bluuebunny/crossref_metadata_2025 huggingface dataset:
Modification of poly(lactic) acid by reactive extrusion and its melt blending with acrylonitrile–butadiene–styrene
Authors: Abt Tobias , Kamrani Mohammad Reza , Cailloux Jonathan , Santana Orlando , Sánchez‐Soto Miguel
Published: April 2020

Poly(lactic) acid (PLA) is a biodegradable polymer that has attracted interest as a potential substitute for some thermoplastic polymers. However, its advanced brittleness at room temperature represents one of the major drawbacks for its general use. In this work, PLA was modified by reactive extrusion (PLAREx) to enhance the rheological behaviour and to limit its degradation. The modified material was melt blended with acrylonitrile–butadiene–styrene (ABS), and the resultant morphology, rheological, thermo‐mechanical and fracture behaviour were analysed. Since PLA does not have reasonable compatibility with ABS, maleic‐anhydride‐grafted ABS (ABS‐g‐Ma) was used as compatibilizer. The morphology of the PLAREx/ABS samples resulted in the formation of small ABS rods in the matrix. The presence of maleic anhydride contributed to reducing the interfacial energy of the blends and to obtaining finer micro‐domains of the ABS‐rich phase in the PLAREx matrix. In the compatibilized blends, the presence of elongated ABS‐rich phases opposed free crack propagation and contributed to the increase in fracture energy in comparison to neat PLA. © 2020 Society of Chemical Industry
Ternary copolymerization strategy reducing the cost of benzodithiophene–benzodithiophenedione polymer, retaining high photovoltaic performance
Authors: Jing Xin , Zhong Yaqian , Wang Quanliang , Li Feng , Wang Xiangkun , Zhang Kaili , Sun Mingliang
Published: April 2020

The photovoltaic performance of organic solar cells has been rapidly improved. However, in actual production and application, there are still many challenges for organic photovoltaic devices, and one of the important strategies for facilitating industrialization is reducing the cost of materials. The benzodithiophene (BDT)–benzodithiophenedione (BDD) binary copolymer donor material has good photovoltaic performance. However, the high cost of BDD monomer limits its industrialization. In contrast, lower‐cost benzotriazole (BTA) monomers have an enormous potential to solve this problem. Therefore, this paper reports the synthesis of ternary copolymers by adding BTA units into BDT–BDD copolymer with two different acceptor units. It is found that such a strategy can effectively reduce the cost of BDT–BDD polymer, and increasing the content of BTA units in the polymer to reduce the content of expensive BDD units can still retain the excellent photovoltaic properties of the BDT–BDD polymer. When only 20 mol% of BDD units remained, the bulk heterojunction structure with the synthesized donor polymer and acceptor ITIC can achieve an open circuit voltage of 0.913 V with a short circuit current of 16.87 mA cm−2 and 9.12% maximum photoelectric conversion efficiency, and the material is much cheaper than BDT–BDD polymer, in terms of structural units. Therefore, the results show that the addition of BTA can effectively reduce the material cost (versus BDD only) while retaining the good photovoltaic properties of the material, and has a certain guiding effect on the commercialization of organic solar cells. © 2020 Society of Chemical Industry
Synthesis and physicochemical properties of poly[2‐(2‐chloro‐1‐methylbut‐2‐en‐1‐yl)aniline] obtained with various dopants
Authors: Latypova Lyaysan R , Andriianova Anastasiia N , Salikhov Shamil M , Mullagaliev Ilnur N , Salikhov Renat B , Abdrakhmanov Ildus B , Mustafin Akhat G
Published: April 2020

Highly soluble polyaniline was synthesized from a newly designed aniline derivative, namely 2‐[2‐chloro‐1‐methylbut‐2‐en‐1‐yl]aniline. The corresponding polyanilines, PClPA‐HA, PClPA‐SA, PClPA‐NA and PClPA‐PA, were characterized by means of 1H NMR, 13C NMR, high resolution mass spectroscopy, Fourier transform infrared spectroscopy, ultraviolet–visible spectroscopy and SEM images. The elemental analysis and electrical conductivity of the polymers are also presented. It is shown that the molecular weight of the polymers obtained depends on the method of synthesis. Spectroscopic studies confirmed the emeraldine form of the polyaniline derivatives. In the work, the dependence of the current passing through resistive structures based on thin poly[2‐(2‐chloro‐1‐methylbut‐2‐en‐1‐yl)aniline] films on the relative humidity of air was studied. The results of the studies showed the prospects of using thin polymer films in the design of chemical sensors. © 2020 Society of Chemical Industry
Conjugated polymers for information storage and neuromorphic computing
Authors: Liu Shuzhi , Chen Xinhui , Liu Gang
Published: April 2020

In the era of information explosion, silicon‐based storage can barely meet the burgeoning demand for data storage and making Moore's law no longer accurate. What is more, the traditional von Neumann architecture separates the computing module from the storage unit, which causes a slowing down of the overall computing efficiency. Conjugated polymer memristors, due to the advantages of simple fabrication, convenient operation and low cost, are considered as promising candidates for next‐generation memory and neuromorphic computing applications. This review summarizes the advances in conjugated polymer memristive materials and devices made during the first two decades of the 21st century, and their potential applications in information storage and neuromorphic computing. Focuses are on switching mechanisms and materials classifications, as well as memory, artificial synapse and bioinspired and in‐memory computing performance. © 2020 Society of Chemical Industry
Introducing plant biology graduate students to a culture of mental well‐being
Authors: Dewa Carolyn S. , Nieuwenhuijsen Karen , Holmes‐Sullivan Kathy J. , Singh Alexis K. , Drakakaki Georgia
Published: April 2020

Currently, an estimated 20%–40% of graduate students have depression and anxiety. In addition, more than half report experiencing high chronic stress. Thus, organizations such as the Plant Science Research Network have highlighted the need to prioritize trainee well‐being. This has led to a search for strategies to introduce this cultural change into scientific training. However, for faculty who do not have experience with this topic area, there are few readily available resources from which to draw. In this paper, we describe how two graduate groups, one focused on plant biology and the other on genomics and genetics approached this challenge together by introducing a course on mental and emotional well‐being to their incoming first‐year graduate students. We describe the research on workplace mental and emotional well‐being and disability prevention which served as the basis for the course content. We review the course curriculum, student reflections about what they learned, and implications for future classes.
Development of a Point System to Predict Discharge to Home for Acute Stroke Patients
Authors: Kubo Kosei , Kamo Tomohiko , Momosaki Ryo , Mitsutomi Kazuhiko
Published: April 2020

Background

While in an acute hospital setting, it is challenging for clinicians to make discharge decisions due to the multifactorial process and individual patient characteristics.

Objective

To evaluate and develop a scoring system utilizing the Japan Rehabilitation Database (JRD) to identify acute stroke patients with a high possibility of discharge to home.

Design

Retrospective observational cohort study.

Setting

Thirty‐seven acute hospitals in Japan.

Participants

A total of 10 270 patients admitted to the acute hospitals with stroke were identified. The inclusion criteria were (1) admission within 3 days of onset and (2) admission from home. Exclusion criteria were (1) incomplete data and (2) death in hospital. A total of 4216 patients were included in the study.

Intervention

Not applicable.

Main Outcome Measurements

Discharge destination from acute care hospital, that is, home versus other locations.

Results

In the multivariate logistic regression, age, stroke type, Barthel Index on admission, modified Rankin scale on admission, the National Institutes of Health Stroke Scale on admission, and extent of paralysis were retained. When the cutoff point was 33, the scoring system showed a sensitivity of 80.4% and specificity of 80.3%. The area under curve (AUC) was 0.88. On evaluating the predictive performance, the model showed a sensitivity of 78.2% and a specificity of 78.5% with an AUC = 0.86.

Conclusions

We developed a point system to identify acute stroke patients with a high possibility of discharge to home using the JRD. This point system may provide useful information for clinicians to plan the discharge of acute stroke patients.
The Comparative Effectiveness of Autologous Blood‐derived Products Versus Steroid Injections in Plantar Fasciitis: A Systematic Review and Meta‐analysis of Randomized Controlled Trials
Authors: Tseng Wen‐Che , Uy Jhanna , Chiu Yi‐Hsiang , Chen Wen‐Shiang , Vora Ariana
Published: April 2020

Objective

Plantar fasciitis is one of the most common musculoskeletal diseases, and nearly 90% of patients can be successfully treated by nonsurgical options. However, it is yet to be determined which nonsurgical treatment has the best efficacy. The present study investigated differences between autologous blood‐derived products and corticosteroid injections in the treatment of plantar fasciitis.

Type

Systematic Review and Meta‐analysis.

Literature Survey

PubMed, EMBASE, CINAHL, and Web of Science were searched for relevant articles up to November 2019. There was no language restriction, and unpublished trials were excluded. This systematic review included only randomized controlled trials.

Methodology

The primary outcomes were Visual Analog Scale and American Orthopedic Foot and Ankle Score (AOFAS). The follow‐up times were divided into short term (3‐6 weeks), intermediate term (3 months or 12 weeks), and long term (6 months or 24 weeks). The random‐effects model was utilized, and weighted mean difference was calculated as the pool estimates.

Synthesis

Thirteen randomized controlled trials and 640 patients were included. No significant difference in Visual Analog Scale reduction was observed between autologous blood‐derived product and corticosteroid injections in the short term (weighted mean difference [WMD] = −0.84; 95% confidence interval [CI], −1.71 to 0.03; P = .057), intermediate term (WMD = −0.24; 95% CI, −0.90 to 0.42; P = .475), and long term (WMD = 0.47; 95% CI, −0.72 to 1.65; P = .44). No significant difference in AOFAS was observed between autologous blood‐derived products and corticosteroids in the short term (WMD = −0.65; 95% CI, −5.40 to 4.10; P = .79), intermediate term (WMD = 0.17; 95% CI, −8.07 to 8.41; P = .97), and long term (WMD = 1.16; 95% CI, −4.54 to 6.86; P = .69).

Conclusions

This systematic review and meta‐analysis of autologous blood‐derived products versus corticosteroids for plantar fasciitis is the first that includes only randomized controlled trials. The meta‐analysis found no significant difference between autologous blood‐derived products and corticosteroids, as measured by Visual Analog Scale or AOFAS. These findings applied whether followed up in short, intermediate, or long term. These results differ from previous studies that showed superior efficacy of autologous blood‐derived products compared with corticosteroids in the long term.
Biobehavioral Intervention Targeting Physical Activity Behavior Change for Older Veterans after Nontraumatic Amputation: A Randomized Controlled Trial
Authors: Christiansen Cory L. , Miller Matthew J. , Kline Paul W. , Fields Thomas T. , Sullivan William J. , Blatchford Patrick J. , Stevens‐Lapsley Jennifer E.
Published: April 2020

Background

Lower‐limb amputation (LLA) due to non‐traumatic vascular etiology is linked to extremely low physical activity and high disability.

Objective

To test the feasibility of a biobehavioral intervention designed to promote physical activity.

Design

A randomized, single‐blind feasibility trial with a crossover design.

Setting

Veterans Administration Medical Center.

Participants

Military veterans (age: 65.7 [7.8] years; mean [standard deviation]) with nontraumatic lower‐limb amputation (LLA), randomized to two groups: GROUP1 (n = 16) and GROUP2 (n = 15). Both groups had similar baseline amputation characteristics (level of amputation and time since amputation).

Interventions

Twelve weekly, 30‐minute telehealth sessions of physical activity behavior‐change intervention, with GROUP1 participating in weeks 1‐12 and GROUP2 in weeks 13‐24. GROUP1 noncontact phase in weeks 13‐24 and GROUP2 attention control telehealth phase in weeks 1‐12.

Main Outcome Measures

Feasibility (participant retention, dose goal attainment, intervention acceptability [Intrinsic Motivation Inventory [IMI] Interest and Enjoyment scale], safety) and signal of efficacy (free‐living physical activity [accelerometer‐based average daily step count], Late Life Function and Disability Index ‐ Disability Scale [LLFDI‐DS]).

Results

Participant retention rate was high (90%), with three participants lost to follow‐up during the intervention period. Dose goal attainment was low, with only 10% of participants achieving an a priori walking dose goal. Intervention was rated as acceptable, with mean IMI Interest and Enjoyment score (5.8) statistically higher than the null value of 5.0 (P = .002). There were no between‐group differences in adverse event rates (falls: P = .19, lower extremity wounds: P = .60). There was no signal of efficacy for change in average daily step count (d = −0.15) or LLFDI‐DS (d = −0.22 and 0.17 for frequency and limitations scales, respectively).

Conclusions

Telehealth delivered biobehavioral intervention resulted in acceptable participant retention, low dose goal attainment, high participant acceptability, and low safety risk, while having no signal of efficacy (physical activity, disability) for people with nontraumatic LLA.
A novel negative thermotaxis behavior in rice planthoppers is regulated by TRPA1 channel
Authors: He Hualiang , Zhao Rui , Hu Kui , Qiu Lin , Ding Wenbing , Li Youzhi
Published: April 2020

BACKGROUND

In the field, we observed that many white‐backed planthoppers (Sogatella furcifera, WBPHs) stayed in the top region of rice plants exposed to direct sunshine. It was known that WBPHs frequently took flight when the ground temperature was about 25 °C, then climbed to and flew in a dense layer corresponding to an air temperature of about 16 °C in the sky. Its migration height was higher than the top of the surface temperature inversion. It is still unclear whether WBPHs prefer warm or cold regions, and therefore we studied the thermal responses of WBPHs and other insects using a simulated system.

RESULTS

We found that WBPHs preferred a cold region to a warm one, unexpectedly below their comfort temperature zone. After comparative analysis with other insect species, such as small brown planthoppers, brown planthoppers, Trialeurodes vaporariorum (stinkbugs, a predator of planthoppers) and Bemisia tabaci (whitefly), only three planthoppers showed cold preference behavior. RNA interference experiments revealed that this behavior of WBPHs can be regulated by the transient receptor potential (TRP) channels TRPA1 channel. Furthermore, podocarpic acid, an agonist of TRPA1, weakened the cold preference, whereas A‐967079, an antagonist of TRPA1, had the opposite effect.

CONCLUSION

We reported a novel cold preference (negative thermotaxis) in rice planthoppers that was regulated in WBPHs by the TRPA1 channel. Cold preference of rice planthoppers is probably related to its choice behavior of the special migratory temperature layer. Our results expanded a new perspective to develop novel strategies for behavioral manipulation and management of rice planthoppers. © 2020 Society of Chemical Industry
Expression and comparison of sweet corn CYP81A9s in relation to nicosulfuron sensitivity
Authors: Choe Eunsoo , Williams Martin M
Published: April 2020

BACKGROUND

Nicosulfuron, a sulfonylurea herbicide widely used for grass weed control in corn production, injures some sweet corn hybrids and inbreds. A specific cytochrome P450 (P450), CYP81A9, is suggested to be responsible for sensitivity to nicosulfuron and other P450‐metabolized herbicides. Corn CYP81A9 enzymes were expressed in E. coli and investigated to find the factor(s) associated with their function and variation in metabolizing nicosulfuron.

RESULT

Recombinant expressed CYP81A9s from tolerant sweet corn inbreds produced an active form of P450, while CYP81A9 from a sensitive inbred produced an inactive form. Nicosulfuron bound to tolerant CYP81A9s, and produced reverse‐type I ligand, while sensitive CYP81A9 showed no interaction with nicosulfuron. Investigation of 106 sweet corn inbreds showed variation in nicosulfuron injury. A survey of sweet corn CYP81A9 sequences showed mutations in codons for amino acids at 269, 284, 375, and 477 occurred in sweet corn inbreds with complete loss of P450 function (with mean injury >91%) and amino acid changes at 208 and 472 occurred in inbreds with moderate and complete loss of P450 function (with mean injury >14%).

CONCLUSION

Our results support that CYP81A9 enzyme is responsible for metabolizing nicosulfuron in sweet corn, and different types of amino acid changes in CYP81A9 sequence are associated with variation in nicosulfuron injury. Therefore, a careful selection of the tolerant allele will be critical for improving tolerance to nicosulfuron and several other P450‐metabolized herbicides. © 2020 Society of Chemical Industry
Biocidal radiuses of cycloxaprid, imidacloprid and lambda‐cyhalothrin droplets controlling against cotton aphid (Aphis gossypii) using an unmanned aerial vehicle
Authors: Nahiyoon Shahzad Ali , Cui Li , Yang Daibin , Yan Xiaojing , Rui Changhui , Yuan Huizhu
Published: April 2020

BACKGROUND

Unmanned aerial vehicles (UAVs) are a recently advanced aerial spraying technology. However, the median lethal number of droplets (LN50) and biocidal radiuses (r50) of insecticides droplets sprayed by UAVs are still unknown. Therefore, we evaluated the LN50 and r50 of cycloxaprid, imidacloprid and lambda‐cyhalothrin droplets associated with adjuvant controlling against Aphis gossypii.

RESULTS

A small UAV and Potter spray tower (PST) were used to generate different size of droplets (Dv0.5 = 185 ± 5 and 43 ± 2 μm). The mortality of A. gossypii showed a droplet density‐dependent process. At the concentration of 5 g L−1, the LN50 of lambda‐cyhalothrin, imidacloprid and cycloxaprid droplets sprayed by the UAV were only 49.2, 34.6 and 19.7 droplets cm−2, respectively, and the r50 were 0.57, 0.68 and 0.90 mm, respectively. The LN50 values were negatively correlated with insecticide concentrations, but the r50 values increased with the increasing concentrations. Although cycloxaprid is less toxic to A. gossypii than lambda‐cyhalothrin, cycloxaprid had a larger r50 than lambda‐cyhalothrin due to its translocation ability. Furthermore, cycloxaprid had a relatively larger r50 than imidacloprid because it is more toxic to A. gossypii. Moreover, adjuvant silwet DRS‐60 can significantly increase the r50 of droplets.

CONCLUSION

Our results revealed that the r50 of a droplet was higher than its droplet size at tested concentrations. Smaller droplets generated by the PST had relatively higher insecticidal potential. The median lethal dose (LD50) and translocation ability of insecticides and spray adjuvant contributed to their r50. Therefore, ultra‐low‐volume spray with UAVs is feasible to control cotton aphids. © 2020 Society of Chemical Industry
Perspective: root exudation of herbicides as a novel mode of herbicide resistance in weeds
Authors: Ghanizadeh Hossein , Harrington Kerry C
Published: April 2020

The evolution of resistance to herbicides in weeds has become a great challenge for global agricultural production. Weeds have evolved resistance to herbicides through many different physiological mechanisms. Some weed species are known to secrete herbicide molecules from roots into the rhizosphere upon being treated. However, root exudation of herbicides as a mechanism of resistance has only recently been identified in two weed species. Root exudation pathways have been investigated in Arabidopsis, and this work suggested that ATP‐binding cassette (ABC) and multidrug and toxic compound extrusion (MATE) transporters play a role in the secretion of primary and secondary plant products from roots. We hypothesize that the mechanisms involved in root exudation of herbicides that result in resistance are mediated by overactive or overexpressed transporters, probably similar to those found for the exudation of primary and secondary compounds from roots. Elucidating the molecular and physiological basis of root exudation in herbicide‐resistant weeds would improve our understanding of the pathways involved in herbicide root secretion mediated by transporters in plants. © 2020 Society of Chemical Industry
Identifying drivers of spatio‐temporal dynamics in barley yellow dwarf virus epidemiology as a critical factor in disease control
Authors: Van den Eynde Renik , Van Leeuwen Thomas , Haesaert Geert
Published: April 2020

Barley yellow dwarf virus (BYDV) is one of the most important viral diseases of small grains worldwide. An understanding of its epidemiology is crucial to control this disease in a sustainable way. The virus moves through the agricultural landscape via cereal aphids as vectors. Understanding movement of these aphids in space and time is of key importance and in doing so, the spatial and temporal variables that influence BYDV epidemiology can be identified. The presence of summer hosts, crop rotation, crop diversity, agricultural practices and climate variables are crucial. Through digitalization, spatial (e.g. land‐use) and temporal (e.g. weather) information is becoming more readily available. Including this information into a prediction model could improve decision support systems that will rationalize the decision‐making process towards a more integrated control of the disease. © 2020 The Authors. Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Virtual screening, synthesis, and bioactivity evaluation for the discovery of β‐N‐acetyl‐D‐hexosaminidase inhibitors
Authors: Dong Yawen , Hu Song , Zhao Xiao , He Qi , Yang Qing , Zhang Li
Published: April 2020

BACKGROUND

Molting is an essential insect developmental process, in which a variety of enzymes are involved. The inhibition of these enzymes effect normal insect growth and development and may even cause death. OfHex1, one of the β‐N‐acetyl‐D‐hexosaminidases, is a key enzyme involved in the molting process of the Asian corn borer (Ostrinia furnacalis), and is deemed a potential insecticidal target.

RESULTS

Based on the crystal structure of OfHex1, virtual screening was carried out to obtain a novel class of OfHex1 inhibitors, of which, 28 compounds were subjected to bioactivity evaluation. The compound 3, N‐(3‐cyano‐4,5,6,7‐tetrahydrobenzo[b]thiophen‐2‐yl)benzamide, showed good inhibition against OfHex1 with a Ki value of 11.2 μM. Structure optimization and molecular docking were applied for the structure–activity relationship analysis. The results also showed that the cyano group of this compound was essential for the maintenance of its inhibitory activity against OfHex1. Additionally, the interaction between this compound and Trp490, Glu328, Tyr475 and Trp524 were important for inhibitory activity.

CONCLUSION

The advantages of the derivatives of 2‐amino‐4,5,6,7‐tetrahydrobenzo[b]thiophene‐3‐carbonitrile, which have simple chemical structures and are easily synthesized, suggests them to be developed further as potential OfHex1 inhibitors for pest control. © 2020 Society of Chemical Industry
Bayesian adaptive linearization method for phase I drug combination trials with dimension reduction
Authors: Pan Haitao , Cheng Cheng , Yuan Ying
Published: April 2020

Many phase I drug combination designs have been proposed to find the maximum tolerated combination (MTC). Due to the two‐dimension nature of drug combination trials, these designs typically require complicated statistical modeling and estimation, which limit their use in practice. In this article, we propose an easy‐to‐implement Bayesian phase I combination design, called Bayesian adaptive linearization method (BALM), to simplify the dose finding for drug combination trials. BALM takes the dimension reduction approach. It selects a subset of combinations, through a procedure called linearization, to convert the two‐dimensional dose matrix into a string of combinations that are fully ordered in toxicity. As a result, existing single‐agent dose‐finding methods can be directly used to find the MTC. In case that the selected linear path does not contain the MTC, a dose‐insertion procedure is performed to add new doses whose expected toxicity rate is equal to the target toxicity rate. Our simulation studies show that the proposed BALM design performs better than competing, more complicated combination designs.
Improving interim decisions in randomized trials by exploiting information on short‐term endpoints and prognostic baseline covariates
Authors: Van Lancker Kelly , Vandebosch An , Vansteelandt Stijn
Published: April 2020

Conditional power calculations are frequently used to guide the decision whether or not to stop a trial for futility or to modify planned sample size. These ignore the information in short‐term endpoints and baseline covariates, and thereby do not make fully efficient use of the information in the data. We therefore propose an interim decision procedure based on the conditional power approach which exploits the information contained in baseline covariates and short‐term endpoints. We will realize this by considering the estimation of the treatment effect at the interim analysis as a missing data problem. This problem is addressed by employing specific prediction models for the long‐term endpoint which enable the incorporation of baseline covariates and multiple short‐term endpoints. We show that the proposed procedure leads to an efficiency gain and a reduced sample size, without compromising the Type I error rate of the procedure, even when the adopted prediction models are misspecified. In particular, implementing our proposal in the conditional power approach enables earlier decisions relative to standard approaches, whilst controlling the probability of an incorrect decision. This time gain results in a lower expected number of recruited patients in case of stopping for futility, such that fewer patients receive the futile regimen. We explain how these methods can be used in adaptive designs with unblinded sample size re‐assessment based on the inverse normal P‐value combination method to control Type I error. We support the proposal by Monte Carlo simulations based on data from a real clinical trial.
Natural products and their derivatives against coronavirus: A review of the non‐clinical and pre‐clinical data
Authors: Islam Muhammad T. , Sarkar Chandan , El‐Kersh Dina M. , Jamaddar Sarmin , Uddin Shaikh J. , Shilpi Jamil A. , Mubarak Mohammad S.
Published: April 2020

Several corona viral infections have created serious threats in the last couple of decades claiming the death of thousands of human beings. Recently, corona viral epidemic raised the issue of developing effective antiviral agents at the earliest to prevent further losses. Natural products have always played a crucial role in drug development process against various diseases, which resulted in screening of such agents to combat emergent mutants of corona virus. This review focuses on those natural compounds that showed promising results against corona viruses. Although inhibition of viral replication is often considered as a general mechanism for antiviral activity of most of the natural products, studies have shown that some natural products can interact with key viral proteins that are associated with virulence. In this context, some of the natural products have antiviral activity in the nanomolar concentration (e.g., lycorine, homoharringtonine, silvestrol, ouabain, tylophorine, and 7‐methoxycryptopleurine) and could be leads for further drug development on their own or as a template for drug design. In addition, a good number of natural products with anti‐corona virus activity are the major constituents of some common dietary supplements, which can be exploited to improve the immunity of the general population in certain epidemics.
Towards an unbiased stratospheric analysis
Authors: Laloyaux P. , Bonavita M. , Dahoui M. , Farnan J. , Healy S. , Hólm E. , Lang S. T. K.
Published: April 2020

The standard, strong‐constraint formulation of 4D‐Var is designed to correct for random, zero‐mean errors from the model forecast and the observations. However, significant systematic errors are generated by the forecast models used in global numerical weather prediction (NWP), and the Integrated Forecast System (IFS) model of the European Centre for Medium‐Range Weather Forecasts (ECMWF) is no exception. To deal with this type of error, a modification of the standard 4D‐Var algorithm, weak‐constraint 4D‐Var, has long been proposed and was implemented in operations at ECMWF in 2009. In the original implementation, the model error corrections were only active in the upper stratosphere, as a full application of the algorithm would lead to unacceptable degradation of forecast scores. Thus the impact of weak‐constraint 4D‐Var on ECMWF analyses and forecasts has always been small heretofore.

In a companion article, it was shown through theoretical considerations and experiments with a simplified model that weak‐constraint 4D‐Var can correct accurately for model errors and initial‐state errors only when background and model errors have different spatial scales and when the observing system has a component, sufficient in number, that is unbiased and spatially homogeneous. This article presents new diagnostics based on radio occultation (RO) temperature retrievals and shows how those assumptions are verified in the IFS model. A new model‐error covariance matrix is derived and reduces the analysis and first‐guess temperature bias in the stratosphere by up to 50%. We also present how the model error tendencies diagnosed by weak‐constraint 4D‐Var can be used to reduce mean errors in medium‐range forecasts and discuss how they can also be applied in a reanalysis context to improve the fidelity and continuity of climate reconstructions.
The role of cross‐domain error correlations in strongly coupled 4D‐Var atmosphere–ocean data assimilation
Authors: Smith Polly J. , Lawless Amos S. , Nichols Nancy K.
Published: April 2020

Strongly coupled atmosphere–ocean data assimilation offers the ability to improve information exchange across the modelled air‐sea interface by enabling observations in one domain to have a direct influence on the analysis in the other. For incremental 4D‐Var assimilation a strongly coupled approach enables both domains to be updated at the beginning of the assimilation window, whether they are observed or not, and is hence more likely to produce consistent initial model states. This is made possible by the explicit inclusion of cross‐domain forecast error covariance information in the coupled forecast error covariance matrix. In this study we use an idealised 1D single‐column coupled atmosphere–ocean model to examine the extent to which explicit cross‐domain forecast error covariances play a role in shaping the coupled analysis increments compared to those implicitly generated in the inner‐loop of the incremental formulation of the 4D‐Var algorithm. This is done via a set of single‐observation experiments with and without initial cross‐domain forecast error covariances prescribed. Using single observations allows us to obtain explicit expressions for the atmosphere and ocean analysis updates, separating out the individual effects of the explicitly prescribed and implicitly generated cross‐domain covariances. Our experiments show that when only one domain is observed, including explicit cross‐domain error covariances allows more consistent adjustment of the unobserved domain. Neglecting the cross‐domain terms and relying solely on the covariances implicitly generated by the coupled tangent linear and adjoint models restricts the ability of the covariance matrix to impose balance between the two domains. In this case the coupling is essentially one‐way; the update to the observed domain is independent of the unobserved domain and so is likely to produce atmosphere and ocean updates that are inconsistent with one another. As we show, this has important consequences for the balance of the coupled analysis state.
Immune responses and pathogenesis of SARS‐CoV‐2 during an outbreak in Iran: Comparison with SARS and MERS
Authors: Rokni Mohsen , Ghasemi Vida , Tavakoli Zahra
Published: April 2020

The beginning of 2020 has seen the emergence of COVID‐19, an outbreak caused by a novel coronavirus, SARS‐CoV‐2, an important pathogen for humans. There is an urgent need to better understand this new virus and to develop ways to control its spread. In Iran, the first case of the COVID‐19 was reported after spread from China and other countries. Fever, cough, and fatigue were the most common symptoms of this virus. In worldwide, the incubation period of COVID‐19 was 3 to 7 days and approximately 80% of infections are mild or asymptomatic, 15% are severe, requiring oxygen, and 5% are critical infections, requiring ventilation. To mount an antiviral response, the innate immune system recognizes molecular structures that are produced by the invasion of the virus. COVID‐19 infection induces IgG antibodies against N protein that can be detected by serum as early as day 4 after the onset of disease and with most patients seroconverting by day 14. Laboratory evidence of clinical patients showed that a specific T‐cell response against SARS‐CoV‐2 is important for the recognition and killing of infected cells, particularly in the lungs of infected individuals. At present, there is no specific antiviral therapy for COVID‐19 and the main treatments are supportive. In this review, we investigated the innate and acquired immune responses in patients who recovered from COVID‐19, which could inform the design of prophylactic vaccines and immunotherapy for the future.
An Internet of Things‐enabled decision support system for circular economy business model
Authors: Mboli Julius Sechang , Thakker Dhavalkumar , Mishra Jyoti L.
Published: April 2020

The traditional linear economy using a take‐make‐dispose model is resource intensive and has adverse environmental impacts. Circular economy (CE) which is regenerative and restorative by design is recommended as the business model for resource efficiency. While there is a need for businesses and organisations to switch from linear to CE, there are several challenges that needs addressing such as business models and the criticism of CE projects often being small scale. Technology can be an enabler toward scaling up CE; however, the prime challenge is to identify technologies that can allow predicting, tracking and proactively monitoring product's residual value to motivate businesses to pursue circularity decisions. In this paper, we propose an IoT‐enabled decision support system (DSS) for CE business model that effectively allows tracking, monitoring, and analysing products in real time with the focus on residual value. The business model is implemented using an ontological model. This model is complemented by a semantic decision support system. The semantic ontological model, first of its kind, is evaluated for technical compliance. We applied DSS and the ontological model in a real‐world use case and demonstrate viability and applicability of our approach.
Sensing layer combination of vertically aligned ZnO nanorods and graphene oxide for ultrahigh sensitivity IDE capacitive humidity sensor
Authors: Pongampai Satana , Pengpad Puttapon , Meananeatra Rattanawan , Chaisriratanakul Woraphan , Poyai Amporn , Horprathum Mati , Chananonnawathorn Chanunthorn , Titiroongruang Wisut , Muanghlua Rangson
Published: April 2020

An interdigitated electrode (IDE) capacitive humidity sensor fabricated on a silicon substrate was used to investigate sensing materials, which proved to be an ultrahigh‐sensitivity humidity sensor. A sensing layer combination (SLC) between vertically aligned ZnO nanorods and optimal graphene oxide (GO) was prepared on the device and was tested as a humidity sensor. X‐ray diffractometry (XRD) exhibited crystallized wurtzite structure of ZnO nanorods and transmission electron microscope (TEM) shown perfectly indexed hexagonal wurtzite ZnO structure dots position correspondence. A scanning electron microscope (SEM) was used to analyze ZnO nanorods/GO morphologies. Furthermore, Raman spectroscopy and X‐ray photoelectron spectroscopy (XPS) clearly exhibited GO presence and hydrophilic functional groups (carboxyl, epoxy, and hydroxyl), respectively. The SLC prominently demonstrated ultrahigh sensitivity (up to 196.95% or 1.97 times from commercial sensor; HS1101, Humirel) and linear responses behavior with 0.96 for coefficient of determination. The device sensitivity obviously improved as steps of 40, 50, 60, 70, 80, and 90% RH at values of 1.09, 1.41, 1.51, 1.65, 1.80, and 1.91 times, respectively. The device also exhibited fast response (25 s) and short recovery times (17 s). Its hysteresis (6.58%) manifestly improved to 1.84 times. Moreover, repeatability and long‐term ability of the device demonstrated high accuracy (range ±0.37pF) and durability. © 2020 Institute of Electrical Engineers of Japan. Published by John Wiley & Sons, Inc.
Toxicokinetics and toxicodynamics of the fentanyl homologs cyclopropanoyl-1-benzyl-4´-fluoro-4-anilinopiperidine and furanoyl-1-benzyl-4-anilinopiperidine
Authors: Gampfer Tanja M. , Wagmann Lea , Park Yu Mi , Cannaert Annelies , Herrmann Jennifer , Fischmann Svenja , Westphal Folker , Müller Rolf , Stove Christophe P. , Meyer Markus R.
Published: April 2020

The two fentanyl homologs cyclopropanoyl-1-benzyl-4´-fluoro-4-anilinopiperidine (4F-Cy-BAP) and furanoyl-1-benzyl-4-anilinopiperidine (Fu-BAP) have recently been seized as new psychoactive substances (NPS) on the drugs of abuse market. As their toxicokinetic and toxicodynamic characteristics are completely unknown, this study focused on elucidating their in vitro metabolic stability in pooled human liver S9 fraction (pHLS9), their qualitative in vitro (pHLS9), and in vivo (zebrafish larvae) metabolism, and their in vitro isozyme mapping using recombinant expressed isoenzymes. Their maximum-tolerated concentration (MTC) in zebrafish larvae was studied from 0.01 to 100 µM. Their µ-opioid receptor (MOR) activity was analyzed in engineered human embryonic kidney (HEK) 293 T cells. In total, seven phase I and one phase II metabolites of 4F-Cy-BAP and 15 phase I and four phase II metabolites of Fu-BAP were tentatively identified by means of liquid chromatography high-resolution tandem mass spectrometry, with the majority detected in zebrafish larvae. N-Dealkylation, N-deacylation, hydroxylation, and N-oxidation were the most abundant metabolic reactions and the corresponding metabolites are expected to be promising analytical targets for toxicological analysis. Isozyme mapping revealed the main involvement of CYP3A4 in the phase I metabolism of 4F-Cy-BAP and in terms of Fu-BAP additionally CYP2D6. Therefore, drug-drug interactions by CYP3A4 inhibition may cause elevated drug levels and unwanted adverse effects. MTC experiments revealed malformations and changes in the behavior of larvae after exposure to 100 µM Fu-BAP. Both substances were only able to produce a weak activation of MOR and although toxic effects based on MOR activation seem unlikely, activity at other receptors cannot be excluded.
Pointwise Bounds for Joint Eigenfunctions of Quantum Completely Integrable Systems
Authors: Galkowski Jeffrey , Toth John A.
Published: April 2020

Let (M, g) be a compact Riemannian manifold of dimensionnand$$P_1:=-h^2\Delta _g+V(x)-E_1$$P1:=-h2Δg+V(x)-E1so that$$dp_1\ne 0$$dp1≠0on$$p_1=0$$p1=0. We assume that$$P_1$$P1is quantum completely integrable (ACI) in the sense that there exist functionally independent pseuodifferential operators$$P_2,\dots P_n$$P2,⋯Pnwith$$[P_i,P_j]=0$$[Pi,Pj]=0,$$i,j=1,\dots n$$i,j=1,⋯n. We study the pointwise bounds for the joint eigenfunctions,$$u_h$$uhof the system$$\{P_i\}_{i=1}^n$${Pi}i=1nwith$$P_1u_h=E_1u_h+o(1)$$P1uh=E1uh+o(1). In Theorem 1, we first give polynomial improvements over the standard Hörmander bounds for typical points inM. In two and three dimensions, these estimates agree with the Hardy exponent$$h^{-\frac{1-n}{4}}$$h-1-n4and in higher dimensions we obtain a gain of$$h^{\frac{1}{2}}$$h12over the Hörmander bound. In our second main result (Theorem 3), under a real-analyticity assumption on the QCI system, we give exponential decay estimates for joint eigenfunctions at points outside the projection of invariant Lagrangian tori; that is at points$$x\in M$$x∈Min the “microlocally forbidden” region$$p_1^{-1}(E_1)\cap \dots \cap p_n^{-1}(E_n)\cap T^*_xM=\emptyset .$$p1-1(E1)∩⋯∩pn-1(En)∩Tx∗M=∅.These bounds are sharp locally near the projection of the invariant tori.
Topological computation of Stokes matrices of some weighted projective lines
Authors: Sattelberger Anna-Laura
Published: April 2020

By mirror symmetry, the quantum connection of a weighted projective line is closely related to the localized Fourier–Laplace transform of some Gauß–Manin system. Following an article of D’Agnolo, Hien, Morando, and Sabbah, we compute the Stokes matrices for the latter at$$\infty $$∞for the cases$${\mathbb {P}}(1,3)$$P(1,3)and$${\mathbb {P}}(2,2)$$P(2,2)by purely topological methods. We compare them to the Gram matrix of the Euler–Poincaré pairing on$$D^b(\mathrm{Coh}({\mathbb {P}}(1,3)))$$Db(Coh(P(1,3)))and$$D^b(\mathrm{Coh}({\mathbb {P}}(2,2)))$$Db(Coh(P(2,2))), respectively. This article is based on the doctoral thesis of the author.
A field study to evaluate PMI estimation methods for advanced decomposition stages
Authors: Pittner Stefan , Bugelli Valentina , Weitgasser Katharina , Zissler Angela , Sanit Sangob , Lutz Lena , Monticelli Fabio , Campobasso Carlo P. , Steinbacher Peter , Amendt Jens
Published: April 2020

Estimating the postmortem interval (PMI) is one of the major tasks and a continuous challenge in forensic pathology. It is often an exclusion process of available methods, which ultimately can lead to an unsatisfactory outcome due to poor reliability. This problem is most acute in the late PMI, when decomposition proceeds and some methods (such as rigor, livor, and algor mortis) are no longer applicable. Several methods, such as forensic entomology, skeletal muscle protein degradation, and the study of body decomposition by application of a morphological scoring, are expected to provide further information; however, all have certain limitations and weaknesses. Availability of a tool-box of methods allows a case-specific selection of the most appropriate one(s), or eventually provides improvements in the overall accuracy and precision of the PMI estimation by merging and combining methods. To investigate practical (field) application, eventual interferences, and/or synergetic effects, as well as the robustness of these methods towards specific influencing factors, a field study was conducted, using eight pig cadavers of different body weights and physical coverage, left to decompose under natural conditions for 16 days. Morphological changes during decomposition were assessed using the total body score (TBS), muscle samples were collected to analyze protein degradation, and insect colonization was evaluated. The results reveal strengths and current limitations of all tested methods, as well as promising synergistic effects, and thus, provide a baseline for targeted future research.
A survey of school’s preparedness for managing anaphylaxis in pupils with food allergy
Authors: Raptis George , Perez-Botella Mercedes , Totterdell Rebecca , Gerasimidis Konstantinos , Michaelis Louise J.
Published: April 2020

Allergic diseases are on the increase and can affect the child’s well-being. The aim of this survey was to assess regional schools’ preparedness in dealing with anaphylaxis following the publication of national and international guidelines for schools in 2014. The survey was developed in 2015 and distributed to schools in Cumbria, North West England, UK between 2015 and 2016. Only 47% of the respondents (95% CI, 39–57%) felt confident to manage anaphylaxis. Schools without allergic pupils were significantly less likely to have a standard management protocol in place for emergencies compared to those with allergic pupils (p < 0.001). The majority of the schools indicated that further training was needed (81% (95% CI, 74–88%).

Conclusion: At the time of the survey, schools’ preparedness in the region, did not meet safety standards recommended by national and international organisations. Although schools have shown eagerness in accessing training in the management of anaphylaxis, tailored training for schools is not yet widely available. There is now an urgent need to design feasible training strategies that create a safe environment for allergic pupils across all UK schools.

What is Known:• One quarter of the severe allergic reactions take place for the first time while at school with some of them being fatal.• School staff is ill-prepared in the management of anaphylaxis. Access to formal training is not widely available.

What is New:• School staff remains unconfident in managing the severe allergic child.Training in the management of anaphylaxis is scarce, and when available, it does not offer the required depth to cover the holistic needs of allergic pupils.• Schools would welcome generic adrenaline autoinjectors and a national policy with central funding which would describe step by step the necessary measures for the management of anaphylaxis.
The experimental study of the effectiveness of Kohonen maps and autoassociative neural networks in the qualitative analysis of multidimensional data by the example of real data describing coal susceptibility to fluidal gasification
Authors: Jamróz Dariusz
Published: April 2020

The qualitative analysis of multidimensional data using their visualization allows to observe some characteristics of data in a way which is the most natural for a human, through the sense of sight. Thanks to such an approach, some characteristics of the analyzed data are simply visible. This allows to avoid using often complex algorithms allowing to examine specific data properties. Visualization of multidimensional data consists in using the representation transforming a multidimensional space into a two-dimensional space representing a computer screen. The important information which can be obtained in this way is the possibility to separate points belonging to different classes in the multidimensional space. Such information can be directly obtained if images of points belonging to different classes occupy other areas of the picture presenting these data. The paper presents the effectiveness of the qualitative analysis of multidimensional data conducted in this way through their visualization with the application of Kohonen maps and autoassociative neural networks. The obtained results were compared with results obtained using the perspective-based observational tunnels method, PCA, multidimensional scaling and relevance maps. Effectiveness tests of the above methods were performed using real seven-dimensional data describing coal samples in terms of their susceptibility to fluidal gasification. The methods’ effectiveness was compared using the criterion for the readability of the multidimensional visualization results, introduced in earlier papers.