bluuebunny/crossref_metadata_2025 huggingface dataset:
Electron irradiation induced molecular changes in PMMA: A positron spectroscopy study
Authors: Awad Somia , Alkureda Tahani , Abdel‐Hady Esam E. , Gomaa Mahmoud M.
Published: October 2020

To examine the positron annihilation parameters with regard to microstructural changes, the positron annihilation lifetime spectroscopy and measurements of the Doppler broadening of annihilation radiation (DBAR) of electron‐irradiated poly(methyl methacrylate) were carried out at room temperature. Trapping rate equations were applied in terms of the positron bulk lifetime as well as the positron lifetime fitting results to investigate the molecular changes due to electron irradiation effects. It was found that the mean positron lifetime shows the same trend as the o‐Ps intensity. In disordered regions, the positronium trapping rate suggests that trapping of o‐Ps increases with increasing electron irradiation fluence until electron fluence reached 5.9 × 1013 electrons/cm2, after which it begins to decrease. The line shape S‐parameter was found to have similar behavior as the o‐Ps intensity, and suggests that poly(methyl methacrylate) undergoes chain scission, followed by cross‐linking, and eventually degradation, due to the electron radiation effects. The results of positron annihilation spectroscopy were verified by X‐ray results, mechanical, and electrical measurements.
The synthesis of meltable and highly thermostable triazine‐DOPO flame retardant and its application in PA66
Authors: Guo Shangzhen , Bao Ming , Ni Xiuyuan
Published: October 2020

A melting phosphorous‐nitrogen flame retardant was synthesized via the addition reaction of 9,10‐dihydro‐9‐oxa‐10‐phosphaphenanthrene‐10‐oxide (DOPO) and 2,4,6‐triallyloxy‐1,3,5‐triazine (TAC). The synthesized product from DOPO and TAC (DT) flame retardant possesses high thermal stability with T5wt% at 340°C, which can meet the high‐temperature processing for polyamide 6,6 (PA66) and other engineering plastics. The chemical structures of DT were characterized by nuclear magnetic resonance and infrared spectrometry. The PA composites were fabricated via blending PA66 with DT and poly‐phenyl ether (PPO) as charring agent. The results show that the PA composites exhibit strong flame retardancy with limited oxygen index reaching to 29.0%. As compared to the neat PA66, the total heat release and the effective heat of combustion were decreased by 27% and 21%, respectively. The mechanism study revealed that the thermal cleavage of DT gave the phosphorus‐containing free radicals and incombustible nitrogen‐containing gas, indicating the ability of DT to flame‐inhibition in the gas phase. Moreover, the char formation of the PA66‐based composites was facilitated by the synergistic effect from DT and PPO. This study may gain a potential technical route to manufacture the flame‐retardant PA66 materials for the melt spinning of fibers.
Effect of sulfonic acid‐functionalized polysilsesquioxane on new semifluorinated sulfonated polytriazole composites and investigation of proton exchange membrane properties
Authors: Saha Sayantani , Banerjee Susanta
Published: October 2020

A new semifluorinated sulfonated copolytriazole is synthesized, maintaining a particular degree of sulfonation of 80% following the click reaction of two terminal azides 1,4‐bis‐[{2′‐trifluromethyl 4′‐(4″‐azidophenyl)phenoxy}]phenyl, and 4,4′‐diazido‐2,2′‐stilbenedisulfonic acid disodium salt with equal molar amounts of two dialkyne monomers namely, 1,3‐diethynylbenzene and 3,5‐bis(prop‐2‐ynyloxy)benzoic acid and designated as PTEHCSH‐80. Further, the copolytriazole is used to prepare polymer composites employing the sol‐gel reaction of the starting precursor sol 3‐(trihydroxylsilyl) propane‐1‐sulfonic acid. The weight percentage (wt%) of the filler is varied from 0 to 10 wt%, and a series of polymer composite films are prepared and abbreviated as PTEHCSH‐80/X (where X is wt% of the filler, X = 0. 2.5, 5.0, 7.5, 10.0). All the polymer composites are characterized through FTIR spectroscopic techniques. The composite films revealed various desirable properties such as high thermochemical and dimensional and mechanical stabilities in their corresponding acid form. Moreover, the composites exhibited proton conductivities ranging from 62 to 98, 117 to 182, and 131 to 195 mS/cm at three different temperatures 30°C, 80°C, and 90°C, respectively, in a hydrated state.
Study on the interfacial interactions and adhesion behaviors of various polymer‐metal interfaces in nano molding
Authors: Liu Donglei , Zhou Feng , Li HongChen , Xin Yong , Yi Zewei
Published: October 2020

This study focuses on investigating interfacial interactions and the adhesion mechanism of polymer‐metal interfaces in nano‐molding. Polyphenylene sulfide (PPS), polyamide 6 (PA6), and isotactic polypropylene (iPP) were chosen as candidate polymers, and aluminum (Al), and copper (Cu) were used as metal substrates. By establishing the metal matrix composed of a rectangular pit with length, width, and depth of 4.5, 4.5, and 2.0 nm, respectively, six paired polymer‐metal interfacial systems in a cuboid of 7.5 × 7.5 × 11.5 nm, consisting of metal, polymer, and vacuum layer (from bottom to top) were constructed. Molecular dynamics simulations were performed to calculate interfacial interactions and bonding processes. Results showed that wall‐slip behavior was pronounced in nano‐molding. Viscoelasticity and polarity of the polymers played a crucial role in interfacial interactions, which guided the wall‐slip behavior and greatly affected the bolt performance. PA6 and PPS were more suitable for molding than iPP on both Al and Cu substrates. PA6 showed the best filling and bonding performances, followed by PPS, while iPP revealed the poorest performances. The Cu substrate exhibited better anchor strength and filling rate than Al substrates with the same polymer.
Risk of Venous Thromboembolism Associated With Tofacitinib and Baricitinib: A Systematic Review and Indirect Meta‐Analysis
Authors: Giménez Poderós Teresa , Gallardo Borge Sara , Vazquez‐Ferreiro Pedro
Published: October 2020

To conduct a systematic review and meta‐analysis investigating the effect of tofacitinib and baricitinib on venous thromboembolism (VTE) risk. Search of PubMed, EMBASE, Web of Science, Scopus, ClinicalTrials.gov, LILACS, and Google Scholar databases to identify controlled observational and clinical trials reporting on adverse effects in patients treated with oral tofacitinib or baricitinib up to July 2020. The outcome measure was occurrence of VTE events. We analyzed 59 studies involving 14,335 patients treated with tofacitinib or baricitinib and 11,612 patients who received another active drug or placebo. The meta‐analysis showed an odds ratio (OR) for VTE events of 0.29 (95% confidence interval [CI] = 0.10–0.84) overall for tofacitinib based on data from 10 clinical trials with 15 treatment arms; similar ORs were observed for the 10 mg/d dose (OR = 0.18; 95% CI = 0.02–1.60) and the 20 mg/d dose (OR = 0.19; 95% CI = 0.04–0.91). The ORs for VTE events for baricitinib were 3.39 (95% CI = 0.82–14.04) overall, 3.05 (95% CI = 0.12–75.43) for 2 mg, 3.64 (95% CI = 0.59–22.46) for 4 mg, and 3.0 (95% CI = 0.12–76.49) for 7 mg. The indirect meta‐analysis comparing tofacitinib with baricitinib (10 clinical trials with 15 treatment arms) showed an OR for VTE events of 0.086 (95% CI = 0.02–0.51) for tofacitinib and a superior safety profile for VTE events. In the meta‐regression analysis (19 clinical trials with 21 treatment arms), the effect was 0.02 (95% CI = −0.04 to 0.08) for tofacitinib and −0.01 (95% CI = −1.29 to 1.26 for baricitinib. Plotting of the data for tofacitinib showed that VTE risk increased with high doses. The effect, however, was less than 1 for the 10‐mg and 20‐mg doses, indicating a protective effect. This effect was not observed for baricitinib. Tofacitinib is not associated with an increased risk of VTE and has a superior safety profile to baricitinib in this respect. Tofacitinib may exert a protective effect against VTE.
Using Child‐Pugh Class to Optimize Voriconazole Dosage Regimens and Improve Safety in Patients with Liver Cirrhosis: Insights from a Population Pharmacokinetic Model‐based Analysis
Authors: Wang Taotao , Yan Miao , Tang Dan , Dong Yuzhu , Zhu Li , Du Qian , Sun Dan , Xing Jianfeng , Dong Yalin
Published: October 2020

Background

Cirrhotic patients are at a high risk of fungal infections. Voriconazole is widely used as prophylaxis and in the treatment of invasive fungal disease. However, the safety, pharmacokinetics, and optimal regimens of voriconazole are currently not well defined in cirrhotic patients.

Design

Retrospective pharmacokinetics study.

Setting

Two large, academic, tertiary‐care medical center.

Patients

Two hundred nineteen plasma trough concentrations (Cmin) from 120 cirrhotic patients and 83 plasma concentrations from 11 non‐cirrhotic patients were included.

Methods

Data pertaining to voriconazole were collected retrospectively. A population pharmacokinetics analysis was performed and model‐based simulation was used to optimize voriconazole dosage regimens.

Results

Voriconazole‐related adverse events (AEs) developed in 29 cirrhotic patients, and the thresholdCminfor AE was 5.12 mg/L. A two‐compartment model with first‐order elimination adequately described the data. The Child‐Pugh class and body weight were the significant covariates in the final model. Voriconazole clearance in non‐cirrhotic, Child‐Pugh class A and B cirrhotic (CP‐A/B) and Child‐Pugh class C cirrhotic (CP‐C) patients was 7.59, 1.86, and 0.93 L/hour, respectively. The central distribution volume and peripheral distribution volume was 100.8 and 55.2 L, respectively. The oral bioavailability was 91.6%. Model‐based simulations showed that a loading dose regimen of 200 mg/12 hours intravenously or orally led to 65.0–75.7% of voriconazoleCminin therapeutic range on day 1, and the appropriate maintenance dosage regimens were 75 mg/12 hours and 150 mg/24 hours intravenously or orally for CP‐A/B patients, and 50 mg/12 hours and 100 mg/24 hours intravenously or orally for CP‐C patients. The predicted probability of achieving the therapeutic target concentration for optimized regimens at steady‐state was 66.8–72.3% for CP‐A/B patients and 70.3–74.0% for CP‐C patients.

Conclusions

These results recommended that the halved loading dose regimens should be used, and voriconazole maintenance doses in cirrhotic patients should be reduced to one‐fourth for CP‐C patients and to one‐third for CP‐A/B patients compared to that for patients with normal liver function.
Negative cancer beliefs: Socioeconomic differences from the awareness and beliefs about cancer survey
Authors: Sarma Elizabeth A. , Quaife Samantha L. , Rendle Katharine A. , Kobrin Sarah C.
Published: October 2020

Objective

Socioeconomic gaps in cancer mortality may be driven partially by poorer uptake of early detection behaviors among lower socioeconomic status (SES) groups. Lower SES groups may hold both fewer positive and more negative cancer beliefs that discourage these behaviors. We examined SES differences in positive and negative cancer beliefs in US adults.

Methods

We conducted telephone interviews with a population‐representative sample, aged 50+, using the Awareness and Beliefs about Cancer instrument (N = 1425). Cancer beliefs were measured using three positively and three negatively framed items. We used multivariable logistic regression models to examine associations between beliefs and education, which served as a marker of individual‐level SES.

Results

Agreement with positive statements was high (>80%) and did not vary with education, while agreement with negative statements varied. Relative to adults with a bachelor's degree, adults with a high school degree or less were more likely to agree that “treatment is worse than cancer” (45.2% vs. 68.2%; adjusted odds ratio (aOR) = 2.43, 99% CI = 1.50–3.94), cancer is “a death sentence” (17.4% vs. 33.2%; aOR = 2.51, 99% CI = 1.45–4.37), and they “would not want to know if I have cancer” (15.7% vs. 31.6%; aOR = 2.88, 99% CI = 1.54–5.36).

Conclusions

Positive cancer statements were generally endorsed, but negative statements were more frequently endorsed by lower SES groups. Additional work is needed to understand how negative beliefs develop and coexist alongside positive beliefs. Interventions to improve detection behaviors targeting lower SES groups may benefit from focusing on reducing negative beliefs, rather than increasing positive beliefs.
HerbiPAD: a free web platform to comprehensively analyze constitutive property and herbicide‐likeness to estimate chemical bioavailability
Authors: Huang Jun‐Jie , Wang Fan , Ouyang Yan , Huang Yuan‐Qin , Jia Chen‐Yang , Zhong Hang , Hao Ge‐Fei
Published: October 2020

BACKGROUND

Herbicides, as efficient weed control measures, play a crucial role in ensuring food security. The emergence of herbicide‐resistant weeds has negatively affected food security and promoted the demand for new and improved herbicides. The balance between bioavailability and the potency of a compound is one of the most pressing challenges in the development of novel ideal herbicides. Herbicide‐likeness analysis is crucial for the evaluation of this balance and thus may help to address this issue. Many herbicide‐likeness analysis methods have been developed to screen potential novel lead compounds. However, there remains a lack of user‐friendly and integrated tools to comprehensively evaluate herbicide‐likeness.

RESULTS

Herbicide‐likeness of compounds was assessed through integrated analysis incorporating the physicochemical properties of commercial herbicides, a qualitative rule, and three quantitative scoring functions developed for evaluating herbicide‐likeness. HerbiPAD (http://agroda.gzu.edu.cn:9999/ccb/database/HerbiPAD/) is a free web platform integrated with the collected database and scoring model. This platform contains 542 approved herbicides and > 29 000 physicochemical descriptors. The accuracy of HerbiPAD in distinguishing known herbicides from nonherbicides was 84.2%. In the case study, HerbiPAD evaluated 60 new compounds from seven different herbicide targets, and the accuracy of predicting better bioavailability was 83.3%.

CONCLUSIONS

HerbiPAD was designed to quickly and efficiently evaluate herbicide‐likeness by integrating qualitative and quantitative analyses. The simple and effective interpretation of the analysis interface may help noncomputational experts understand herbicide‐likeness. © 2020 Society of Chemical Industry
Failure mode and effect analysis using multi‐linguistic terms and Dempster–Shafer evidence theory
Authors: Hu Yushan , Gou Linfeng , Deng Xinyang , Jiang Wen
Published: October 2020

Failure mode and effect analysis (FMEA) is a useful technique to identify and quantify potential failures. FMEA determines a potential failure mode by evaluating risk factors. In recent years, there are many works improving FMEA by allowing multiple experts to use linguistic term sets to evaluate risk factors. However, it is important to design a framework that can consider both the weight of risk factors and the weight of the experts. In addition, managing conflicts among experts is also an urgent problem to be addressed. In this paper, we proposed an FMEA model based on multi‐granularity linguistic terms and the Dempster–Shafer evidence theory. On the other hand, the weights for both experts and risk factors are taken into consideration. The weights are computed objectively and subjectively to ensure the reasonability. Further, we apply our method to an emergency department case, which shows the effectiveness of the method.
Network‐based robust event‐triggered control for continuous‐time uncertain semi‐Markov jump systems
Authors: Zhang Linchuang , Sun Yonghui , Pan Yingnan , Hou Dongchen , Wang Sen
Published: October 2020

This article investigates the event‐triggered (ET) states feedback robustcontrol problem for a class of continuous‐time networked semi‐Markov jump systems (S‐MJSs). An ET scheme, which depends on semi‐Markov process, is presented to design a suitable controller and save communication resources. To cope with the network transmission delay phenomenon, a time‐delay S‐MJSs model under the ET scheme is introduced to describe this phenomenon. Then, it is assumed that the communication links between event detector and zero‐order holder are imperfect, where the signal quantization and the actuator fault occur simultaneously. The sufficient conditions are derived by means of linear matrix inequalities approach, which guarantees the stochastic stability of the constructed time‐delay S‐MJSs in an optimizedperformance level. Based on these criteria, the parameters of controller under the ET scheme are readily calculated. Some simulation results with respect to F‐404 aircraft engine system for two kinds of ET parameters are given to validate the proposed method.
Ensuring performance requirements for semiactive suspension with nonconventional control systems via robust linear parameter varying framework
Authors: Németh Balázs , Gáspár Péter
Published: October 2020

In the article a method which is able to provide the required performance level of a system is proposed. Its principle is to combine the results of conventional control methods with those of methods based on nonconventional, for example, machine‐learning‐based ones. In more detail, it designs a robust linear parameter varying (LPV) control in a predefined form, whose output is equivalent to the output of a machine‐learning‐based control inside a predefined operational range. Outside of the operation range the output of the machine‐learning‐based control is overridden, while the intervention with the performance level is guaranteed. The efficiency of the proposed method is illustrated through an example on the semiactive suspension control design. The nonlinearities in the dynamics of the magneto‐rheological damper are considered through a nonlinear parameter varying (NLPV) model. It designs an NLPV model‐based LPV control, which is combined with a neural network to achieve preview capability.
A probabilistic approach to the leader problem in random graphs
Authors: Addario‐Berry Louigi , Bhamidi Shankar , Sen Sanchayan
Published: October 2020

We study the fixation time of the identity of the leader, that is, the most massive component, in the general setting of Aldous's multiplicative coalescent, which in an asymptotic sense describes the evolution of the component sizes of a wide array of near‐critical coalescent processes, including the classical Erdős‐Rényi process. We show tightness of the fixation time in the “Brownian” regime, explicitly determining the median value of the fixation time to within an optimal O(1) window. This generalizes Łuczak's result for the Erdős‐Rényi random graph using completely different techniques. In the heavy‐tailed case, in which the limit of the component sizes can be encoded using a thinned pure‐jump Lévy process, we prove that only one‐sided tightness holds. This shows a genuine difference in the possible behavior in the two regimes.
Long paths and connectivity in 1‐independent random graphs
Authors: Day A. Nicholas , Falgas‐Ravry Victor , Hancock Robert
Published: October 2020

A probability measure on the subsets of the edge set of a graph G is a 1‐independent
probability measure (1‐ipm) on G if events determined by edge sets that are at graph distance at least 1 apart in G are independent. Given a 1‐ipm , denote by the associated random graph model. Let denote the collection of 1‐ipms on G for which each edge is included in with probability at least p. For , Balister and Bollobás asked for the value of the least p⋆ such that for all p > p⋆ and all , almost surely contains an infinite component. In this paper, we significantly improve previous lower bounds on p⋆. We also determine the 1‐independent critical probability for the emergence of long paths on the line and ladder lattices. Finally, for finite graphs G we study f1, G(p), the infimum over all of the probability that is connected. We determine f1, G(p) exactly when G is a path, a complete graph and a cycle of length at most 5.
Does harvesting cover crops eliminate the benefits of cover crops? Insights after three years
Authors: Blanco‐Canqui Humberto , Drewnoski Mary E. , Rice Daniel G.
Published: October 2020

Harvesting cover crops (CCs) can provide economic benefits, but its impacts on soils and crop yields are little known. We studied the 3‐yr cumulative impacts of CC harvest on soil compaction, water and wind erosion potential, water infiltration, fertility, and crop yields under irrigated no‐till continuous corn (Zea mays L.) silage in southeastern Nebraska. Treatments were: (a) no CC, (b) non‐harvested multspecies CC mix, and (c) harvested CC mix (10‐cm cutting height). Compared with non‐harvested CC, harvested CCs did not affect bulk density or penetration resistance, indicating that it did not increase soil compaction risks. Similarly, it did not affect wet aggregate stability. Harvested CCs, however, reduced total cumulative infiltration by 63% (27.7 vs. 10.33 cm), organic matter concentration by 9% (44 vs. 40 g kg–1), and dry aggregate size by 21% (1.58 vs. 1.25 mm), relative to non‐harvested CCs, suggesting that harvesting CCs may reduce CC benefits of water capture and wind erosion control. Compared with no CCs, harvested CCs reduced wind‐erodible fraction by 36% (0.58 vs. 0.37) and nitrate concentration by 37% (81 vs. 51 mg kg–1), and increased dry aggregate size by 38% (0.77 vs 1.25 mm). These results suggest that harvested CCs can still provide benefits for reducing wind erosion and nitrate leaching potential relative to not planting CCs. Harvested CCs did not reduce corn silage yield in two of three years. Overall, harvesting CCs did not reduce all the soil benefits, but long‐term (>3 yr) monitoring is needed to fully understand CC harvest impacts.
Effect of Surfactants on the Structural and Luminescence Properties of γ‐CuI Nanocrystals Synthesized by Facile Sonochemical Method
Authors: Singh Narinder , Taunk Manish
Published: October 2020

Semiconducting cuprous iodide (CuI) nanocrystals have been synthesized by the one‐pot sonochemical method at room temperature. The synthesis was performed in aqueous medium using ascorbic acid, polyvinyl pyrrolidone, p‐toluene sulfonic acid and docusate sodium as surfactants. X‐ray diffraction (XRD) study of resulting material reveals the crystalline nature, cubic zinc blende lattice structure and γ phase of CuI nanocrystals. Scherrer method, Williamson‐Hall plot and Size‐Strain plot method have been used to investigate the particle size and intrinsic strain values from the XRD analysis. Field emission scanning electron microscopy (FESEM) revealed the morphology and different shapes (truncated tetrahedron, irregular, hexagonal & clustered) of CuI nanocrystals synthesized using different surfactants. In the PL spectrum of γ‐CuI nanoparticles strong near band‐edge emission was observed at about 423 nm. A slight red‐shift in near band edge emission was observed due to the presence of surfactants. Enhanced electrical conductivity values (1.96 S/cm–9.19 S/cm) were obtained due to the presence of surfactants for γ‐CuI nanocrystals. These properties of CuI nanocrystals makes them a suitable material for the design and development of optoelectronic devices.
Photocatalytic Degradation of Methylene Blue Dye by Calcium‐and Magnesium‐Based Silicate Ceramics
Authors: Kumar Venkatraman Senthil , Saraswat Mohit , Choudhary Rajan , Senatov Fedor , Kaloshkin Sergey , Swamiappan Sasikumar
Published: October 2020

Photocatalytic degradation of Methylene Blue (MB) dye by using Larnite (2CaO.SiO2), Forsterite (2MgO.SiO2), and Diopside (CaO.MgO.2SiO2) under sunlight was investigated in this study. The silicate materials under catalytic examination were synthesized by the sol‐gel assisted combustion route and further characterized by UV‐visible Diffuse Reflectance Spectroscopy (DRS) for the bandgap measurement. The bandgap of as‐prepared silicates was found to be lesser than 3.3 eV. The UV‐visible spectroscopy and Chemical Oxygen Demand (COD) analysis results showed that silicate glass ceramics possess the good capability to degrade methylene blue dye in the presence of sunlight. Further degradation studies under visible and UV light irradiation was carried out and kinetics was plotted in terms of ln(C/C0) vs time for a comparative study. The photocatalytic activity of these ceramics decreases drastically from larnite to forsterite due to the presence of different metal oxides. The superior photocatalytic behavior of larnite (67.2 %, 90 %, and 97 % of MB dye degradation under sunlight, visible light, and UV light respectively), when compared to diopside, corresponds to the higher calcium oxide (CaO) to silica (SiO2) ratio.
Silver‐Catalyzed Trifluoromethylation of ortho CH Bonds in Anilines
Authors: Nguyen Tung T.
Published: October 2020

A method for ortho‐trifluoromethylation of C−H bonds in anilines has been developed. Reactions used nucleophilic TMSCF3 as trifluoromethylating reagent in the presence of silver pivalate (AgOPiv) catalyst. Functionalities such as halogen, nitro, and ketone groups were compatible with conditions.
A TGA Investigation to Co‐Pyrolysis Characteristics of Shenhua Direct Coal Liquefaction Residue and Huolinhe Lignite and the CO2 Gasification Behavior of the Derived Char
Authors: Fan Tao , Qu Yang , Chang Zhibing , Zhou Lingmei , Hao Yan , Liu Shuai , Chu Mo
Published: October 2020

Co‐pyrolysis of direct coal liquefaction residue (DCLR) and low rank coals was regarded as reliable and efficient method to process DCLR. The treatment of the derived co‐pyrolysis char is important for the comprehensive utilization of DCLR. In this study, the non‐isothermal co‐pyrolysis of Shenhua DCLR and Huolinhe lignite, and the isothermal CO2 gasification of the co‐pyrolysis char were performed by the thermogravimetric analysis method. The interactive effect of co‐pyrolysis and the CO2 gasification behavior of the derived char were explored by comparing the experimental and calculated thermogravimetric/derivative thermogravimetric (TG/DTG) curves and reactivity – conversion (R ‐ x) curves, respectively. The results show that the devolatilization pattern at 200–600 °C was modified and part of volatiles were released in advance. As the experimental co‐pyrolysis Tmax was lower by 7–13 °C than the calculated value, while it was almost equal to the Tmax of lignite pyrolysis. We tentatively concluded that lignite devolatilization could promote the evaporation of molten components of DCLR. Moreover, DCLR and lignite could polymerize or condensation with each other at 650–900 °C. The lignite char within co‐pyrolysis char could support the char skeleton and hold a high porosity. Therefore, the CO2 gasification reactivity of co‐pyroysis char was promoted and the experimental reactivity exceeded the calculated value over the conversion range of 12–90 %.
S2N2– A 6π‐Electron Ligand with Tunable σ‐ and π‐ Donor‐Acceptor Property
Authors: Sadik Mohammed N. K. , De Susmita
Published: October 2020

The usage of inorganic cyclic N‐donor based ligands, whose electronic properties can be easily and extensively tuned, are still underdeveloped. One such system is sulfur‐nitrogen compounds known to form η1and η2‐complexes with mono‐ and bi‐metallic transition metal fragments. We have undertaken an extensive theoretical investigation of the bonding nature betweenS2N2and 14 valence electron (VE) metal fragments in the mono and bi‐metallic S2N2[Mo(NO)Cl4]−and S2N2[Mo2(NO)2(Cl)8]2−. Our results indicate thatS2N2is a σ‐donor and π‐acceptor ligand. The EDA‐NOCV analysis demonstrates that the interaction betweenS2N2and metal fragments has a higher electrostatic character than a covalent character. On the contrary, the σ‐lone pair on N‐atom inS2N2is donated to the electron‐deficient 12 valence electron [Mo(NO)Cl4]+fragment in S2N2[Mo(NO)Cl4]+and S2N2[Mo2(NO)2(Cl)8]2+, while the electrons from theS2N2π‐MO are donated to the vacant d‐orbitals of the metal fragment. Besides, all these complexes show donation of lone pair on Cl attached to transition metal fragment to the S−N σ*‐MO, which can be considered as a σ‐hole that is involved in the chalcogen bond formation. Hence, our theoretical calculations suggest that theS2N2is a versatile ligand which can be tuned as σ‐donor, σ‐acceptor, π‐donor and π‐acceptor.
2‐(Het)aryl‐N‐phosphorylpyrrolidines via Cyclization of Phosphorus Acid Amides: A Regioselective Approach
Authors: Smolobochkin Andrey V. , Turmanov Rakhymzhan A. , Abdullaeva Dinara S. , Gazizov Almir S. , Voronina Julia K. , Appazov Nurbol O. , Buzyurova Daina N. , Burilov Alexander R. , Pudovik Michail A.
Published: October 2020

A first successful synthesis of 2‐(het)aryl‐N‐phosphorylpyrrolidines is reported starting from readily available N‐(4,4‐diethoxybutyl)amides of P(V) acids. A range of phenols and hydroxyl‐substituted O‐heterocycles may be employed into the reaction furnishing N‐phosphorylated 2‐(het)arylpyrrolidines with up to 90 % yield. The developed method permits a presence of sensitive to phosphorylation hydroxy groups and provides the easy and regioselective entry to target compounds.
Organocatalysis in the Synthesis of 1,2,3‐Triazoyl‐zidovudine Derivatives: Synthesis and Preliminary Antioxidant Activity
Authors: Gomes Carolina B. , Balaguez Renata A. , Larroza Allya , Smaniotto Thiago A. , Domingues Micaela , Casaril Angela M. , Silva Márcio S. , Rodrigues Oscar E. D. , Savegnago Lucielli , Alves Diego
Published: October 2020

We describe herein the organocatalyzed synthesis and preliminary results of antioxidant activities of a range of 1,2,3‐triazoyl‐zidovudine derivatives. These hybrid compounds were synthesized in moderate to excellent yields by reacting zidovudine 1 with a variety of functionalized keto compounds 2, such as β‐keto‐esters, β‐diketones, β‐keto‐amides, α‐keto‐nitriles, and β‐keto‐sulfones, in the presence of a catalytic amount of 1,8‐diazabicyclo[5.4.0]undec‐7‐ene (DBU) (10 mol %). Furthermore, the synthesized compounds were screened for their in vitro antioxidant activity. Compounds 3 a, 3 d, 3 g, and 3 l inhibited the formation of reactive oxygen species (ROS) and lipid peroxidation in the prefrontal cortex and hippocampus of mice with similar potency and efficacy.
Microstructures and Properties of T1 High‐Speed Steel Modified by In Situ Fe–Cr–Ti–C–N Nanocomposite Inoculants
Authors: Bai Lina , Cui Chunxiang , Wang Tiebao , Ding Jinhua , Zhang Qiangxiong
Published: October 2020

A Fe‐based nanocrystalline inoculant is designed and prepared via in situ synthesis based on material thermodynamics, where mechanical grinding in a ball grinder and heating in a vacuum tube furnace are important steps. The microstructure and mechanical properties of T1 high‐speed steel (T1 HSS) with and without addition of the inoculant are investigated using high‐resolution transition electron microscopy (HRTEM), scanning electron microscopy (SEM), X‐ray diffraction (XRD), and Vickers hardness testing (VHT). The Cr7C3 particles in the inoculant near the grain boundary of the Fe3W3C phase serve as a base for martensite and M6C heterogeneous nucleation, thereby increasing the nucleation rate and refining the matrix structure. The T1 HSS with the added inoculant exhibits superior hardness, impact toughness, and wear resistance after tempering treatment compared with the uninoculated control, where the hardness increases from 62.3 to 65.7 HRC with inoculation. Furthermore, the wear rate decreases from 0.0704% to 0.0551%, and the impact energy of T1 HSS after inoculation increases from 36.75% to 22.0638 J cm−2 under the same experimental conditions.
Primary Versus High School Students’ Environmental Attitudes and Pro-environmental Behavior: The Case of Embu County, Kenya
Authors: Nzengya Daniel M. , Rutere Francis
Published: October 2020

Degradation of natural resources exacerbates a country’s vulnerability to the effects of climate change. IPCC projections suggest that countries within the horn of Africa, which include Kenya, will suffer most from extreme climate change events, particularly more frequent and prolonged droughts. Women and children suffer disproportionately from the consequences of environmental degradation. Public participation is one of the strategies governments pursue to combat environmental degradation; however, there has been limited research to better understand students’ environmental attitudes and pro-environmental behavior to better inform student-led participatory designs. Students comprise a significant proportion of the population in Kenya. This research conducted in 2018 at Nginda Ward, Embu County, comprised a survey of 121 students: 58 high school and 63 primary school students. The research investigated students’ environmental knowledge, environmental attitudes, and pro-environmental behavior. Qualitative data were analyzed thematically. Multivariate statistics (MANOVA) were used to examine the relationship between the dependent variables and the participant’s gender and level of schooling. From the results obtained, the top five most frequently mentionedlocalenvironmental problems by the students sampled included water pollution, deforestation, air pollution, scarcity of safe sources for water for domestic use, and soil erosion. Inferential statistical results revealed that there is a significant relationship between students’ level of schooling and environmental attitudes,F = 11.79, (1, 120),p < 0.01. In addition, there is a significant relationship between students’ level of schooling and environmental knowledge,that is, perceived severity of environmental problems,F = 5.33, (1, 120),p < 0.05. Research findings further revealed a significant relationship between gender and environmental knowledge,F = 9.62, (1, 120),p < 0.01. However, gender differences in pro-environmental behavior were not statistically significant. Also, differences between primary and high school students’ pro-environmental behavior were insignificant.
Two-dimensional O(n) models and logarithmic CFTs
Authors: Gorbenko Victor , Zan Bernardo
Published: October 2020

Abstract

We study O(n)-symmetric two-dimensional conformal field theories (CFTs) for a continuous range of n below two. These CFTs describe the fixed point behavior of self-avoiding loops. There is a pair of known fixed points connected by an RG flow. When n is equal to two, which corresponds to the Kosterlitz-Thouless critical theory, the fixed points collide. We find that for n generic these CFTs are logarithmic and contain negative norm states; in particular, the O(n) currents belong to a staggered logarithmic multiplet. Using a conformal bootstrap approach we trace how the negative norm states decouple at n = 2, restoring unitarity. The IR fixed point possesses a local relevant operator, singlet under all known global symmetries of the CFT, and, nevertheless, it can be reached by an RG flow without tuning. Besides, we observe logarithmic correlators in the closely related Potts model.
„Crazy bitch!“ – Erlebte Aggression und Gewalt im Klinikalltag von Kinderärzten
Authors: Dresen Antje , Lee Susan , Pfaff Holger , Weiß Michael , Korsch Eckhard
Published: October 2020

Hintergrund

Es mehren sich Hinweise auf erlebte Aggressionen und Gewalt gegenüber Ärzten in Kinderkliniken. Sie werden im Kontakt mit Eltern oder Angehörigen in durch die Krankheit ihres Kindes emotional hochaufgeladenen Situationen berichtet. Mit dieser empirischen Studie wird der Frage nachgegangen, welches Ausmaß erlebtes aggressives und gewalttätiges Verhalten im Klinikalltag von Kinderärzten angenommen hat.

Methodik

Ausgewertet wurden Daten von 2 bislang unveröffentlichten bundesweiten Befragungen in den Jahren 2009 (n = 160) und 2017 (n = 190). Mit dem gleichen Fragebogen wurden etwa die Formen der aggressiven Handlung wie Druckausübung, Beschimpfung, Androhung von körperlicher Gewalt, Versuch der Anwendung von Gewalt und ausgeübte Gewalt sowie die Beschreibungen der dazugehörigen Situationen abgefragt. Die Inhalte der Beschimpfung und die Art der Bedrohung konnten über offene Fragen spezifiziert werden.

Ergebnisse

Etwa 4 von 5 Befragten informieren, jemals Ziel einer aggressiven Handlung von Eltern oder Angehörigen gewesen zu sein. In der deskriptiven Gegenüberstellung der Erhebungszeiträume betrachten die Befragten die Problematik des aggressiven Verhaltens als zunehmend relevant für ihren beruflichen Alltag. Im Jahr 2017 betonten dies 3 von 4 Befragten (71,0 %) gegenüber nur jedem Zweiten (51,9 %) im Jahr 2009. Vereinzelt wird von bis zu 60 Situationen berichtet, in beiden Befragungswellen im Median 4,0-mal/Jahr.

Diskussion

Erlebte Aggressionen und Gewalt gehören vielfach und vermehrt zum Klinikalltag auf den pädiatrischen Stationen – angefangen von Beleidigungen bis hin zu ausgeübter körperlicher Gewalt. Präventionsstrategien wie vorbeugende Trainings zu Kommunikation und Deeskalation werden explizit gewünscht.
The effect of obesity on revision rate in unicompartmental knee arthroplasty: a systematic review and meta-analysis
Authors: Musbahi Omar , Hamilton Thomas W. , Crellin Adam J. , Mellon Stephen J. , Kendrick Benjamin , Murray David W.
Published: October 2020

The number of patients with knee osteoarthritis, the proportion that is obese and the number undergoing unicompartmental knee arthroplasty (UKA) are all increasing. The primary aim of this systematic review was to determine the effects of obesity on outcomes in UKA. A systematic review was performed using PRISMA guidelines and the primary outcome was revision rate per 100 observed component years, with a BMI of ≥ 30 used to define obesity. The MINORS criteria and OCEBM criteria were used to assess risk of bias and level of evidence, respectively. 9 studies were included in the analysis. In total there were 4621 knees that underwent UKA. The mean age in included studies was reported to be 63 years (mean range 59.5–72 years old)) and range of follow up was 2–18 years. Four studies were OCEBM level 2b and the average MINORS score was 13. The mean revision rate in obese patients (BMI > 30) was 0.33% pa (95% CI − 3.16 to 2.5) higher than in non-obese patients, however this was not statistically significant (p = 0.82). This meta-analysis concludes that there is no significant difference in outcomes between obese and non-obese patients undergoing UKA. There is currently no evidence that obesity should be considered a definite contraindication to UKA. Further studies are needed to increase the numbers in meta-analysis to explore activity levels, surgeon’s operative data, implant design and perioperative complications and revision in more depth.

Level of evidence Level III.
Myco- and photobiont associations in crustose lichens in the McMurdo Dry Valleys (Antarctica) reveal high differentiation along an elevational gradient
Authors: Wagner Monika , Bathke Arne C. , Cary S. Craig , Green T. G. Allan , Junker Robert R. , Trutschnig Wolfgang , Ruprecht Ulrike
Published: October 2020

Climatically extreme regions such as the polar deserts of the McMurdo Dry Valleys (78° S) in Continental Antarctica are key areas for a better understanding of changes in ecosystems. Therefore, it is particularly important to analyze and communicate current patterns of biodiversity in these sensitive areas, where precipitation mostly occurs in form of snow and liquid water is rare. Humidity provided by dew, clouds, and fog are the main water sources, especially for rock-dwelling crustose lichens as one of the most common vegetation-forming organisms. We investigated the diversity and interaction specificity of myco-/photobiont associations of 232 crustose lichen specimens, collected along an elevational gradient (171–959 m a.s.l.) within the McMurdo Dry Valleys. The mycobiont species and photobiont OTUs were identified by using three markers each (nrITS, mtSSU, RPB1, and nrITS, psbJ-L, COX2). Elevation, positively associated with water availability, turned out to be the key factor explaining most of the distribution patterns of the mycobionts. Pairwise comparisons showed Lecidea cancriformis and Rhizoplaca macleanii to be significantly more common at higher elevations and Carbonea vorticosa and Lecidea polypycnidophora at lower elevations. Lichen photobionts were dominated by the globally distributed Trebouxia OTU, Tr_A02 which occurred at all habitats. Network specialization resulting from myco-/photobiont bipartite network structure varied with elevation and associated abiotic factors. Along an elevational gradient, the spatial distribution, diversity, and genetic variability of the lichen symbionts appear to be mainly influenced by improved water relations at higher altitudes.
The growing gap between demand and availability of clinical psychology in Paediatric Gastroenterology: a retrospective analysis of clinical routine care
Authors: Wong Eunice , Heuschkel Robert , Lindsay Caroline , Benson Sally , Zilbauer Matthias
Published: October 2020

Clinical psychology intervention in paediatric gastroenterology is vital given the biopsychosocial aetiology of paediatric functional gastrointestinal disorders, and the psychological impact of chronic conditions. The aim was to assess the availability and benefit of clinical psychology in paediatric gastroenterology across the UK and Germany. A retrospective assessment of referrals (n = 936 referrals) to clinical psychology was performed at our tertiary paediatric gastroenterology centre between 2010 and 2018. The availability of clinical psychologists and outcome of psychology intervention for children with functional abdominal pain were also assessed. Access to clinical psychology across the UK and Germany was assessed using an online questionnaire. We observed a substantial rise in the number of clinical psychology referrals between 2010 and 2018. Increasing demand was not matched by sufficient increase in availability of clinical psychology, leading to longer waiting times. A major benefit of clinical psychology intervention was highlighted with 95% of patients (n = 20) reporting a significant reduction in symptoms. Of the 12 centres who responded, 11 centres have direct access to clinical psychology with a mean of 13% of patients requiring psychology referrals annually.

Conclusion: Despite evidence of its benefit and increasing demand, there is insufficient access to clinical psychological services, highlighting the urgent need to address this important issue.

What is known:• The biopsychosocial pathophysiology of functional gastrointestinal disorders involves a disordered brain-gut interaction, which emphasizes the close link between psychological factors and altered gut function.• Psychological intervention, as an adjunct to medical treatment, improves outcomes in paediatric patients with gastrointestinal (GI) disease such as functional gastrointestinal disorders and inflammatory bowel diseasesWhat is new:• There is a rising number of referrals from paediatric gastroenterology to clinical psychology in our centre which is not met by a sufficient increase in the availability of clinical psychologists. Similarly, access to clinical psychological services is lacking in several paediatric gastroenterology centres in the UK and Germany.• Strategic action is required to address this important gap in the care of children suffering from GI diseases.
Strategies of urban trees for mitigating salt stress: a case study of eight plant species
Authors: Dmuchowski Wojciech , Brągoszewska Paulina , Gozdowski Dariusz , Baczewska-Dąbrowska Aneta H. , Chojnacki Tadeusz , Jozwiak Adam , Swiezewska Ewa , Suwara Irena , Gworek Barbara
Published: October 2020

Key message

Some species synthesize larger amounts of polyprenols, which probably increase the plant’s ability to mitigate salt stress. Salt stress does not cause macronutrient deficiency in the leaves of urban trees. Ionic imbalance in the leaves caused by soil salinity worsens the health status of sensitive species.

Street trees are exposed to relatively high stress levels, and the average lifespan of street trees is shortened compared to those of trees living under controlled natural conditions. Soil salinity adversely affects trees at all stages of growth and development. This study attempts to determine how the urban environment, with particular emphasis on salt stress, affects tree species with different levels of salinity sensitivity. The aim of this study was to identify the strategies of eight tree species for mitigating salt stress based on the determination of the chemical composition of the macroelements in the leaves, the ionic imbalance, and the ability of the trees to synthesize and accumulate polyprenols in the leaves. The obtained results suggest that individual species implemented different strategies in response to salt stress. The low sensitivity species:Q. rubra, R. pseudoacacia, G. triacanthosandA. campestre. blocked the uptake of Cl and Na to the leaves. The medium-sensitivity species:P. x hispanicablocked the uptake of Cl and Na andG. bilobamaintained very high contents of Cl and Na in its leaves without leaf damage and synthesized large amounts of polyprenols.G. triacanthos and A. campestresynthesized large amounts of polyprenols. The high-sensitivity species (T. x euchloraandA. platanoides) exhibited very high contents of Cl and Na in their leaves, which were significantly damaged and had a pronounced ionic imbalance. These effects were not compensated for by the increased synthesis of polyprenols. In conclusion, the accumulation of polyprenols in leaf tissue may be one of the strategies that increase the resistance of plants to salt stress. Plants have many other methods of mitigating salt stress.
Impact of COVID-19 lockdown on flash and real-time glucose sensor users with type 1 diabetes in England
Authors: Prabhu Navis Joshi , Leelarathna Lalantha , Mubita Womba , Urwin Andrea , Rutter Martin K. , Schofield Jonathan , Thabit Hood
Published: October 2020

Aims

People with type 1 diabetes (T1D) face the daily task of implementing self-management strategies to achieve their glycaemic goals. The UK COVID-19 lockdown has had an impact on day-to-day behaviour, which may affect diabetes self-management and outcomes. We assessed whether sensor-based outcomes pre- and during lockdown periods were different in a cohort of glucose sensor users with T1D.

Methods

Data were collected from Freestyle Libre (FSL) or Dexcom G6 sensor users who remotely shared their data with the diabetes clinic web platform. Sensor metrics according to international consensus were analysed and compared between pre-lockdown period and 2 and 3 weeks into lockdown (periods 1 and 2).

Results

Two hundred and sixty-nine T1D patients (baseline HbA1c 57 ± 14 mmol/mol) were identified as FSL (n = 190) or Dexcom G6 (n = 79) users. In patients with sensor use > 70% (N = 223), compared to pre-lockdown period percentage TIR 3.9–10 mM (TIR) significantly increased during period 1 (59.6 ± 18.2 vs. 57.5 ± 17.2%, p = 0.002) and period 2 (59.3 ± 18.3 vs. 57.5 ± 17.2%, p = 0.035). The proportion of patients achieving TIR ≥ 70% increased from 23.3% pre-lockdown to 27.8% in period 1 and 30.5% in period 2. A higher proportion also achieved the recommended time below and above range, and coefficient of variation in periods 1 and 2. Dexcom G6 users had significantly lower % time below range (< 3.9 mM) compared to FSL users during both lockdown periods (period 1: Dexcom G6 vs. FSL: 1.8% vs. 4%; period 2: 1.4% vs. 4%, p < 0.005 for both periods).

Conclusion

Sensor-based glycaemic outcomes in people with T1D in the current cohort improved during COVID-19 lockdown, which may be associated with positive changes in self-management strategies. Further work is required to evaluate long-term sustainability and support.