐based biologics delivery matrices for regenerative engineering of the rotator cuff
Authors: Prabhath Anupama , Vernekar Varadraj N. , Vasu Vignesh , Badon Mary , Avochinou Jean‐Emmanuel , Asandei Alexandru D. , Kumbar Sangamesh G. , Weber Eckhard , Laurencin Cato T. 
Published: May 2021

AbstractWhereas synthetic biodegradable polymers have been successfully applied for the delivery of biologics in other tissues, the anatomical complexity, poor blood supply, and reduced clearance of degradation byproducts in the rotator cuff create unique design challenges for implantable biomaterials. Here, we investigated lower molecular weight poly‐lactic acid co—epsilon‐caprolactone (PLA‐CL) formulations with varying molecular weight and film casting concentrations as potential matrices for the therapeutic delivery of biologics in the rotator cuff. Matrices were fabricated with target footprint dimensions to facilitate controlled and protected release of model biologic (Bovine Serum Albumin), and anatomically‐unhindered implantation under the acromion in a rodent model of acute rotator cuff repair. The matrix obtained from the highest polymeric‐film casting concentration showed a controlled release of model biologics payload. The tested matrices rapidly degraded during the initial 4 weeks due to preferential hydrolysis of the lactide‐rich regions within the polymer, and subsequently maintained a stable molecular weight due to the emergence of highly‐crystalline caprolactone‐rich regions. pH evaluation in the interior of the matrix showed minimal change signifying lesser accumulation of acidic degradation byproducts than seen in other bulk‐degrading polymers, and maintenance of conformational stability of the model biologic payload. The context‐dependent biocompatibility evaluation in a rodent model of acute rotator cuff repair showed matrix remodeling without eliciting excessive inflammatory reaction and is anticipated to completely degrade within 6 months. The engineered PLA‐CL matrices offer unique advantages in controlled and protected biologic delivery, non‐toxic biodegradation, and biocompatibility overcoming several limitations of commonly‐used biodegradable polyesters.
QSARINS‐Chem standalone version: A new platform‐independent software to profile chemicals for physico‐chemical properties, fate, and toxicity
Authors: Chirico Nicola , Sangion Alessandro , Gramatica Paola , Bertato Linda , Casartelli Ilaria , Papa Ester 
Published: May 2021

AbstractThe new software QSARINS‐Chem standalone version is a multiplatform tool, freely downloadable, for the in silico profiling of multiple properties and activities of organic chemicals. This software, which is based on the concept of the QSARINS‐chem module embedded in the QSARINS software, has been fully redesigned and redeveloped in the Java™ language. In addition to a selection of models included in the old module, the new software predicts biotransformation rates and aquatic toxicities of pharmaceuticals and personal care products in multiple organisms, and offers a suite of tools for the analysis of predictions. Furthermore, a comprehensive and transparent database of molecular structures is provided. The new QSARINS‐Chem standalone version is an informative and solid tool, which is useful to support the assessment of the potential hazard and risks related to organic chemicals and is dedicated to users which are interested in the application of QSARs to generate reliable predictions.
Path planning in three dimensional live environment with randomly moving obstacles for viscoelastic bio‐particle
Authors: Korayem Moharam Habibnejad , Rastegar Zahra 
Published: May 2021

AbstractSignificant capabilities of atomic force microscopy (AFM) such as operating in various environments and scales made it a useful device in different operations. According to AFM abilities and applications, in this work, the path through the live environment with fixed and moving obstacles that are distributed all over the space randomly has been provided. The optimized path has been discovered in this article based on the applications mentioned above. Since for biological applications, the tool's accuracy plays an important role in success and reliability of the operation, in this article, the cost function is defined as combination of the tool's error, the maximum applied force on the tool, and the maximum deformation of the particle to be minimized. In this regard, constraints which limit the particle's motion and speed such as critical force and time and the maximum applied force have been considered. While in living environment obstacle existence is possible, fixed and moving obstacles with random profile and distribution will be considered. Routing of viscoelastic particle considering above conditions has been performed and comparison with the previous works proved the correctness of the path. The effects of different constraints have been compared using path optimization in different situations. The time of path planning for critical force and time was about 117.657, for the maximum applied force 118.240, and for all constraints together was 120.540 s which shows that the applied force constraint has been more effective than others and increases path planning time.
Characterization of brain‐derived extracellular vesicle lipids in Alzheimer's disease
Authors: Su Huaqi , Rustam Yepy H. , Masters Colin L. , Makalic Enes , McLean Catriona A. , Hill Andrew F. , Barnham Kevin J. , Reid Gavin E. , Vella Laura J. 
Published: May 2021

AbstractLipid dyshomeostasis is associated with the most common form of dementia, Alzheimer's disease (AD). Substantial progress has been made in identifying positron emission tomography and cerebrospinal fluid biomarkers for AD, but they have limited use as front‐line diagnostic tools.Extracellular vesicles (EVs) are released by all cells and contain a subset of their parental cell composition, including lipids. EVs are released from the brain into the periphery, providing a potential source of tissue and disease specific lipid biomarkers. However, the EV lipidome of the central nervous system is currently unknown and the potential of brain‐derived EVs (BDEVs) to inform on lipid dyshomeostasis in AD remains unclear.The aim of this study was to reveal the lipid composition of BDEVs in human frontal cortex, and to determine whether BDEVs have an altered lipid profile in AD. Using semi‐quantitative mass spectrometry, we describe the BDEV lipidome, covering four lipid categories, 17 lipid classes and 692 lipid molecules. BDEVs were enriched in glycerophosphoserine (PS) lipids, a characteristic of small EVs. Here we further report that BDEVs are enriched in ether‐containing PS lipids, a finding that further establishes ether lipids as a feature of EVs.BDEVs in the AD frontal cortex offered improved detection of dysregulated lipids in AD over global lipid profiling of this brain region. AD BDEVs had significantly altered glycerophospholipid and sphingolipid levels, specifically increased plasmalogen glycerophosphoethanolamine and decreased polyunsaturated fatty acyl containing lipids, and altered amide‐linked acyl chain content in sphingomyelin and ceramide lipids relative to CTL. The most prominent alteration was a two‐fold decrease in lipid species containing anti‐inflammatory/pro‐resolving docosahexaenoic acid.The in‐depth lipidome analysis provided in this study highlights the advantage of EVs over more complex tissues for improved detection of dysregulated lipids that may serve as potential biomarkers in the periphery.
Comparative analyses of ACE2 and TMPRSS2 gene: Implications for the risk to which vertebrate animals are susceptible to SARS‐CoV‐2
Authors: Huang Chen , Jiang Yu , Yan Jie 
Published: May 2021

AbstractAlong with the control and prevention of coronavirus disease 2019 transmission, infected animals might have potential to carry the virus to spark new outbreaks. However, very few studies explore the susceptibility of animals to severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2). Viral attachment as a crucial step for cross‐species infection requires angiotensin‐converting enzyme 2 (ACE2) as a receptor and depends on TMPRSS2 protease activity. Here, we searched the genomes of metazoans from different classes using an extensive BLASTP survey and found ACE2 and TMPRSS2 occur in vertebrates, but some vertebrates lack Tmprss2. We identified 6 amino acids among 25 known human ACE2 residues are highly associated with the binding of ACE2 to SARS‐CoV‐2 (p value < .01) by Fisher exact test, and following this, calculated the probability of viral attachment within each species by the randomForest function from R randomForest library. Furthermore, we observed that Ace2 selected from seven animals based on the above analysis lack the hydrophobic contacts identified on human ACE2, indicating less affinity of SARS‐CoV‐2 to Ace2 in animals than humans. Finally, the alignment of 3D structure between human ACE2 and other animals by I‐TASSER and TM‐align displayed a reasonable structure for viral attachment within these species. Taken together, our data may shed light on the human‐to‐animal transmission of SARS‐CoV‐2.
Complement levels at admission as a reflection of coronavirus disease 2019 (COVID‐19) severity state
Authors: Henry Brandon Michael , Szergyuk Ivan , de Oliveira Maria Helena Santos , Lippi Giuseppe , Benoit Justin L. , Vikse Jens , Benoit Stefanie W. 
Published: May 2021

AbstractComplement system hyperactivation has been proposed as a potential driver of adverse outcomes in severe acute respiratory syndrome coronavirus 2 infected patients, given prior research of complement deposits found in tissue and blood samples, as well as evidence of clinical improvement with anticomplement therapy. Its role in augmenting thrombotic microangiopathy mediated organ damage has also been implicated in coronavirus disease 2019 (COVID‐19). This study aimed to examine associations between complement parameters and progression to severe COVID‐19 illness, as well as correlations with other systems. Blood samples of COVID‐19 patients presenting to the emergency department (ED) were analyzed for a wide panel of complement and inflammatory biomarkers. The primary outcome was COVID‐19 severity at index ED visit, while the secondary outcome was peak disease severity over the course of illness. Fifty‐two COVID‐19 patients were enrolled. C3a (p = 0.018), C3a/C3 ratio (p = 0.002), and sC5b‐9/C3 ratio (p = 0.021) were significantly elevated in with severe disease at ED presentation. Over the course of illness, C3a (p = 0.028) and C3a/C3 ratio (p = 0.003) were highest in the moderate severity group. In multivariate regression controlled for confounders, complement hyperactivation failed to predict progression to severe disease. C3a, C3a/C3 ratio, and sC5b‐9/C3 ratio were correlated positively with numerous inflammatory biomarkers, fibrinogen, and VWF:Ag, and negatively with plasminogen and ADAMTS13 activity. We found evidence of complement hyperactivation in COVID‐19, associated with hyperinflammation and thrombotic microangiopathy. Complement inhibition should be further investigated for potential benefit in patients displaying a hyperinflammatory and microangiopathic phenotype.