bluuebunny/crossref_metadata_2025 huggingface dataset:
Poly(arylene sulfide)s via nucleophilic aromatic substitution reactions of halogenated pyromellitic diimides
Authors: Besse Jason R. , Chasen Samuel L. , Claborn Tristan R. , Collins April N. , Darpel Abigail E. , Fatta Anna , Ghanim Ramy W. , Kanaan Ghady E. , Lukyanchuk Alexandr , Nelson Taylor L. , Ray Jessica L. , Smith Alexis L. , Spagnola James D. , Veazey Sarah A. , Womack Logan H. , Wells Michael D. , Panth Nabin , Parkin Sean , Watson Mark D.
Published: May 2022

Nucleophilic aromatic substitution (SNAr) reactions are exploited to prepare poly(arylene sulfide)s (PAS's) via the reaction of bis‐thiolates and dibrominated pyromellitic diimide (PMDI) derivatives. Small‐molecule model studies reveal the reaction is well‐defined and proceeds in quantitative yield in practical times at room temperature. Variation in comonomer feed ratios allowed some control over target polymer molecular weights in the step polymerization, but control was likely limited by the relatively poor polymer solubility in the dipolar aprotic solvents typically employed to promote SNAr reactions. One substitution pattern produces a steric “pocket” around the PMDI units, inducing a peculiar solubility trend in halogenated solvents; that is, greatly reduced solubility in CHCl3 relative to CH2Cl2 and C2H2Cl4. One example small‐molecule readily dissolves in CHCl3 at room temperature, then rapidly grows poorly soluble crystals revealed by single‐crystal XRD to contain CHCl3 molecules in the steric pockets. Finally, the recently demonstrated depolymerization of phthalonitrile‐based PAS's via ipso substitution with monothiolates as chain scission agents yields quantitative molecular weight reduction to monomeric species from the polymers reported here.
Atmospheric Pressure Plasma in Industrial Applications: Surface treatment of thermally sensitive polymers
Authors: Förster Frank
Published: May 2022

For several years now, atmospheric pressure plasma has been discussed as a future technology. It is a key technology with a long and successful past. For many decades, corona treatment has been an atmospheric pressure plasma application, well established within the extrusion and converting industry. Corona technology has been applied in industrial use since the 1950s, mostly within converting polymer films and to some degree paper, board, and metal foil. Corona treatment is used to improve the adhesion of printing inks, lacquers, adhesives, and coatings. From this strong base, atmospheric pressure plasma is growing into new applications. This paper introduces atmospheric pressure plasma basics and compares modern atmospheric pressure plasma technologies for grafting chemical functional groups on polymer surfaces.
Prediction of height using ulna length in African‐Caribbean children
Authors: Beydon Nicole , Leye Fallou , Bokov Plamen , Delclaux Christophe
Published: May 2022

Standing height is an essential anthropometric measurement in pediatrics. In children unable to stand upright, measurement of ulna to predict standing height is recommended, but height prediction equations based on the ulna have not been established in children of African ancestry. We hypothesized that such equations would result in lower predicted height compared to using equations derived from non‐African children. We measured prospectively standing height and both ulna in 358 African‐Caribbean children without bone deformity or muscle disease, referred to two pulmonary function test laboratories. Interobserver variability was low for standing height (n = 54) and ulna measurement (n = 51) (mean biases [95%CI]: −0.02 [−0.99; 0.95] and 0.05 [−0.91; 1.01] cm, respectively), as well as inter‐ulna variability (n = 352; mean bias 0.03 95%CI [−0.66; 0.73] cm). We used the mean value of 247 bilateral ulna measurements to calculate prediction equations using a generalized linear model including age, sex, ulna length, and geographic origin group, the latter showing no influence on the model. In the validation population of 107 children, the median difference [inter‐quartile range] between standing height and ulna‐predicted height was −0.4 [−2.7; 1.0] cm. Of 260 reliable baseline spirometry, there was a strong concordance between bronchial obstruction diagnosis established using standing height or ulna‐predicted height (kappa coefficient: 0.85 [0.77; 0.94]) with only 11 (4.3%) children misclassified. The ulna predicted height calculated from African‐Caribbean prediction equations resulted in a smaller height than the height calculated using equations derived from non‐African children.
Synthesis of paeonol ester derivatives and their insecticidal, nematicidal, and anti‐oomycete activities
Authors: Che Zhiping , Guo Xiaolong , Li Yuanhao , Zhang Song , Zhu Lina , He Jiaxuan , Sun Di , Guo Yihao , Liu Yibo , Wei Ruxue , Huang Xiaobo , Liu Shengming , Chen Genqiang , Tian Yuee
Published: May 2022

Background

Paeonol is extracted and isolated as a rich and sustainable natural bioresource from the root bark of Paeonia suffruticosa, the derivatives of which exhibit numerous biological activities. It is well known that ester compounds play a very important role in pest control, such as organophosphorus, carbamate and pyrethroid pesticides.

Results

To discover biorational natural product‐based pesticides, three series of (60) paeonol ester derivatives (7a–t, 8g,p, 9g,p, 10g–j,n–u, 11g,u, 12g,u, 13a–p, 14b,c, and 15b,c) were prepared by structural modification of paeonol, and their structures were well characterized by proton nuclear magnetic resonance (1H‐NMR), carbon‐13 nuclear magnetic resonance (13C‐NMR), high‐resolution mass spectrometry (HRMS), and melting point. Furthermore, we assessed the compounds as insecticidal, nematicidal, and anti‐oomycete agents against three serious agricultural pests, Mythimna separata, Heterodera glycines, and Phytophthora capsici. Among all tested compounds: (i) compound 8p showed more significant insecticidal activity than toosendanin, and the final mortality rates of 8p and toosendanin against M. separata (1 mg mL−1) were 70.4%, and 51.9%, respectively; (ii) compound 7a exhibited more promising nematicidal activity than paeonol, and the median lethal concentration (LC50) values of 7a and 1 against H. glycines were 15.47 and 50.80 mg L−1, respectively; (iii) compounds 7n and 13m displayed more significant anti‐oomycete activity compared to zoxamide against Phytophthora capsici, and the median effective concentration (EC50) values of 7n, 13m, and zoxamide were 23.72, 24.51, and 26.87 mg L−1, respectively; and the protective effect of the compounds against Phytophthora capsici in vivo further confirmed the effectiveness of the agents.

Conclusion

This study suggested that the introduction of a nitro at the C5 or C3 position of paeonol could improve its bioactivity against M. separata, H. glycines, and Phytophthora capsici. © 2022 Society of Chemical Industry.
iTRAQ‐based quantitative proteomic analysis in liver of Pomacea canaliculata induced by oleanolic acid stress
Authors: Yu Jiaqi , Cen Xiaofeng , Chen Guifeng , Tang Mingli , Mo Ling , Li Jingjing
Published: May 2022

Background

Triterpene acid is one of the typical active constituents of Eucalyptus bark, which is the main by‐product of the Eucalyptus wood industry. Our studies have demonstrated that triterpene acid stress could inhibit climbing and increase mortality in Pomacea canaliculata (Lamarck). However, limited attention has been paid to the proteomic responses of this snail under triterpene acid stress.

Result

Using iTRAQ‐based quantitative proteomics, we elucidated the regulatory mechanism in the livers of P. canaliculata held in chlorine‐free water and exposed to 100 mg L−1 oleanolic acid (OA) for 24 h. A total of 4308 proteins were identified, of which 274 were differentially expressed proteins (DEPs) including 168 (61.31%) differentially upregulated proteins and 106 (38.69%) differentially downregulated proteins. Bioinformatics analysis revealed that P. canaliculata responses to OA stress are mainly involved in glucose metabolism, energy synthesis, immune response, stress response, protein synthesis, and apoptosis. According to KEGG analysis, the 274 DEPs were mapped to 168 KEGG pathways and 10 KEGG pathways were significantly enriched (P < 0.05). Furthermore, qRT‐PCR was performed for histone H4, catalase, isocitrate dehydrogenase, superoxide dismutase, ferritin, lipase, and tropomyosin to validate the iTRAQ results.

Conclusion

Proteomic analysis suggested that OA stress led to the disruption of glucose metabolism, energy synthesis, and protein synthesis, and triggered a series of molecular pathways containing many key proteins involved in the immune process, thereby helping P. canaliculata resist OA stress. © 2022 Society of Chemical Industry.
Identification and functional analysis of a chemosensory protein from Bactrocera minax (Diptera: Tephritidae)
Authors: Cui Zhongyi , Liu Yipeng , Wang Guirong , Zhou Qiong
Published: May 2022

Background

Olfaction has an indispensable role in insect behavior, enabling location of suitable host plants and oviposition sites, finding mates and evasion of natural enemies. Chemosensory proteins (CSPs) function to screen external odorants and transport them to olfactory receptor neurons, thereby increasing the sensitivity of the olfactory system. At present, CSP genes have been identified in many insect species, but there are relatively few studies on the function of CSP, especially in Tephritidae.

Results

In this study, we sequenced and analyzed 12 transcriptomes of Bactrocera minax and identified five CSP genes. The results of polymerase chain reactions with reverse transcription showed that BminCSP3 was highly expressed only in antennae. Results from competitive binding experiments showed that BminCSP3 has good binding ability to citral compared with 23 other volatile organic compounds. The docking model with citral showed hydrogen bond formation with residues (ARG97); however, no hydrogen bonds were formed in the docking of five other ligands (furfuryl alcohol, linalool, cis‐3‐hexenyl acetate, (R)‐(+)‐limonene and (+)‐carvone). Electroantennogram (EAG) analyses revealed that citral was active in B. minax at the antennal level, and the EAG response value of female adults was significantly higher than that of male adults. Furthermore, the results of behavioral bioassays showed that females were significantly attracted to citral.

Conclusion

Our results suggest that BminCSP3 plays an important role in the recognition of citral by B. minax adults. © 2022 Society of Chemical Industry.
Inspecting the Thermoelectric Response and Mechanical Stability of Novel Cobalt‐Based Heusler Alloys: A DFT Insight
Authors: Sofi Shakeel Ahmad , Alshahrani Thamraa , Morsi Manal , Gupta Dinesh C.
Published: May 2022

The potential of Heusler materials to provide interesting aspects predominantly of vital physical properties along with typical variations has extended their prospects for thermoelectric applicability. Herein, highly precise and high‐throughput density functional theory (DFT) calculations along with Boltzmann transport simulation scheme are intensely applied to deliver the numerous physical properties of two Cobalt‐based Heusler materials. The geometric structural optimization of both these alloys suitably approves the cubic crystalline geometry at elevated temperatures. The electronic band profile validates the half‐metallic behavior. The fetched density of states and band occupation reflect the ferromagnetic half‐metallic character of the materials. The calculated elastic parameters reveal that the presented set of Heusler materials is mechanically stable holding ductile nature. These cobalt materials exhibit anisotropic performance for both longitudinal and transverse velocities, so these demonstrate directional‐dependent velocities. The utmost significant lattice part of thermal conductivity is accurately figured out by the help of Slack's equation. The current exploration demonstrates spin half metallicity as well as good value of transport parameters, which opens up a route typical for numerous research areas like thermoelectrics and spintronic applicability.
Camera trap distance sampling for terrestrial mammal population monitoring: lessons learnt from aUKcase study
Authors: Mason Samantha S. , Hill Russell A. , Whittingham Mark J. , Cokill Jim , Smith Graham C. , Stephens Philip A.
Published: May 2022

Accurate and precise density estimates are crucial for effective species management and conservation. However, efficient monitoring of mammal densities over large spatial and temporal scales is challenging. In the United Kingdom, published density estimates for many mammals, including species considered to be common, are imprecise. Camera trap distance sampling (CTDS) can estimate densities of multiple species at a time and has been used successfully in a small number of studies. However, CTDS has typically been used over relatively homogeneous landscapes, often over large time scales, making monitoring changes (by repeating surveys) difficult. In this study, we deployed camera traps at 109 sites across an area of 2725 km2of varied habitat in North‐East England, United Kingdom. The 4‐month survey generated 51 447 photos of wild mammal species. Data were sufficient for us to use CTDS to estimate the densities of eight mammal species across the whole‐survey area and within four specific habitats. Both survey‐wide and habitat‐specific density estimates largely fell within previously published density ranges and our estimates were amongst the most precise produced for these species to date. Lower precision for some species was typically due to animals being missed by the camera at certain distances, highlighting the need for careful consideration of practical and methodological decisions, such as how high to set cameras and where to left‐truncate data. Although CTDS is a promising methodology for determining densities of multiple species from one survey, species‐specific decisions are still required and these cannot always be generalized across species types and locations. Taking the United Kingdom as a case study, our study highlights the potential for CTDS to be used on a national scale, although the scale of the task suggests that it would need to be integrated with a citizen science approach.
Geomorphological development of aquatic mesohabitats in shore channels along longitudinal training dams
Authors: Flores Natasha Y. , Collas Frank P. L. , Leuven Rob S. E. W.
Published: May 2022

Longitudinal training dams (LTDs) are novel hydraulic engineering structures in the river Waal intended to facilitate intensive navigation and safe discharges in the main channel while providing sheltered habitats for aquatic biota in shore channels. Monitoring data collected using light detection and ranging, multibeam echosounder and aerial photography for the years during and after the construction of the LTDs were analysed in order to determine patterns of erosion and deposition, the retreat rate of steep eroding banks and shoreline length change through time. The LTD shore channels and two traditional groyne fields (references) were divided into nine mesohabitats based on physical attributes. Net erosion was estimated for eight out of the nine mesohabitats for the 2015–2020 period. Generally, there was a pattern of riverbed aggradation towards the LTDs and degradation or bank erosion towards the littoral zones of the LTD shore channels. This kind of continuous behaviour could be indicative of current or eminent channel and thus habitat stability. The bankline erosion in shore channels had mean retreat rates of 1.4–1.6 m/year. The shorelines were longer in sand‐dominated mesohabitats, which could be key for habitat heterogeneity. The LTD shore channels offered more complex relatively natural continuous littoral zones than the traditional groyne fields while maintaining the multifunctionality of the river. Thus, the development of sandy shorelines in the LTD shore channels should be encouraged through management in order to enhance biodiversity. Geomorphological monitoring of the shore channels should continue in the future in order to detect any long‐term changes in the sedimentary processes and ecological functions.
Effect of Nb, Ti, and W ion implantation on surface properties and cell compatibility of silicon carbide
Authors: Zhao Santuan , Li Guangda
Published: May 2022

Silicon carbide is considered as a bio‐inert semiconductor material; consequently, it has been proposed for potential applications in human body implantation. In this study, we study the effect of implanting different metal ions on the surface properties of silicon carbide single crystal. The valence states of the elements and the surface roughness of implanted SiC were studied using X‐ray photoelectron spectroscopy and atomic force microscope, respectively. Osteoblastic MG‐63 cells were utilized to characterize the cytocompatibility of ion implanted SiC. The results show that after Nb ion implantation on the SiC surface, it mainly exists in the form of Nb–C bond, Nb–O bond, and a small amount of metallic niobium. The titanium implanted on SiC primarily forms Ti‐C bond and Ti‐O bond. The tungsten implanted on SiC mostly presents as metallic tungsten and W–O bond. The roughness of silicon carbide single crystal is improved by ion implantation of all three metal ions. Ion implantation of titanium and niobium can improve the cell compatibility and hydrophilicity of silicon carbide, whereas ion implantation of tungsten reduces the cell compatibility and hydrophilicity of silicon carbide.
The impact of methodological choices when developing predictive models using urinary metabolite data
Authors: Krstic Nikolas , Multani Kevin , Wishart David S. , Blydt‐Hansen Tom , Cohen Freue Gabriela V.
Published: May 2022

The continuous evolution of metabolomics over the past two decades has stimulated the search for metabolic biomarkers of many diseases. Metabolomic data measured from urinary samples can provide rich information of the biological events triggered by organ rejection in pediatric kidney transplant recipients. With additional validation, metabolic markers can be used to build clinically useful diagnostic tools. However, there are many methodological steps ranging from data processing to modeling that can influence the performance of the resulting metabolomic classifiers. In this study we focus on the comparison of various classification methods that can handle the complex structure of metabolomic data, including regularized classifiers, partial least squares discriminant analysis, and nonlinear classification models. We also examine the effectiveness of a physiological normalization technique widely used in the clinical and biochemical literature but not extensively analyzed and compared in urine metabolomic studies. While the main objective of this work is to interrogate metabolomic data of pediatric kidney transplant recipients to improve the diagnosis of T cell‐mediated rejection (TCMR), we also analyze three independent datasets from other disease conditions to investigate the generalizability of our findings.
Bayesian model of disease progression in mucopolysaccaridosis IIIA
Authors: Marion Joe , Ruiz Juan , Saville Benjamin R.
Published: May 2022

Mucopolysaccaridosis IIIA (MPS IIIA) is a rare genetic disease that afflicts children and leads to neurocognitive degeneration. We develop a Bayesian disease progression model (DPM) of MPS IIIA that characterizes the pattern of cognitive growth and decline in this disease. The DPM is a repeated measures model that incorporates a nonlinear developmental trajectory and shape‐invariant random effects. This approach quantifies the pattern of cognitive development in MPS IIIA and addresses differences in biological age, length of follow‐up, and clinical outcomes across natural history subjects. The DPM can be used in clinical trials to estimate the percent slowing in disease progression for treatment relative to natural history. Simulations demonstrate that the DPM provides substantial improvements in power relative to alternative analyses.
Plasmonic Hydrogen Sensors
Authors: Ai Bin , Sun Yujing , Zhao Yiping
Published: May 2022

Hydrogen is regarded as the ultimate fuel and energy carrier with a high theoretical energy density and universality of sourcing. However, hydrogen is easy to leak and has a wide flammability range in air. For safely handling hydrogen, robust sensors are in high demand. Plasmonic hydrogen sensors (PHS) are attracting growing interest due to the advantages of high sensitivity, fast response speed, miniaturization, and high‐degree of integration, etc. In this review, the mechanism and recent development (mainly after the year 2015) of hydrogen sensors based on plasmonic nanostructures are presented. The working principle of PHS is introduced. The sensing properties and the effects of resonance mode, configuration, material, and structure of the plasmonic nanostructures on the sensing performances are discussed. The merit and demerit of different types of plasmonic nanostructures are summarized and potential development directions are proposed. The aim of this review is not only to clarify the current strategies for PHS, but also to give a comprehensive understanding of the working principle of PHS, which may inspire more ingenious designs and execution of plasmonics for advanced hydrogen sensors.
Ru/Rh Cation Doping and Oxygen‐Vacancy Engineering of FeOOH Nanoarrays@Ti3C2Tx MXene Heterojunction for Highly Efficient and Stable Electrocatalytic Oxygen Evolution
Authors: Zhang Bing , Shan Jiongwei , Wang Xinying , Hu Yanjie , Li Yunyong
Published: May 2022

Oxyhydroxides hold promise as highly‐efficient non‐noble electrocatalysts for the oxygen evolution reaction (OER), but their poor conductivity and structural instability greatly impede their progress. Herein, the authors develop a cation‐doping and oxygenvacancy engineering strategy to fabricate Ru/Rh‐doped FeOOH nanoarrays with abundant oxygen‐vacancies in situ grown on Ti3C2Tx MXene (Ru/Rh‐FeOOH@Ti3C2Tx) as highly‐efficient OER electrocatalysts. Benefiting from Ru/Rh‐cation regulation, oxygenvacancy engineering, and heterojunction synergy between MXene and modulated FeOOH, the optimized Rh/Ru‐FeOOH@Ti3C2Tx electrocatalysts exhibit excellent OER activities and remarkable stabilities with 100 h. Particularly, 3%Rh‐FeOOH@Ti3C2Tx electrocatalyst only needs a 223 mV overpotential at 10 mA cm–2 and 306 mV to reach 100 mA cm–2, which is superior to commercial IrO2 catalyst and most reported oxyhydroxide‐based electrocatalysts. Further, systematically theoretical caculation, kinetics, thermodynamics, and microstructural analysis verify that the integration of Ru/Rh‐cation doping and oxygen vacancy obviously enhances the intrinsic conductivity and lattice defects of FeOOH and expose more active sites, thereby decreasing the adsorption/desorption energy barrier and activation energy, and improving the specific activity and catalytic kinetics of electrocatalysts, whereas in situ hybridization with MXene strengthens the structural stability. This work clearly confirms that cationdoping and oxygen‐vacancy engineering offers a joint strategy for the electronic structure modulation and design of highly‐efficient inexpensive OER electrocatalysts.
Hydrogen‐Induced Nonradiative Recombination in All‐Inorganic CsPbI3 Perovskite Solar Cells
Authors: Liang Yuhang , Cui Xiangyuan , Li Feng , Stampfl Catherine , Ringer Simon P. , Huang Jun , Zheng Rongkun
Published: May 2022

All‐inorganic halide perovskites have thus far exhibited better thermal stability but lower power conversion efficiency (PCE), compared with their organic–inorganic hybrid counterparts. The experimentally observed nonradiative recombination loss is commonly attributed to the prevalence of native deep defects, yet the exact microscopic origin remains elusive. Based on density functional theory calculations, it is demonstrated that hydrogen impurities may incorporate in the prototypical all‐inorganic perovskite CsPbI3 with a high density and serve as a new source of efficient nonradiative recombination centers. The resultant nonradiative efficiency loss can be significantly higher than those induced by native deep defects, namely interstitials and antisites , contributing to the subdued performance of the CsPbI3‐based devices. Furthermore, it is proposed that the iodine‐moderate growth conditions can effectively reduce the detrimental hydrogen ions. These results highlight the impact of unintentionally incorporated impurities and offer insights into the optimal synthetic route and practical operating protocols in the field of all‐inorganic perovskite solar cells.
In vitro Fecal Fermentation of Indigestible Residues from Heat‐Moisture Treated Maize Meal and Maize Starch with Stearic Acid
Authors: Asare Isaac Kwabena , Palaniappan Ayyappan , Jungles Thaisa Moro Cantu , Hamaker Bruce R. , Emmambux Mohammad Naushad
Published: May 2022

The effect of resistant starch type 5 (amylose‐lipid complex, ALC) from maize starch and maize meal on short‐chain fatty acids (SCFAs) production by in‐vitro human faecal fermentation are determined. The maize starch and meal are modified using heat‐moisture treatment (HMT), stearic acid (SA), and combination treatment (SA+HMT) and digested to obtain indigestible residues. The results showed the production of SCFAs (acetate, propionate, and butyrate) from indigestible residues containing amylose‐lipid complexes during the process of in vitro faecal fermentation. The concentrations of three SCFAs are lower than fructooligosaccharides (control) in most cases. In regard to the indigestible residues, the combination treatment has a significantly higher concentration of the total SCFAs than the individual SCFAs produced by different treatments and the control. Reduction in pH with increased gas production is observed. Acetate and butyrate levels are higher than propionate values of RS 5 from maize starch and meal. A positive correlation between the gas produced and SCFAs (acetate, propionate, and butyrate) is noticed, however it resulted in negative correlation with pH. In conclusion, indigestible residues containing ALC (or RS 5) produced SCFAs during in vitro faecal fermentation, suggesting that ALC are suitable substrates for fermentation in the lower gut.
Fabrication and Evaluation of Indoxacarb Nano‐Formulation Based on Corn Starch Esters with Systemic Translocation
Authors: Huang Yanmin , Chen Yong , Xiong Qipeng , Hu Yanhong , Li Xiangying , Gan Chunfang , Zhang Yuanfei , Cui Jianguo
Published: May 2022

In this study, through high‐speed emulsification and ultrasonic dispersion technology, indoxacarb‐fatty acid starch ester nano‐formulations (IN‐SE) are prepared using fatty acid corn starch esters as a matrix to encapsulate nonsystemic pesticide indoxacarb (IN). The structure and morphology of the nano‐formulations are characterized by IR, UV, particle size, transmission electron microscopy, and leaf contact angle. The nano‐formulation's sustained release, antiphotolysis capabilities, and systemic translocation are further investigated, and the results show that IN‐SE formulations have better release‐controlled and UV‐shielding capabilities. At the same time, the IN‐SE nano‐formulation is endowed with systemic translocation in plants due to the mediating of starch ester. Finally, using Spodoptera litura as the test target, the toxicity and insecticidal duration of the nano‐formulation are evaluated in greenhouse. The results showed that after 7 days of application, the lethality rate of IN‐SE to S. litura is 9.2% higher than that of ordinary suspension concentrate (IN‐SC).
Shear behavior of steel keyed joints in precast concrete segmental bridges under direct shear loading
Authors: Zou Yu , Xu Dong
Published: May 2022

Eight groups of “Z” joint specimens were designed for conducting direct shear tests on steel keyed joints. The shape, size, number and joint type of steel keys were taken as experimental parameters, and the cracking load, ultimate load, residual load, and the relationship between vertical loading force and vertical relative displacement of specimens were investigated. The results reveal that the joints relied on the mechanical occlusion between the steel keys and concrete to transmit the shear forces, the load–displacement curve of the joints had a long development course, and the joints could bear large relative displacement. The bearing capacity of steel shear keyed joints increased with the increase in diameter and material strength of the tenon. The ultimate bearing capacity of the epoxied joints with 1 and 2 steel keys were respectively 151.39%, and 69.68% higher than dry joints. Meanwhile, the epoxied joints were found to become brittle and fail in more sudden manner. After direct shear failure, the shear resistance of epoxied joints was completely provided by the steel shear key. The elastic stiffness and bearing capacity of the epoxied joints was not controlled by the number of the steel shear keys, while the dry joints were sensitive with the number of keys. By adding 1 or 2 steel shear keys to a flat joint, the ultimate bearing capacity could be increased by 3.81 and 6.06 times for dry joints, and 43% and 33% for epoxied joints, respectively.
N‐Heterocyclic Carbene (NHC)‐Catalyzed Transformations Involving Azolium Enolates
Authors: Mondal Santigopal , Ghosh Arghya , Biju Akkattu T.
Published: May 2022

The recent advances in the N‐heterocyclic carbene (NHC)‐organocatalyzed generation of azolium enolate intermediates and their subsequent interception with electrophiles are highlighted. The NHC‐bound azolium intermediates are generated by the addition of NHCs to suitably substituted aldehydes, acid derivatives or ketenes. A broad range of coupling partners can intercept the azolium enolates to form [2+n] cycloadducts (n=2,3,4) and various α‐functionalized compounds. The enantioselective synthesis of the target compounds are achieved with the use of chiral NHCs. Herein, we summarized the development that occurred in this subclass of NHC catalysis.
New phase space formulations and quantum dynamics approaches
Authors: He Xin , Wu Baihua , Shang Youhao , Li Bingqi , Cheng Xiangsong , Liu Jian
Published: May 2022

We report recent progress on the phase space formulation of quantum mechanics with coordinate‐momentum variables, focusing more on new theory of (weighted) constraint coordinate‐momentum phase space for discrete‐variable quantum systems. This leads to a general coordinate‐momentum phase space formulation of composite quantum systems, where conventional representations on infinite phase space are employed for continuous variables. It is convenient to utilize (weighted) constraint coordinate‐momentum phase space for representing the quantum state and describing nonclassical features. Various numerical tests demonstrate that new trajectory‐based quantum dynamics approaches derived from the (weighted) constraint phase space representation are useful and practical for describing dynamical processes of composite quantum systems in the gas phase as well as in the condensed phase.

This article is categorized under:

Molecular and Statistical Mechanics > Molecular Dynamics and Monte‐Carlo Methods

Theoretical and Physical Chemistry > Reaction Dynamics and Kinetics

Theoretical and Physical Chemistry > Statistical Mechanics
Recovery of nickel from electroless nickel plating wastewater based on the synergy of electrocatalytic oxidation and electrodeposition technology
Authors: Jiang Tao , Guan Wei , Fu Min
Published: May 2022

Nickel exists primarily as a stable complex in electroless nickel plating wastewater, and the Ni recovery from it cannot be achieved solely through electrodeposition. As the electrocatalytic oxidation has excellent oxidation potential to break down the complex, an efficient and stable electrochemical system using the synergy of electrocatalytic oxidation and electrochemical deposition technology was developed for the recovery of nickel from electroless nickel plating wastewater. In the present study, the effects of initial pH, current density, and initial nickel ion concentration on the treatment performance of the electrochemical system was investigated. The highest Ni recovery (94.84%) and total organic carbon removal (63.94%) were achieved at a current density of 83.3 mA/cm2, initial pH of 3.0, and initial Ni concentration of 0.01 M. At the same time, the recovered nickel product was confirmed by scanning electron microscopy, energy dispersive X‐ray, X‐ray powder diffraction, and X‐ray photoelectron spectroscopy. Furthermore, the electrochemical system displayed good stability and economic benefits, thereby suggesting its excellent application potential for the treatment of electroless nickel plating wastewater.

Practitioner Points

An efficient and stable electrochemical system was developed for the recovery of nickel from electroless nickel plating wastewater.

In an acidic medium, the nickel recovery rate and TOC removal ratio were 94.84% and 63.94%, respectively.

The system displayed good stability, thereby suggesting its excellent application potential for the treatment of nickel plating wastewater.
Low‐valent Mg(I) complexes by ball‐milling
Authors: Jędrzkiewicz Dawid , Langer Jens , Harder Sjoerd
Published: May 2022

Mechanochemistry has great potential in the syntheses of low‐valent Mg(I) complexes. Magnesium iodide precursors with three different β‐diketiminate (BDI) ligands of varying bulk have been reduced with K/KI (or Na/NaCl) using the ball‐mill. Depending on the steric bulk of the ligand, the raw products are intensely colored powders, indicating the presence of (BDI)Mg⋅ radicals. Extraction with pentane gave (BDI)Mg−Mg(BDI) in excellent yields. Reaction of the powder with H2 prior to extraction gave [(BDI)MgH]2. Extraction with benzene gave (BDI)Mg(C6H6)Mg(BDI) with a dearomatized puckered benzene dianion. Ball‐milling in the presence of triphenylbenzene gave a dinuclear Mg complex with a Ph3C6H3‐dianion which slowly decomposed to (BDI)Mg−Mg(BDI) and Ph3C6H3.
Autonomous Wireless Sensors via Graded Elastic Metamaterials
Authors: De Ponti Jacopo Maria
Published: May 2022

Amongst the 17th Sustainable and Development Goals (SDGs), it’s crucial to ensure access to sustainable and modern energy, as emphasized by the Goal 7. This is not only relevant for large utilities, but also for tiny devices such as wireless sensors that can ubiquitously found in our information driven society. Recent advances in low-power consumption circuitry have enabled ultrasmall power integrated circuits, which can run with extremely low amount of power. For these reasons, energy harvesting can be used to self-power small electronic devices, using ambient waste energy from vibrations. Recent metamaterial technologies allow to dramatically increase the energy available for harvesting, and the operational bandwidth. A large-scale application of metamaterial-based energy harvesting could increase the sustainability in the global energy mix as well as provide improvement in energy efficiency.

Graphical Abstract
Displacement-Based Design of Geosynthetic-Reinforced Pile-Supported Embankments to Increase Sustainability
Authors: Mangraviti Viviana
Published: May 2022

Although the construction of concrete piles has a relevant environmental footprint, they are commonly used to reduce settlements of embankments on soft soil strata. A more sustainable choice to further reduce settlements (and, consequently, the number of piles) is to place geosynthetics below the embankment. However, existing design methods cannot calculate settlements at the embankment top and cannot be used to optimise the number of piles in a displacement-based design. In this note, an innovative model for assessing settlements at the top of Geosynthetic-Reinforced and Pile-Supported embankments induced by the embankment construction process is presented and validated against finite difference numerical analyses. The model is used to optimise the design of both piles and geosynthetic, and applied to a practical example, where the mass of CO2saved by designing geosynthetics to reduce the pile number.

Graphical Abstract
Quantum thermodynamics of an M2-M5 brane system
Authors: Pourhassan Behnam , Aounallah Houcine , Faizal Mir , Upadhyay Sudhaker , Soroushfar Saheb , Aitenov Yermek O. , Wani Salman Sajad
Published: May 2022

Abstract

We will investigate a system of M2-M5 branes as a black M2-M5 bound state. The behavior of this system will be investigated at short distances. At such scales, we will have to incorporate quantum gravitational corrections to the supergravity solutions. We will study the non-equilibrium quantum thermodynamics of this black M2-M5 bound state. The quantum work for this solution will be obtained using the Jarzynski equality. We will also study the corrections to the thermodynamic stability of this system from quantum gravitational corrections. We will use the concept of a novel quantum mass to analyze the quantum gravitational corrections to the information geometry of this system. This will be done using effective quantum metrics for this system.
Exploring the orthosymplectic zoo
Authors: Akhond Mohammad , Carta Federico , Dwivedi Siddharth , Hayashi Hirotaka , Kim Sung-Soo , Yagi Futoshi
Published: May 2022

Abstract

We study the Higgs branch of the SCFT limit of 5d SO(6) and SO(8) gauge theory with hypermultiplets in the spinor and vector representations. In the case of SO(6) gauge theories, we contrast the magnetic quivers obtained with those of SU(4) gauge theory with hypermultiplets in the fundamental and second rank antisymmetric representations. Since SU(4) gauge theories admit several different values of the Chern-Simons level, we make some observations about how to distinguish those theories from the brane webs of the SO(6) theories. In the case of SO(8) gauge theories, we use SO(8) triality to propose (naively) inequivalent magnetic quivers, which will turn out to have the same moduli spaces of vacua, at least locally around their most singular loci. We encounter several interesting new phenomena occurring in the magnetic quivers, such as hypermultiplets between neighbouring symplectic gauge nodes and matter in two-index representations of unitary nodes. We also give a prescription for computing the local Coulomb branch Hilbert series for quivers involving bad USp(2) gauge nodes.
Matching next-to-leading-order and high-energy-resummed calculations of heavy-quarkonium-hadroproduction cross sections
Authors: Lansberg Jean-Philippe , Nefedov Maxim , Ozcelik Melih A.
Published: May 2022

Abstract

The energy dependence of the total hadroproduction cross section of pseudoscalar quarkonia is computed via matching Next-to-Leading Order (NLO) Collinear-Factorisation (CF) results with resummed higher-order corrections, proportional to $$ {\alpha}_s^n{\ln}^{n-1} $$

α
s
n

ln

n
−
1

(1/z), to the CF hard-scattering coefficient, where z = M2/$$ \hat{s} $$

s
̂

with M and $$ \hat{s} $$

s
̂

being the quarkonium mass and the partonic center-of-mass energy squared. The resummation is performed using High-Energy Factorisation (HEF) in the Doubly-Logarithmic (DL) approximation, which is a subset of the leading logarithmic ln(1/z) approximation. Doing so, one remains strictly consistent with the NLO and NNLO DGLAP evolution of the PDFs. By improving the treatment of the small-z asymptotics of the CF coefficient function, the resummation cures the unphysical results of the NLO CF calculation. The matching is directly performed in the z-space and, for the first time, by using the Inverse-Error Weighting (InEW) matching procedure. As a by-product of the calculation, the NNLO term of the CF hard-scattering coefficient proportional to $$ {\alpha}_s^2 $$

α
s
2

ln(1/z) is predicted from HEF.
Tasting flavoured Majorana dark matter
Authors: Acaroğlu Harun , Blanke Monika
Published: May 2022

Abstract

We study a simplified model of flavoured Majorana dark matter in the Dark Minimal Flavour Violation framework. The model extends the Standard Model by a dark matter flavour triplet and a scalar mediator, through which the new dark fermions couple to right-handed up-type quarks. This interaction is governed by a new coupling matrix λ which is assumed to constitute the only new source of flavour and CP violation. We analyse the parameter space of this model by using constraints from collider searches, D0−$$ \overline{D} $$

D
¯

0 mixing, cosmology and direct dark matter searches. Throughout our study, we point out crucial differences between the Majorana and Dirac dark matter cases. After performing a combined analysis within the context of all the experimental constraints mentioned above, we analyse which flavour for the dark matter particle is preferred by experimental data. We further investigate if this model is capable of explaining the large measured value of the direct CP asymmetry $$ \Delta {A}_{\mathrm{CP}}^{\mathrm{dir}} $$
∆

A
CP
dir

in charm decays. We find that significant enhancements with respect to the Standard Model expectation are compatible with all constraints, and even the central value of the measurement can be reached. We also advertise the flavour-violating final state with two same-sign top quarks produced in association with missing transverse energy as a smoking-gun signature for flavoured Majorana dark matter at the LHC.
Scalar field couplings to quadratic curvature and decay into gravitons
Authors: Ema Yohei , Mukaida Kyohei , Nakayama Kazunori
Published: May 2022

Abstract

Any field, even if it lives in a completely hidden sector, interacts with the visible sector at least via the gravitational interaction. In this paper, we show that a scalar field in such a hidden sector generically couples to the quadratic curvature via dimension five operators, i.e., ϕR2, ϕRμνRμν, ϕRμνρσRμνρσ, ϕRμνρσ$$ {\overset{\sim }{R}}^{\mu \nu \rho \sigma} $$

R
~

μνρσ

, because they can emerge if there exist particles heavier than it. We derive these scalar couplings to the quadratic curvature by integrating out heavy particles in a systematic manner. Such couplings are of phenomenological interest since some of them induce the scalar decay into the graviton pair. We point out that the decay of a scalar field can produce a substantial amount of the stochastic cosmic graviton background at high frequency since the suppression scale of these operators is given by the mass of heavy particles not by the Planck scale. The resultant graviton spectrum is computed in some concrete models.
Solar active-sterile neutrino conversion with atomic effects at dark matter direct detection experiments
Authors: Ge Shao-Feng , Pasquini Pedro , Sheng Jie
Published: May 2022

Abstract

The recent XENON1T excess can be explained by the solar active-sterile neutrino conversion with bound electrons via light mediator. Nevertheless, the atomic effects are usually omitted in the solar neutrino explanations. We systematically establish a second quantization formalism for both bound and ionized electrons to account for the atomic effects. This formalism is of great generality to incorporate various interactions for both neutrino and dark matter scatterings. Our calculation shows that the change in the cross section due to atomic effects can have important impact on the differential cross section. It is necessary to include atomic effects in the low-energy electron recoil signal at dark matter direct detection experiments even for energetic solar neutrinos. With the best-fit values to the XENON1T data, we also project the event rate at PandaX-4T, XENONnT, and LZ experiments.
Periostin in lymph node pre-metastatic niches governs lymphatic endothelial cell functions and metastatic colonization
Authors: Gillot Lionel , Lebeau Alizée , Baudin Louis , Pottier Charles , Louis Thomas , Durré Tania , Longuespée Rémi , Mazzucchelli Gabriel , Nizet Christophe , Blacher Silvia , Kridelka Frédéric , Noël Agnès
Published: May 2022

Although lymph node (LN) metastasis is an important prognostic parameter in cervical cancer, the tissue remodeling at a pre-metastatic state is poorly documented in LNs. We here identified periostin (POSTN) as a component of non-metastatic LNs by applying proteomic analyses and computerized image quantifications on LNs of patients with cervical cancer. We provide evidence for remarkable modifications of POSTN and lymphatic vessel distributions and densities in non-metastatic sentinel and metastatic human LNs, when compared to distant non-metastatic LNs. POSTN deposition at a pre-metastatic stage was demonstrated in a pre-clinical murine model (the ear sponge assay). Its expression by fibroblastic LN cells was assessed by in situ hybridization and in vitro cultures. In vitro, POSTN promoted lymphatic endothelial cell functions and tumor cell proliferation. Accordingly, the in vivo injection of recombinant POSTN together with VEGF-C boosted the lymphangiogenic response, while the metastatic potential of tumor cells was drastically reduced using a POSTN blocking antibody. This translational study also supports the existence of an unprecedented dialog “in cascade”, between the primary tumor and the first pelvic nodal relay in early cervical cancer, and subsequently from pelvic LN to para-aortic LNs in locally advanced cervical cancers. Collectively, this work highlights the association of POSTN deposition with lymphangiogenesis in LNs, and provides evidence for a key contribution of POSTN in promoting VEGF-C driven lymphangiogenesis and the seeding of metastatic cells.
Cell wall channels of Rhodococcus species: identification and characterization of the cell wall channels of Rhodococcus corynebacteroides and Rhodococcus ruber
Authors: Piselli Claudio , Benier Lorraine , Koy Cornelia , Glocker Michael O. , Benz Roland
Published: May 2022

The cell wall of Rhodococcus corynebacteroides formerly known as Nocardia corynebacteroides contains cell wall channels that are responsible for the cell wall permeability of this bacterium. Based on partial sequencing of the polypeptide subunits and a BLAST search, we identified one polypeptide of R. corynebacteroides (PorARc) and two polypeptides (PorARr and PorBRr) from the closely related bacterium Rhodococcus ruber. The corresponding genes, porARc (606 bp), porARr (702 bp), and porBRr (540 bp) are constituents of the known genome of R. corynebacteroides DSM-20151 and R. ruber DSM-43338, respectively. porARr and porBRr of R. ruber are possibly forming a common operon coding for the polypeptide subunits of the cell wall channel. The genes coding for PorARc and for PorARr and PorBRr without signal peptide were separately expressed in the porin-deficient Escherichia coli BL21DE3Omp8 strain and the proteins were purified to homogeneity. All proteins were checked for channel formation in lipid bilayers. PorARc formed channels with characteristics that were very similar to those of a previous study. The proteins PorARr and PorBRr expressed in E. coli could alone create channels in lipid bilayer membranes, despite the possibility that the two corresponding genes form a porin operon and that both subunits possibly form the cell wall channels in vivo. Based on amino acid sequence comparison of a variety of proteins forming cell wall channels in bacteria of the suborder Corynebacterineae, it seems very likely that PorARc, PorARr, and PorBRr are members of a huge family of proteins (PF09203) that form MspA-like cell wall channels.
Observed Frequent Occurrences of Marine Heatwaves in Most Ocean Regions during the Last Two Decades
Authors: Zhang Xiaojuan , Zheng Fei , Zhu Jiang , Chen Xingrong
Published: May 2022

Marine heatwaves (MHWs) are prolonged high-temperature extreme events in the ocean that can be devastating to marine life and seriously impact climate systems and economies. This paper describes the accessibility, content, characteristics, and potential applications of an MHW dataset to facilitate its use in scientific research. Daily intensities of global MHWs from 1982 to 2020 were analyzed using gridded SST data sourced from the National Oceanic and Atmospheric Administration (NOAA) Optimum Interpolation (OI) SST V2 high-resolution (0.25°) dataset. The analysis shows a linear increase in the frequency of MHWs in most ocean regions of the world as well as significant interdecadal changes. This data product can be used as a basic dataset to study the seasonal to decadal changes in extreme ocean events and explore the effects of global warming on the surface layers of oceans during the last 40 years.