bluuebunny/crossref_metadata_2025_split huggingface dataset:
Double‐crop soybean management practices for high yield and profitability
Authors: Rod Katherine S. , Bradley Carl A. , Shockley Jordan , Knott Carrie A. 
Published: July 2021

AbstractDouble‐crop soybean [Glycine max (L.) Merr.] production in Kentucky involves planting soybean after soft red winter wheat (Triticum aestivum L.) harvest during June and July. Double‐crop soybean yields are lower than full‐season soybean yield planted earlier in the spring. This research aimed to determine the effect of seeding rate, seed treatment, and applying foliar fungicide and insecticide at the R3 growth stage at two planting timings on double‐crop soybean seed yield, yield components, and seed quality. Field trials were established in Princeton, KY, in 2017, 2018, and 2019 after wheat harvest. Planting double‐crop soybean early, after wheat was harvested at 20 to 22% grain moisture, resulted in increased seed yield, seeds ft–2, and protein concentration compared with double‐crop soybean planted later. A seeding rate of 225,000 seeds acre–1 resulted in increased seed yield, seeds ft–2, and seed protein concentration compared with 150,000 seeds acre–1. A seed treatment including fungicides and an insecticide did not impact seed yield, yield components, or seed protein or oil concentration compared with no seed treatment. Applying a prophylactic foliar fungicide and insecticide treatment at the R3 growth stage increased seed yield and seed mass compared with an economic threshold application. In addition, the most intensive management (225,000 seeds acre–1, seed treatment, and prophylactic fungicide and insecticide) yielded ∼25% more than the base treatment and had more seeds ft–2. The results are the first to indicate the potential for intensive management practices to increase double‐crop soybean productivity in Kentucky.
Prediction of Chameleonic Efficiency
Authors: David Laurent , Wenlock Mark , Barton Patrick , Ritzén Andreas 
Published: July 2021

AbstractChameleonic properties, i. e., the capacity of a molecule to hide polarity in non‐polar environments and expose it in water, help achieving sufficient permeability and solubility for drug molecules with high MW. We present models of experimental measures of polarity for a set of 24 FDA approved drugs (MW 405‐1113) and one PROTAC (MW 1034). Conformational ensembles in aqueous and non‐polar environments were generated using molecular dynamics. A linear regression model that predicts chromatographic apparent polarity (EPSA) with a mean unsigned error of 10 Å2 was derived based on separate terms for donor, acceptor, and total molecular SASA. A good correlation (R2=0.92) with an experimental measure of hydrogen bond donor potential, Δlog Poct‐tol, was found for the mean hydrogen bond donor SASA of the conformational ensemble scaled with Abraham's A hydrogen bond acidity. Two quantitative measures of chameleonic behaviour, the chameleonic efficiency indices, are introduced. We envision that the methods presented herein will be useful to triage designed molecules and prioritize those with the best chance of achieving acceptable permeability and solubility.
MPI8 is Potent against SARS‐CoV‐2 by Inhibiting Dually and Selectively the SARS‐CoV‐2 Main Protease and the Host Cathepsin L**
Authors: Ma Xinyu R. , Alugubelli Yugendar R. , Ma Yuying , Vatansever Erol C. , Scott Danielle A. , Qiao Yuchen , Yu Ge , Xu Shiqing , Liu Wenshe Ray 
Published: July 2021

AbstractA number of inhibitors have been developed for the SARS‐CoV‐2 main protease (MPro) as potential COVID‐19 medications but little is known about their selectivity. Using enzymatic assays, we characterized inhibition of TMPRSS2, furin, and cathepsins B/K/L by more than a dozen of previously developed MPro inhibitors including MPI1‐9, GC376, 11a, 10–1, 10–2, and 10–3. MPI1‐9, GC376 and 11a all contain an aldehyde for the formation of a reversible covalent hemiacetal adduct with the MPro active site cysteine and 10–1, 10–2 and 10–3 contain a labile ester to exchange with the MPro active site cysteine for the formation of a thioester. Our data revealed that all these inhibitors are inert toward TMPRSS2 and furin. Diaryl esters also showed low inhibition of cathepsins. However, all aldehyde inhibitors displayed high potency in inhibiting three cathepsins. Their determined IC50 values vary from 4.1 to 380 nM for cathepsin B, 0.079 to 2.3 nM for cathepsin L, and 0.35 to 180 nM for cathepsin K. All aldehyde inhibitors showed similar inhibition levels toward cathepsin L. A cellular analysis indicated high potency of MPI5 and MPI8 in inhibiting lysosomal activity, which is probably attributed to their inhibition of cathepsins. Among all aldehyde inhibitors, MPI8 shows the best selectivity toward cathepsin L. With respect to cathepsins B and K, the selective indices are 192 and 150, respectively. MPI8 is the most potent compound among all aldehyde inhibitors in cellular MPro inhibition potency and anti‐SARS‐CoV‐2 activity in Vero E6 cells. Cathepsin L has been demonstrated to play a critical role in the SARS‐CoV‐2 cell entry. By selectively inhibiting both SARS‐CoV‐2 MPro and the host cathepsin L, MPI8 potentiates dual inhibition effects to synergize its overall antiviral potency and efficacy. Due to its high selectivity toward cathepsin L that reduces potential toxicity toward host cells and high cellular and antiviral potency, we urge serious consideration of MPI8 for preclinical and clinical investigations for treating COVID‐19.
Association of Vitamin K and Non‐Vitamin K Oral Anticoagulant Use and Cancer Incidence in Atrial Fibrillation Patients
Authors: Iftimi Adina A. , Rodríguez‐Bernal Clara L. , Peiró Salvador , Bonanad Santiago , Ferrero‐Gregori Andreu , Hurtado Isabel , García‐Sempere Aníbal , Sanfélix‐Gimeno Gabriel 
Published: July 2021

The association between the use of vitamin K antagonists (VKAs) and cancer risk reduction remains unclear. We aimed to assess the association between the use of VKAs or direct oral anticoagulants (DOACs) and the incidence of cancer in a large cohort of patients with atrial fibrillation (AF) by means of a population‐based, propensity‐weighted cohort study using population‐wide databases including patients diagnosed with nonvalvular AF (NVAF) followed for up of 5 years (median 2.94 years). We created two cohorts based on the initiation therapy (VKA or DOAC). Initiation with VKA or DOAC was defined as filling a prescription with no previous exposure in the preceding 12 months. Cancer diagnoses of any type and for specific tumors (lung, colon, prostate, bladder, and breast). We included 39,989 patients, 31,200 (78.0%) in the VKA cohort. Incidence rate for any cancer was 12.45 per 1,000 person‐year in the DOAC cohort vs. 14.55 in the VKA cohort (adjusted hazard ratio (HR): 1.16, 95% confidence interval (CI): 1.02–1.32). In secondary outcomes, no differences were found for specific types of cancer, such as lung (HR: 1.28, CI: 0.89–1.83), colon (HR: 0.84, CI: 0.62–1.13), prostate (HR: 1.40, CI: 0.94–2.10), bladder (HR: 1.07, CI: 0.76–1.52), and breast (HR: 1.05, CI: 0.66–1.69). Sensitivity analyses yielded similar results. Subgroup analyses also produced consistent findings, except for men, for whom VKA was associated with a lower risk of colon cancer (HR: 0.68, 95% CI: 0.48–0.96). Our results do not confirm a chemoprotective effect of VKA when compared with DOAC in a large, real‐world cohort of patients with NVAF followed for up to 5 years.
Chromatin Immunoprecipitation and Sequencing (ChIP‐seq) Optimized for Application in Caenorhabditis elegans
Authors: Sen Ilke , Kavšek Alan , Riedel Christian G. 
Published: July 2021

AbstractChromatin immunoprecipitation followed by next‐generation sequencing (ChIP‐seq) has become one of the most popular methods to study protein‐DNA interactions and can be used, for instance, to identify the binding sites of transcription factors or to determine the distributions of histones with specific post‐translational modifications throughout the genome. Although standard ChIP‐seq protocols work well in most experimental systems, there are exceptions, and one of these is the popular model organism Caenorhabditis elegans. Even though this system is very amenable to genetic and cytological methods, biochemical approaches are challenging. This is due to both the animals’ cuticle, which impairs lysis as well as penetration by cross‐linkers, and the rather low protein and chromatin content per body weight. These issues have rendered standard ChIP‐seq protocols inefficient in C. elegans and raised a need for their improvement. Here, we describe improved protocols, with the most important advances being the efficient breakage of the C. elegans cuticle by freeze‐grinding and the use of a very sensitive sequencing library construction procedure, optimized for the relatively low DNA content per body weight of C. elegans. The protocols should therefore improve the reproducibility, sensitivity, and uniformity across tissues of ChIP‐seq in this organism. © 2021 The Authors. Current Protocols published by Wiley Periodicals LLC.Basic Protocol 1: Growth and harvesting of synchronized Caenorhabditis elegansBasic Protocol 2: Chromatin immunoprecipitation (ChIP)Basic Protocol 3: Library construction for Illumina sequencing
Computational Approach for Rapidly Predicting Temperature‐Dependent Polymer Solubilities Using Molecular‐Scale Models
Authors: Zhou Panzheng , Sánchez‐Rivera Kevin L. , Huber George W. , Van Lehn Reid C. 
Published: July 2021

AbstractOne promising approach to recycle multicomponent plastic waste (e. g., multilayer plastic films) is selective dissolution. Selective dissolution is a solvent‐mediated process in which differences in polymer solubility in a carefully chosen solvent system are exploited to recover a target polymer. Here, a computational approach was developed that rapidly predicts temperature‐dependent polymer solubilities to guide the design of solvent systems for solvent‐mediated polymer recycling. Polymer conformations were obtained from molecular dynamics simulations by modeling the polymer as a short oligomer and then used as input to the conductor‐like screening model for real solvents (COSMO‐RS) for solubility predictions. Using polyethylene (PE) and ethylene vinyl alcohol (EVOH) as representative polymers, the effect of simulation parameters was systematically studied, and predicted solubilities were found to be in good agreement with experimental measurements. The applicability of the approach was demonstrated by identifying selective solvents for PE and EVOH dissolution from a library of 524 solvents.
Ring signature and improved multi‐transaction mode consortium blockchain‐based private information retrieval for privacy‐preserving smart parking system
Authors: Singh Swathi , Satish Divya , Lakshmi Sree Rathna 
Published: July 2021

SummaryIn big cities, the drivers face a major problem in identifying an optimal vacant parking space for their vehicles as the number of vehicles has rapidly grown over the recent years. This objective of determining the available parking space results in wastage of time, air pollution, and traffic congestion. Smart parking systems facilitate the driver to book parking slots and attain real‐time parking information. However, the existing smart parking solutions necessitate the disclosure of sensitive information like desired destination from the vehicle drivers. Moreover, the current smart parking solutions are highly centralized, making them vulnerable for launching privacy breaches by service providers and resulting in the issues of single‐point failure. In this paper, ring signature and improved multi‐transaction mode consortium blockchain‐based private information retrieval (RS‐IMTMCB‐PIR) scheme is proposed for privacy preserving in smart parking system. This RS‐IMTMCB‐PIR scheme initially utilizes an improved multi‐transaction mode consortium blockchain constructed by different number of parking lot owners in order to achieve maximized parking offers based on the factor of availability, transparency, and security. It incorporates an improved private information retrieval approach for protecting the location privacy of drivers and secretly retrieving the offers of parking from the improved multi‐transaction mode consortium blockchain. It further utilizes the benefits of ring signature for permitting the drivers in a potential anonymous authentication process that aids in available parking slot reservation. The simulation results of this proposed RS‐IMTMCB‐PIR scheme portrayed a predominant performance in ensuring maximized degree of drivers' privacy with reduced computation and communication overheads.
Effects of deubiquitylases on the biological behaviors of neural stem cells
Authors: Zhao Qiqi , Li Yixin , Du Xixun , Chen Xi , Jiao Qian , Jiang Hong 
Published: July 2021

AbstractNew neurons are generated throughout life in distinct regions of the mammalian brain due to the proliferation and differentiation of neural stem cells (NSCs). Ubiquitin, a post‐translational modification of cellular proteins, is an important factor in regulating neurogenesis. Deubiquitination is a biochemical process that mediates the removal of ubiquitin moieties from ubiquitin‐conjugated substrates. Recent studies have provided growing evidence that deubiquitylases (DUBs) which reverse ubiquitylation process play critical roles in NSCs maintenance, differentiation and maturation. This review mainly focused on the relationship of DUBs and NSCs, and further summarized recent advances in our understanding of DUBs on regulating NSCs biological behaviors.
Young adult mental health sequelae of eating and body image disturbances in adolescence
Authors: Linardon Jake , Greenwood Christopher J. , Fuller‐Tyszkiewicz Matthew , Macdonald Jacqui A. , Spry Elizabeth , Hutchinson Delyse M. , Youssef George J. , Sanson Ann , Wertheim Eleanor H. , McIntosh Jennifer E. , Le Grange Daniel , Letcher Primrose , Olsson Craig A. 
Published: July 2021

AbstractObjectiveThere has been interest in the antecedents and mental health impacts of eating and body image disturbances in adolescence. Less is known about longer‐term mental health impacts into young adulthood, as longitudinal studies with data spanning this developmental period are rare. We capitalize on mental health data collected across adolescence and young adulthood from a population‐based cohort study that has been following >2000 Australian children and their families from infancy to young adulthood.MethodThis sample comprised 1,568 participants who completed the Eating Disorder Inventory drive for thinness and bulimic behavior (the severity of binge‐purge patterns) subscales, and a modified version of the body dissatisfaction subscale in mid‐adolescence (15–16 years), or the Depression Anxiety Stress Scales in young adulthood (19–20, 23–24, and 27–28 years).ResultsAfter adjusting for baseline demographic and prior mental health factors (<13 years of age), all three indices of eating and body image disturbances in adolescence predicted each mental health outcome in young adulthood. Mental health risks associated with adolescent body dissatisfaction and bulimic behavior scores remained stable across young adulthood, with men having more pronounced problems associated with bulimic behavior scores than women. In contrast, mental health risks associated with adolescent drive for thinness scores diminished across this period similarly for men and women.DiscussionFindings suggest that adolescent eating and body image disturbances may have long‐term mental health impacts that extend into young adulthood. This underscores the need for early preventative intervention, and longer‐term monitoring and support for body image and eating disturbances.
Iron(III) Complexation with Galactodendritic Porphyrin Species and Hydrocarbons’ Oxidative Transformations
Authors: Castro Kelly A. D. F. , Westrup Kátia C. M. , Silva Sandrina , Pereira Patrícia M. R. , Simões Mário M. Q. , Neves Maria da Graça P. M. S. , Cavaleiro José A. S. , Tomé João P. C. , Nakagaki Shirley 
Published: July 2021

AbstractThe iron metalation of the known free‐base porphyrins H2P2 and H2P3, obtained by structural modification of the well‐known TPPF20 (H2P1) with galactose dendritic units, gave the corresponding iron(III) porphyrin complex FeP2 and the solid hybrid material FeP3S. Their synthesis, characterization and catalytic efficacy toward the oxidation of the organic substrates (Z)‐cyclooctene, cyclohexane and heptane, are reported. In this work, the possibility to modulate selectivity and chemical efficiency of the catalytic system by using simple and more sophisticated metalloporphyrins is demonstrated. Furthermore, the presence of the galactose dendrimer units at the meso‐porphyrin ring positions can tune the oxidation at the terminal positions in linear alkanes. In addition, the FeP3S material was easily recovered and reused at least 3 times for the cyclooctene oxidation. The catalytic performance of material FeP3S, associated with their possibility of reuse, makes this material a promising catalyst.
Improvement in pain interference and function by an allied health pain management program: Results of a randomized trial
Authors: Vandermost Margaret , Bagraith Karl S. , Kennedy Hannah , Doherty Darren , Kilner Simon , Sterling Michele , Henry David , Jones Mark 
Published: July 2021

AbstractBackgroundChronic pain is a significant health problem worldwide and requires a biopsychosocial treatment approach. Access to traditional pain medicine specialist services is limited and innovative treatment models are required to support patients in tertiary care. The study evaluated the clinical effectiveness and safety of the Treatment Access Pathway (TAP), an allied health expanded scope model of care which included innovative group assessment and collaboration with patients to create individualized treatment plans.MethodsOne hundred and eighty‐one patients referred to a tertiary level chronic pain service were randomly allocated to either the TAP or the waitlist study groups. Primary (pain interference) and secondary outcome measures were collected at recruitment and again at 6 months. Per‐protocol analyses were utilized due to high participant attrition (46% across groups).ResultsThe TAP group reported greater reductions in pain interference at 6 months than waitlist group (0.9, 95% CI: 0.2–1.6), with more than half of the TAP group (52%) reporting clinically significant improvement. In addition, statistically significant differences between the TAP and waitlist groups were observed for objective measurements of walking endurance (5.4 m, 95% CI: 1.7–9.1); and global impressions of change (1.4 unit decrease, 95% CI: 1–1.9). Nil adverse events were recorded.ConclusionsThe study suggests that an expanded scope allied health model of care prioritizing patient choice and group‐based interventions provides modest benefits for tertiary‐referral chronic pain patients. TAP warrants further investigation as a potentially viable alternative for tertiary healthcare where traditional pain services are unavailable or have long waiting lists.SignificanceThe study tests effectiveness and safety of an expanded scope allied health‐led chronic pain program. Despite a high attrition rate, the study showed reduced pain interference and increased physical function in those who completed the protocol. The results are promising and support introduction of this model as an adjunct to existing traditional chronic pain models of care, with a particular focus on improving participant retention in the program. Additionally, the model of care can be used as a standalone chronic pain model of care where no other pain management resources are available.The study was registered on ANZCTR (Trial ID: ACTRN12617001284358).
Conceptual design and optimization of cogeneration system based on small modular lead‐cooled fast reactor
Authors: Xu Chi , Khan Muhammad Salman , Kong Fanli , Yu Dali , Yu Jie , Li Taosheng 
Published: July 2021

AbstractCogeneration system based on Small Modular Lead‐cooled Fast Reactor (SMLFR) becomes attractive due to its good characteristics of flexible location, safety, thermal efficiency, and economy. The conventional cogeneration systems using coal, gas, or renewable energy as the thermal resource have lower thermal performance as compared to LFR based cogeneration systems due to lack of sustainable energy resources. A modified concept design of cogeneration system based on a 35‐MWth SMLFR has been proposed to improve the thermal performance. A new concept of District Heating (DH) structure layout along with optimization based on the exhaust steam/water drainage position. The thermodynamic model based on energy and exergy methods has been used to design and calculate the energy losses of the cogeneration system components. The energy utilization rate can be increased significantly by optimizing the DH. The thermal efficiency of the proposed system reaches up to 73.64% with an increase of 3.51% and the exergy efficiency reaches up to 59.31% with an increase of 5.01%. The increase of thermal performance under the different heating demands will lead to better energy conservation and environmental safety. This study can be further used as the reference for the design and optimization of SMLFR cogeneration system based on thermodynamic and exergy analysis.
RETRACTED: Exploring the prophylactic role of soy isoflavones against polycystic ovarian syndrome
Authors: Manzar Nishaf , khan Safwan Ahmad , Fatima Najum , Nisa Mehr un , Ahmad Muhammad Haseeb , Afzal Muhammad Inam , Saeed Hafiz Fahad Ullah , Imran Muhammad , Anjum Faqir Muhammad , Arshad Muhammad Sajid 
Published: July 2021

AbstractSoy isoflavones (SI) have strong estrogenic effect in tissues by binding to estrogen receptors and might be beneficial for women with polycystic ovarian syndrome (PCOS) by reduction in testosterone, cholesterol, insulin, weight gain, inflammatory markers, and oxidative stress. The study was planned to examine the effect of various levels of SI on nutrient intake, digestibility, lipid profile, insulin, and reproductive hormones of estradiol valerate (4 mg/rat/IM) PCOS induced rat models. Thirty‐six Wistar 45 days old rats weighing 95 ± 5 g were divided into 4 groups, each having 9 rats: C (control: without SF), SF10 (SF 0.10 g/kg BW), SF15 (SF 0.15 g/kg BW), and SF20 (SF 0.20 g/kg BW). SF was given through the oral gavage. Food and water were offered ad libitum, and intake was recorded daily. During last week of trial, collected feces by total collection method and blood samples were used to calculate nutrient digestibility and biochemical analysis, respectively. Estrogen, progesterone, and prolactin were (p < .05) high in rats fed SF diet that was 4% and 30% increase from C, respectively. Insulin, testosterone, FSH, and LH were lowest in rats fed diet SF20. Significant (p < .05) reduction in cholesterol was observed in rats fed SF15 and SF20 as compared to C. Serum HDL was improved (p < .05) in all SIF0.10, SIF0.15, and SIF0.20 in comparison with PC. Serum LDL was significantly reduced to 68.89 ± 4.36 (mg/dl) in SIF0.20 and to 108.20 ± 4.14 (mg/dl) in SIF0.15, whereas insignificant reduction was observed in SIF0.10 as compared to PC. Highly significant reduction was noted in triglycerides level in SIF0.20; however, significant reduction was observed in both SIF0.10 and SIF0.15 as compared to PC after 3 months of treatment with soy isoflavones.