bluuebunny/crossref_metadata_2025 huggingface dataset:
Dynamic vs. Stationary Analysis of Electrochemical Carbon Dioxide Reduction: Profound Differences in Local States
Authors: Dorner Inga , Röse Philipp , Krewer Ulrike
Published: November 2023

Electrochemical CO2 reduction is crucial for mitigating emissions by converting them into valuable chemicals. Stationary methods suffer from drawbacks like gas bubble distortion and long measurement times. However, dynamic cyclovoltammetry in rotating disc electrode setups is employed to infer performance. This study uncovers limitations when applying this approach to CO2 reduction in aqueous electrolyte. Here, we present a model‐based analysis considering electrochemical reactions, species and charge transport, and chemical carbonation. Experimental and simulated potential cycles demonstrate scan rate dependence, significantly deviating from stationary curves at low rotation rates (50 rpm). Such low rotation rates mimic real diffusion layer thicknesses in practical cell systems, thus a transport impact can be expected also on cell level. This behavior arises from slow transport and carbonation, causing time‐dependent CO2 depletion and electrolyte buffering. Dynamic investigation reveals strong species transport effects. Furthermore, dynamic operation enhances Faradaic efficiency due to a shift in the carbonate reaction system, favoring electrochemical CO2 consumption over chemical CO2 consumption. By clarifying dynamic vs. stationary operation, this research contributes to understanding electrochemical CO2 reduction processes, how to determine transport limitations via dynamic measurements, and provides guidelines for more accurate performance assessment.
Influence of Crystallographic Structure and Metal Vacancies on the Oxygen Evolution Reaction Performance of Ni‐based Layered Hydroxides**
Authors: Sanchis‐Gual Roger , Jaramillo‐Hernández Camilo , Hunt Diego , Seijas‐Da Silva Álvaro , Mizrahi Martín , Marini Carlo , Oestreicher Víctor , Abellán Gonzalo
Published: November 2023

Nickel‐based layered hydroxides (LHs) are a family of efficient electrocatalysts for the alkaline oxygen evolution reaction (OER). Nevertheless, fundamental aspects such as the influence of the crystalline structure and the role of lattice distortion of the catalytic sites remain poorly understood and typically muddled. Herein, we carried out a comprehensive investigation on ɑ‐LH, β‐LH and layered double hydroxide (LDH) phases by means of structural, spectroscopical, in‐silico and electrochemical studies, which suggest the key aspect exerted by Ni‐vacancies in the ɑ‐LH structure. Density functional theory (DFT) calculations and X‐ray absorption spectroscopy (XAS) confirm that the presence of Ni‐vacancies produces acute distortions of the electroactive Ni sites (reflected as the shortening of the Ni−O distances and changes in the O−Ni−O angles), triggering the appearance of Ni localised electronic states on the Fermi level, reducing the Egap, and consequently, increasing the reactivity of the electroactive sites in the ɑ‐LH structure. Furthermore, post‐mortem Raman and XAS measurements unveil its transformation into a highly reactive oxyhydroxide‐like phase that remains stable under ambient conditions. Hence, this work pinpoints the critical role of the crystalline structure as well as the electronic properties of LH structures on their inherent electrochemical reactivity towards OER catalysis. We envision Ni‐based ɑ‐LH as a perfect platform for hosting trivalent cations, closing the gap toward the next generation of benchmark efficient earth‐abundant electrocatalysts.
Multifunctional UV‐NIR Dual Light‐Responsive Soft Actuators from a Main‐Chain Azobenzene Semi‐Crystalline Poly(ester‐amide) Doped with Polydopamine Nanoparticles
Authors: Ma Shengkui , Zhou Yan , Wang Lei , Zhang Huiqi
Published: November 2023

The development of soft photoactuators with multifunctionality and improved performance is highly important for their broad applications. Herein, we report on a facile and efficient strategy for fabricating such photoactuators with UV‐NIR dual light‐responsivity, room‐temperature 3D shape reprogrammability and reprocessability, and photothermal healability by doping polydopamine (PDA) nanoparticles into a main‐chain azobenzene semi‐crystalline poly(ester‐amide) (PEA). The PEA/PDA nanoparticle composite was readily processed into free‐standing films with enhanced mechanical and photomechanical properties compared with the blank PEA films. Its physically crosslinked uniaxially oriented films showed rapid and highly reversible photochemically induced bending/unbending under the UV/visible light irradiation at room temperature in both the air atmosphere and water. When exposed to the NIR light, they (and their bilayer films formed with a polyimide film) exhibited photothermally induced bending even at a temperature much lower than their crystalline‐to‐isotropic phase transition temperature based on a unique mechanism (involving photothermally induced polymer chain relaxation due to the disruption of their hydrogen bonds). The room‐temperature 3D shape reprogrammability and reprocessability and photothermal healability of the composite polymer films were also demonstrated. Such multifunctional dual light‐responsive photoactuators with well‐balanced mechanical robustness, actuation stability, 3D shape reprogrammability/reprocessability and photothermal healability hold much promise in various photoactuating applications.
Immobilizing Bimetallic RuCo Nanoalloys on Few‐Layered MXene as a Robust Bifunctional Electrocatalyst for Overall Water Splitting
Authors: Yu Xu , Lin Longjie , Pei Chengang , Ji Shenjing , Sun Yuanyuan , Wang Yang , Kyu Kim Jung , Seok Park Ho , Pang Huan
Published: November 2023

Doping Co atoms into Ru lattices can tune the electronic structure of active sites, and the conductive MXene can adjust the electrical conductivity of catalysts, which are both favorable for improving the electrocatalytic activity of the catalyst for water splitting. Here, ruthenium‐cobalt bimetallic nanoalloys coupled with exfoliated Ti3C2Tx MXene (RuCo−Ti3C2Tx) have been constructed by ice‐templated and thermal activation. Due to the strong interaction between the RuCo nanoalloys and conductive MXene, RuCo−Ti3C2Tx not only exhibits an excellent hydrogen evolution reaction (HER) performance with a low overpotential and Tafel slope (60 mV, 34.8 mV dec−1 in 0.5 M H2SO4 and 52 mV, 38.7 mV dec−1 in 1 M KOH), but also good oxygen evolution reaction (OER) performance in an alkaline electrolyte (266 mV, 111.1 mV dec−1 in 1 M KOH). The assembled RuCo−Ti3C2Tx||RuCo−Ti3C2Tx electrolyzer requires a lower potential (1.56 V) than does the Pt/C||RuO2 electrolyzer at 10 mA cm−2. A boosted catalytic HER activity from immobilizing the RuCo nanoalloys on MXene was unveiled by density functional theory calculations. This study provides a feasible and efficient strategy for developing MXene‐based catalysts for overall water splitting.
From an Isolable Bismolyl Anion to an Yttrium–Bismolyl Complex with μ‐Bridging Bismuth(I) Centers and Polar Covalent Y‐Bi Bonds
Authors: Pugliese Elizabeth R. , Benner Florian , Demir Selvan
Published: November 2023

Invited for the cover of this issue is the group of Selvan Demir at the Michigan State University. The cover art depicts the helicopter landing of the first crystallographically characterized bismolyl anion potassium salt in a desert oasis landscape with pyramids of elemental bismuth. Read the full text of the article at 10.1002/chem.202302687.
Integrating Micro Process Chemistry into an NMR Spectrometer
Authors: Schulte-Hermann Julia , Yang Jing , Hurtado Rivera Andrea C. , Korvink Jan G. , MacKinnon Neil , Brandner Jürgen J.
Published: November 2023

Miniaturization has proven to be a compelling strategy in many research areas and continuous progress in micro fabrication has contributed to its growing popularity. These advances offer opportunities in analytical characterization technologies. Nuclear magnetic resonance is one such characterization method that has greatly benefited from miniaturization. Many research opportunities remain to be explored, leveraging the advantages of miniaturization in NMR. Here, the benefits of NMR‐miniaturization in the fields of micro process engineering, gas‐based hyperpolarization, and small‐scale bioreactors are reviewed. These applications are discussed in the context of modern micro fabrication approaches and materials, highlighting the most compatible with NMR applications.
Ammonia Synthesis over Fe‐Supported Catalysts Mediated by Face‐Sharing Nitrogen Sites in BaTiO3−xNy Oxynitride
Authors: Miyazaki Masayoshi , Ikejima Keisuke , Ogasawara Kiya , Kitano Masaaki , Hosono Hideo
Published: November 2023

Invited for this Issue's cover is the group of Professor Hideo Hosono at Tokyo Institute of Technology. The Cover image explores the question which activation dominates N2 activation for ammonia synthesis. The Research Article itself is available at 10.1002/cssc.202300551.
Cytomorphologic and immunocytochemical characterization of pediatric pleuropulmonary blastoma with a comprehensive review of the literature
Authors: Gupta Parikshaa , Chugh Sanjoli , Gupta Nalini , Gupta Kirti , Sodhi Kushaljit Singh , Kakkar Nandita , Srinivasan Radhika , Rohilla Manish , Kundu Reetu , Trehan Amita , Bansal Deepak , Peters Nitin James
Published: November 2023

Introduction

Pleuropulmonary blastoma (PPB) is a rare, aggressive, primary intrathoracic malignancy typically seen in infancy and early childhood. Accurate distinction from congenital cystic lung lesions is crucial due to significant prognostic and therapeutic differences. Cytologic features have rarely been described. Establishing a cytodiagnosis is challenging owing to its rarity, lack of awareness, and multiple morphologic mimics.

Materials and Methods

This was a retrospective study conducted over 8 years. The histopathology and cytopathology databases were searched for all pediatric PPB cases. The corresponding cytologic samples were reviewed to identify characteristic features that can help distinguish PPB from its mimics.

Results

There was a total of six cases of pediatric PPB reported during the study period. Of these, four (66.7%) presented as intrathoracic, and two (33.3%) as pleural‐based masses. Cytology smears showed discretely scattered and perivascular arrangements of round‐oval tumor cells with background eosinophilic stromal material. The tumor cells were mildly pleomorphic (n = 3) with round nuclei, fine chromatin, inconspicuous nucleoli, and scanty cytoplasm; however, three cases showed marked anaplasia, and one each showed necrosis and rhabdoid differentiation. On immunocytochemistry (4/6), these were positive for vimentin and desmin and negative for WT1, chromogranin, SALL4, cytokeratin, CD45, and CD99. FISH (1/6) did not show N‐Myc amplification.

Conclusions

Knowledge of the characteristic cytomorphological and immunocytochemical features of PPB is vital to establish a prompt and accurate cytodiagnosis with appropriate clinicoradiologic correlation.
Going deeper into eating and body image pathology in males: Prevalence of muscle dysmorphia and eating disorders in a university representative sample
Authors: Rica R. , Sepúlveda A. R.
Published: November 2023

Disorders associated with body dissatisfaction such eating disorders (ED) and muscle dysmorphia (MD) in males are understudied and surrounded by controversy regarding their nosological aspects. The current study examined the prevalence rates of clinical cases of ED and MD through a two‐phase study with gold standard clinical interview in a representative sample of 850 Spanish undergraduate men, of whom 141 were interviewed. Levels of body dissatisfaction, compulsive exercise, anxious‐depressive symptoms and the amount of physical activity were also explored. A prevalence rate for ED of 1.4% and 1.3% for MD was found. No differences were observed between the clinical groups on scales related to body image, supporting the current perspective that MD as well as ED and Body Dysmorphic Disorder could be clustered in a new spectrum of body image disorders, where the behaviours performed to achieve body change could range from restriction or muscularity‐oriented eating alterations to pathological exercise or cosmetic surgery. The usefulness of the cut‐off points of the screening questionnaires in MD and ED in males are discussed.
Statistically derived morphological signatures of large river channels extracted from topo‐bathymetric LiDAR data
Authors: Andréault Alex , Rodrigues Stephane , Gaudichet Corentin , Wintenberger Coraline Lise
Published: November 2023

With the development of LiDAR technology and the availability of topo‐bathymetric data of high quality, new methods are emerging to describe and understand more accurately fluvial geomorphology. We explore the capacities of probability density functions (PDFs) of detrended dimensionless elevations extracted from digital elevation models (DEMs) to document channels morphology and configuration. These DEMs were obtained from a topo‐bathymetric LiDAR survey of 450 km performed on the middle and lower reaches of the largest river of France: the Loire River. The objective is to propose a thorough and complete method for PDF analysis in order to assess the vertical structuration of river reaches presenting various fluvial patterns. The analysis was conducted on the PDFs of active channel belt of four sites selected for the diversity of their morphological configurations (anabranching, braided, channelized and meandering). Results showed that PDFs appear to be specific of a reach and that they are useful for describing its vertical structure. The simplification with Gaussian mixture model (GMM) is effective in slicing PDF and the resulting Gaussians components are related to morphological units (MUs). The distance between Gaussian curves obtained using GMMs can be considered as an indicator of topo‐bathymetric connectivity between MUs (e.g., main and side channels) on sites presenting multichannel or channelized channel configurations. The study showed the high potential of PDF and GMM analysis in the field of fluvial geomorphology and suggests interesting developments for river management and restoration.
Development of CHARMM compatible force field parameters and molecular dynamics simulations for the pesticide flupyradifurone
Authors: Bouchouireb Zakaria , Thany Steeve H. , Le Questel Jean‐Yves
Published: November 2023

Flupyradifurone (FLU) is a novel butenolide insecticide with partial agonist activity for insect nicotinic acetylcholine receptors. Its safety for non‐target organisms has been questioned in the literature, despite initial claims of its harmlessness. Detailed understanding of its toxicity and related molecular mechanisms remain under discussion. Thus, in this work, an optimized set of CHARMM compatible parameters for FLU is presented. CHARMM General Force Field program was used as a starting point while the non‐bonded and bonded parameters were adjusted and optimized to reproduce MP2/6‐31G(d) accuracy level results. For the validity assessment of these parameters, infrared spectrum, water‐octanol partition coefficient, and normal modes were computed and compared to experimental values found in the literature. Several MD simulations of FLU in water and FLU in complex with an acetylcholine‐binding protein were performed to estimate the ability of the optimized parameters to correctly describe its torsional space and reproduce observed crystallographic trends respectively.
Production of poly‐gamma‐glutamic acid and spore formation in Bacillus velezensis 83 are affected by acidic growing conditions and glucose uptake rate
Authors: Cristiano‐Fajardo Sergio Andrés , Barrón‐Reyes Daniela , Flores Celia , Luna‐Bulbarela Agustín , Soriano‐Peña Esmeralda , Tinoco‐Valencia Raunel , Galindo Enrique , Serrano‐Carreón Leobardo
Published: November 2023

BACKGROUND

Bacillus velezensis 83 is a biocontrol agent and plant growth promoting bacteria that produces antifungal compounds (surfactin and bacilomycin D), plant growth stimulation metabolites such as acetoin and butanediol and the polymer poly‐gamma‐glutamic acid (γ‐PGA), which is essential for bacterial plant colonization. Bacillus sporulation is an important trait in order to obtain long shelf‐life formulations for biocontrol purposes. γ‐PGA production and sporulation are closed‐related processes controlled by glucose availability and modulated by quorum sensing. High spore production (and its recovery) in B. velezensis 83 cultures is limited by the high viscosity oxygen‐limited broths resulting from γ‐PGA accumulation. This work studied the influence of acidic growing conditions and glucose specific uptake rate on growth, quorum sensing‐related metabolites production and sporulation of B. velezensis 83.

RESULTS

In batch cultures developed at pH = 5, no bacterial sporulation was detected and quorum sensing related metabolites as γ‐PGA (not detected) and surfactin and bacillomycin were significantly decreased. Instead, acetoin and butanediol were the main products. In contrast, in continuous cultures developed at pH = 5, spores were detected at D = 0.06 h−1. The results indicate that sporulation at pH = 5 is not inhibited by affectations on quorum sensing signals but could be due to a low availability/transport of energy sources (i.e., glucose or acetoin/butanediol) or an affectation on Rap‐Phr system.

CONCLUSION

The findings in this study allow to establish a two‐stage process for Bacillus velezensis 83 spore production: bacterial growth at pH = 5 and sporulation at pH = 6.8. © 2023 Society of Chemical Industry (SCI).
The combination of listening to background music and deep breathing as a stress reduction strategy during dental preclinical study
Authors: Felszeghy Szabolcs , Kurki Pirjo , Liukkonen Mikko , Suominen Anna Liisa , Huhtela Outi
Published: November 2023

Objectives

According to our earlier study, background music can help foster dental preclinical manual dexterity training and learning and has the potential to increase student satisfaction and productivity. Deep diaphragmatic breathing helps produce a relaxed mental state and is considered a behavioral coping strategy to reduce anxiety. Experimental data on whether background music combined with deep belly breathing reduces the stress and anxiety of preclinical dental students during practice is lacking. Thus, we focused on evaluating the effects of the combined use of these two techniques on dental students during preclinical manual skills training.

Methods

Thirty‐one voluntary 3rd‐year dental students’ anxiety levels and their behavioral changes were monitored via anonymous, voluntary surveys including the Patient Health Questionnaire‐4, General Health Questionnaire‐12 (GHQ‐12), and Visual Analogue Scale for Anxiety (VAS‐A).

Results

Overall, stress measured by GHQ‐12 decreased significantly in female students (p = 0.025), but not in males. Both background music and deep belly breathing significantly reduced all students' fear and stress based on their VAS‐A scores in practice. However, a clear difference from the nonuse of coping strategies could not be conclusively shown. The students regarded the course positively based on survey replies.

Conclusions

The combined use of the two coping strategies delivered beneficial effects to the preclinical dental students: they reduced the amount of stress in the supervised preclinical students and considerably cut down the students’ anxiety. Further investigation of this new dental training scenario may help professionals provide better student education and care management during the dental preclinical phase.
Exploring the mechanism underlying the therapeutic effects of butein in colorectal cancer using network pharmacology and single‐cell RNA sequencing data
Authors: Lu Ye , Shan Li , Cheng Xu , Zhu Xiao‐Li
Published: November 2023

Background

Butein has shown substantial potential as a cancer treatment, but its precise mechanism of action in colorectal cancer (CRC) remains unclear. This study aimed to uncover the underlying mechanisms through which butein operates in CRC and to identify potential biomarkers through a comprehensive investigation.

Methods

Target genes associated with butein were sourced from SwissTargetPrediction, CTD, BindingDB and TargetNet. Gene expression data from the GSE38026 dataset and the single‐cell dataset (GSE222300) were retrieved from the Gene Expression Omnibus database. The activation of disease‐related pathways was assessed using Kyoto Encyclopedia of Genes and Genomes, Gene Ontology and differential gene analysis. Disease‐associated genes were identified through differential analysis and weighted gene co‐expression network analysis (WGCNA). The protein–protein interaction network was utilized to pinpoint potential drug targets. Molecular complex detection (MCODE) analysis was employed to uncover relevant genes influenced by butein within key subgroup networks. Machine learning techniques were applied for the screening of potential biomarkers, with receiver operating characteristic curves used to evaluate their clinical significance. Single‐cell analysis was conducted to assess the pharmacological targets of butein in CRC, with validation performed using the external dataset GSE40967.

Results

A total of 232 target genes for butein were identified. Functional enrichment analysis revealed significant enrichment of signaling pathways, including mitogen‐activated protein kinase, JAK‐STAT and NF‐κB, among these genes. Differential analysis, in conjunction with WGCNA, yielded 520 disease‐related genes. Subsequently, a disease‐drug‐gene network consisting of 727 targets was established, and a subnetwork containing 56 crucial genes was extracted. Important pathways such as the FoxO signaling pathway exhibited significant enrichment within these key genes. Machine learning applied to the 56 important genes led to the identification of a potential biomarker, UBE2C. Receiver operating characteristic analysis demonstrated the excellent clinical predictive utility of UBE2C. Single‐cell analysis suggested that butein’s therapeutic effects might be linked to its influence on epithelial and T cells, with UBE2C expression associated with these cell types. Validation using the external dataset GSE40967 further confirmed the exceptional clinical predictive capability of UBE2C.

Conclusion

This study combines network pharmacology with single‐cell analysis to unravel the mechanisms underlying butein’s effects in CRC. Notably, UBE2C emerged as a promising biomarker with superior clinical efficacy. These research findings contribute significantly to our understanding of specific molecular mechanisms, potentially shaping future clinical practices.
Faba bean (Vicia faba L.) varieties reveal substantial and contrasting organic phosphorus use efficiencies (PoUE) under symbiotic conditions
Authors: Amoako Frank K. , Jillani Ghulam , Sulieman Saad , Mühling Karl H.
Published: November 2023

Background

The excessive use of inorganic P (Pi) in soils is alarming as it is causing numerous environmental problems and may lead to the depletion of rock phosphate reserves earlier than expected. Hence, to limit the over‐dependence on Pi, there is the need to investigate organic phosphorus (Po), which is the dominant P form of soil P pool, as an alternate P source for plant growth.

Aim

The present study seeks to investigate organic P use efficiency of eight varieties of faba bean grown symbiotically.

Methods

The plants were grown in pots (6 kg soil) under greenhouse condition with three P source, namely, phytic acid (organic P, Po), KH2PO4 (inorganic P, Pi), and no‐P. The P was applied at the rate of 1.79 g kg−1 soil.

Results

The plants grown with Po and Pi produced similar amounts of root, shoot, and total dry matters. Despite producing statistically similar dry matters, P uptake by Pi‐fertilized plants was twofold higher than by Po‐fertilized plants. Meanwhile, Pi differed significantly from Po in terms of nodulation characteristics such as nodule dry biomass and individual nodule dry biomass. However, Po varied significantly from Pi in P utilization and acquisition efficiencies. Principal component analysis of Pi and Po revealed no significant variation and close association, confirming the nonsignificant differences between the two P treatments. Among the varieties tested, Tiffany tended to accumulate more dry matter, coupled with highest organic P utilization efficiency (0.48 g mg−1) as well as the highest organic P beneficiary factor (80%).

Conclusion

These results provide a solid basis for further comparisons at physiological, biochemical, and molecular levels between Tiffany (Po‐efficient) and Fuego (Po‐inefficient) varieties, offering deep insights into and making it easier to understand the mechanisms that allow soil Po to be utilized under symbiotic conditions.
Higher‐Order States in a Non‐Hermitian 3D Topological Photonic Crystal
Authors: Wang Xiaoxiao , Gu Ruizhe , Li Yandong , Qi Huixin , Hu Xiaoyong , Gong Qihuang
Published: November 2023

Higher‐order topological insulators hosting topological modes at hinges and corners provide a new avenue for disorder‐immune light transport, which prospects great potential in applications of integrated photonics devices. However, the active control of topological modes in 3D higher‐order topological insulators is not realized yet, and its construction is too complicated and huge to analyze. Here, a method is proposed to construct effective Hamiltonians for higher‐order topological insulators, which provides a correct physical picture of the states and the corresponding energies at the domain walls. A non‐Hermitian 3D honeycomb lattice is constructed, which can generate arbitrary‐located, arbitrary‐shaped, and robust topological hinge states propagating at gain‐loss domain walls. The 3D honeycomb lattice can also appear as non‐Hermitian third‐order TIs exhibiting corner states, which can be dynamically controlled and show new topologically protected confinement rules. This work expands the understanding of the topological properties in non‐Hermitian systems and enables the dynamic control of topological states of different dimensions.
An implicit consideration of fluid flow in the calculation of drying shrinkage of porous materials: Case of saturated concrete in low humidity environment
Authors: Zou Yuliang , Saad Mazen , Grondin Frédéric , Alam Syed Yasir
Published: November 2023

The drying shrinkage of porous materials is significantly dependent on external relative humidity (). The perspective of temperature increase due to the climate change will accentuate the drying phenomenon in structures in lands and cities. The evolution of shrinkage can be determined by equivalent pore pressure consisting of capillary pressure , disjoining pressure and pressure caused by interfacial energy. For concrete structures, up to condition, standard models can reproduce the drying shrinkage experiments accurately. However, as the decreases to 30%, these models seem to be limited because the measured relationship () differs from the corresponding static equilibrium relationship as the drying occurs rapidly and the dynamic fluid flow effects on capillary pressure have been neglected. In this paper, the standard shrinkage model has been improved to take into account the dynamic flow effect and the viscoelastic behaviour of the solid skeleton. The dynamic and standard models have been compared with experimental results of drying shrinkage of concrete with two different relative humidity conditions. The standard model clearly showed its limitations at low external relative humidity . However, the dynamic model showed good prediction of mass loss and shrinkage strains at high and low humidity conditions. Furthermore, the numerical and experimental investigations indicate that not only the dynamic effects but also the additional pressure induced by surface energy should be taken into account to quantify the drying shrinkage of cement‐based materials at low  condition.
Study on the time‐dependent interaction between surrounding rock and yielding supports in deep soft rock tunnels
Authors: Wu Kui , Song Junan , Zhao Nannan , Shao Zhushan
Published: November 2023

As yielding supports can deform without being damaged, the yielding principle has attracted significant attention for tunnelling in squeezing ground compared with the heavy support method. The deformation energy of surrounding rock can be managed using yielding supports that maintain the rock pressure within the bearing capacity of the supports. However, although the yielding principle has been often applied in practical scenarios, a design method for yielding supports has yet not been well developed. This study discusses interaction between the squeezing ground and yielding supports and investigates the influence of the time‐dependent behaviour of rock on the yielding supports. The yielding supports can be implemented by the movement of sliding joints of steel arches or by shortening the yielding elements inserted in shotcrete linings. The deforming process of yielding supports can be divided into three stages: elastic a, yielding, and elastic b. A three‐stage pressure‐displacement relationship of yielding supports is proposed and a method is provided for the calculation of the support stiffnesses of yielding supports in different stages. Furthermore, a unified design approach for the yielding supports is presented and the theoretical model is established after simplifying the asymmetry of problem. The analytical solution for tunnel displacement and support pressure in a tunnel supported by the yielding supports is obtained. The proposed design method for the yielding supports is successfully applied to the Saint Martin La Porte access tunnel, and the mean tunnel deformation in this tunnel is appropriately predicted by the analytical solution. Additionally, a parametric investigation is performed based on the analytical solution, and the effects of yielding path, yielding displacement, support thickness, and installation time of the yielding supports are discussed. Finally, certain highlights of the analytical model of yielding supports in this study are identified, compared with other researches, and recommendations for the design of the yielding supports are provided. The outcome of this research has potential applications in the preliminary design of deep tunnels in squeezing ground.
Efficient and accurate temporal second‐order numerical methods for multidimensional multi‐term integrodifferential equations with the Abel kernels
Authors: Zhao Mingchao , Chen Hao , Li Kexin
Published: November 2023

This work develops two temporal second‐order alternating direction implicit (ADI) numerical schemes for solving multidimensional parabolic‐type integrodifferential equations with multi‐term weakly singular Abel kernels. For the two‐dimensional (2D) case, applying the Crank–Nicolson method and product integration rule to discretizations of temporal derivative and integral terms, respectively, and the spatial discretization is proposed using a compact difference formulation combined with the ADI algorithm; for the three‐dimensional case, the method of temporal discretization is the same as the 2D case, and then we employ the standard finite difference in space to construct a fully discrete ADI finite difference scheme. The ADI technique is used to reduce the calculation cost of the high‐dimensional problem. Besides, the stability and convergence of two ADI schemes are rigorously proved by the energy argument, in which the first scheme converges to the order , where , , and denote the time‐space step sizes, respectively, and the second scheme converges to the space‐time second‐order accuracy. Finally, the numerical results verify the correctness of the theoretical analysis and show that the method of this article is competitive with the existing research work.
Effect of N, S atoms on the mechanisms of H‐transfer for five‐membered nitrogen‐containing heterocycles
Authors: Fu Yan‐Hua , Wang Kai , Yang Liguo , Shen Guang‐Bin , Zhu Xiao‐Qing
Published: November 2023

As the mechanisms of the hydride transfer reaction between 7,8‐dihydro‐9‐methylcaffeine (CAFH) with N‐methylacridinium (AcrH+ClO4‐) and hydrogen atom transfer (HAT) reaction between 2,3‐dihydrobenzo‐imidazoles (BIH) with 2,2‐diphenyl‐1‐picrylhydrazyl radical (DPPH•) were researched to both be induced by electron transfer, the reaction mechanisms of 2,3‐dihydrobenzo‐thiazoles (BTH) with these two substrates were studied. The thermodynamic analysis platforms were used to judge the mechanisms, and the mechanisms of these two reactions were not the same with CAFH and BIH as the Eox (BTH) value was more positive than CAFH and BIH. A new method for inferring the reaction mechanism was proposed using the kinetic equation ΔG≠XH/Y = ΔG≠o (XH) + ΔG≠o(Y) and thermo‐kinetic parameter ΔG≠o. The HAT reaction mechanisms between BTH with DPPH• and tBu3PhO• were researched by ΔG≠oHD. As the ΔG≠o (BTH) values in these two reactions were similar; hence, the rate determining steps of them were both HATs as the ΔG≠oHD(Y) values of DPPH• and tBu3PhO• used for determining ΔG≠o (BTH) were both in HAT reactions. The HAT reaction mechanisms between BIH with tBu3PhO• were also researched by thermodynamic analysis platform and kinetic isotope effect (KIE = 3.99), which confirmed that the rate determining step of BIH/tBu3PhO• was indeed HAT. The H‐donating ability of BIH and BTH was compared by ΔG≠oHD. From BIH to BTH, the substitution of N by S not only greatly reduces the thermodynamic electron donating and H‐donating capacity of the compound but also increases the H‐donating ability in kinetics and HAT reaction.
Nanoscale structural characterization of transthyretin aggregates formed at different time points of protein aggregation using atomic force microscopy‐infrared spectroscopy
Authors: Rodriguez Axell , Ali Abid , Holman Aidan P. , Dou Tianyi , Zhaliazka Kiryl , Kurouski Dmitry
Published: November 2023

Transthyretin (TTR) amyloidosis is a progressive disease characterized by an abrupt aggregation of misfolded protein in multiple organs and tissues TTR is a tetrameric protein expressed in the liver and choroid plexus. Protein misfolding triggers monomerization of TTR tetramers. Next, monomers assemble forming oligomers and fibrils. Although the secondary structure of TTR fibrils is well understood, there is very little if anything is known about the structural organization of TTR oligomers. To end this, we used nano‐infrared spectroscopy, also known as atomic force microscopy infrared (AFM‐IR) spectroscopy. This emerging technique can be used to determine the secondary structure of individual amyloid oligomers and fibrils. Using AFM‐IR, we examined the secondary structure of TTR oligomers formed at the early (3–6 h), middle (9–12 h), and late (28 h) of protein aggregation. We found that aggregating, TTR formed oligomers (Type 1) that were dominated by α‐helix (40%) and β‐sheet (~30%) together with unordered protein (30%). Our results showed that fibril formation was triggered by another type of TTR oligomers (Type 2) that appeared at 9 h. These new oligomers were primarily composed of parallel β‐sheet (55%), with a small amount of antiparallel β‐sheet, α‐helix, and unordered protein. We also found that Type 1 oligomers were not toxic to cells, whereas TTR fibrils formed at the late stages of protein aggregation were highly cytotoxic. These results show the complexity of protein aggregation and highlight the drastic difference in the protein oligomers that can be formed during such processes.
Effects of ion type and concentration on the structure and aggregation of the amyloid peptide Aβ16−22$$ {\boldsymbol{\beta}}_{16-22} $$
Authors: Smorodina Eva , Kav Batuhan , Fatafta Hebah , Strodel Birgit
Published: November 2023

Among the various factors controlling the amyloid aggregation process, the influences of ions on the aggregation rate and the resulting structures are important aspects to consider, which can be studied by molecular simulations. There is a wide variety of protein force fields and ion models, raising the question of which model to use in such studies. To address this question, we perform molecular dynamics simulations of Aβ16–22, a fragment of the Alzheimer's amyloid β peptide, using different protein force fields, AMBER99SB‐disp (A99‐d) and CHARMM36m (C36m), and different ion parameters. The influences of NaCl and CaCl2 at various concentrations are studied and compared with the systems without the addition of ions. Our results indicate a sensitivity of the peptide‐ion interactions to the different ion models. In particular, we observe a strong binding of Ca2+ to residue E22 with C36m and also with the Åqvist ion model used together with A99‐d, which slightly affects the monomeric Aβ16–22 structures and the aggregation rate, but significantly affects the oligomer structures formed in the aggregation simulations. For example, at high Ca2+ concentrations, there was a switch from an antiparallel to a parallel β‐sheet. Such ionic influences are of biological relevance because local ion concentrations can change in vivo and could help explain the polymorphism of amyloid fibrils.
Experimental assessment of laser scarecrows for reducing avian damage to sweet corn
Authors: Manz Sean T , Sieving Kathryn E , Brown Rebecca N , Klug Page E , Kluever Bryan M
Published: November 2023

BACKGROUND

Birds damage crops, costing millions of dollars annually, and growers utilize a variety of lethal and nonlethal deterrents in an attempt to reduce crop damage by birds. We experimentally tested laser scarecrows for their effectiveness at reducing sweet corn (Zea mays) damage. We presented 18 captive flocks of free‐flying European starlings (Sturnus vulgaris) with fresh sweet corn ears distributed on two plots where laser and control treatments were alternated each day and allowed each flock to forage over 5 days. In 16 trials, fresh sweet corn ears were mounted on wooden sticks distributed from 0 to 32 m from laser units (Stick Trials), and in two trials birds foraged on ripe corn grown from seed in the flight pen (Natural Trials). We aimed to determine if laser‐treated plots had significantly less damage overall and closer to the laser unit, and whether birds became more or less likely to forage in laser‐treated plots over time.

RESULTS

Lasers reduced damage overall, marginally in Stick Trials and dramatically in Natural Trials. Damage increased during each week in both trial types. Damage increased significantly with distance from lasers, and significant treatment effects occurred up to ~20 m from lasers.

CONCLUSION

Our results concur with recent field trials demonstrating strong reductions in sweet corn damage when lasers are deployed. This study provides a first look at how birds respond to repeated laser exposure and whether damage increases with distance from lasers. Key differences between pen and field trials are discussed. © 2023 Society of Chemical Industry. This article has been contributed to by U.S. Government employees and their work is in the public domain in the USA.
Liquid migration revisited: Reflections on Brazilian mobilities to Australia
Authors: Azeredo Rafael
Published: November 2023

This paper discusses whether liquid migration, a framework developed to theorise recent patterns of intra‐European migration, is a suitable lens to analyse contemporary migration in other regions of the Western world. It does so by drawing on findings from ethnographic research conducted on the Brazilian migration to Australia, a recent migration wave whose patterns are embedded in a transformed migration context and paradigm. The reflections suggest that, notwithstanding a few differences and nuances inherent to the migration regime in question, the original framing of liquid migration is helpful to analyse and understand contemporary patterns of Brazilian migration to Australia. The contributions of this paper include a reframing of the original dimensions of liquid migration based on contemporary migration patterns to Australia. Based on the Australian case, this paper proposes a new dimension of liquid migration—namely, fluid visa journeys—which addresses some of the critiques of the original formulation of the concept. Finally, this paper argues that the fluidity of contemporary migration patterns to Australia is not a condition migrants pursue willingly, but rather one they are ‘trapped into’.
A dynamic power prior approach to non‐inferiority trials for normal means
Authors: Mariani Francesco , De Santis Fulvio , Gubbiotti Stefania
Published: November 2023

Non‐inferiority trials compare new experimental therapies to standard ones (active control). In these experiments, historical information on the control treatment is often available. This makes Bayesian methodology appealing since it allows a natural way to exploit information from past studies. In the present paper, we suggest the use of previous data for constructing the prior distribution of the control effect parameter. Specifically, we consider a dynamic power prior that possibly allows to discount the level of borrowing in the presence of heterogeneity between past and current control data. The discount parameter of the prior is based on the Hellinger distance between the posterior distributions of the control parameter based, respectively, on historical and current data. We develop the methodology for comparing normal means and we handle the unknown variance assumption using MCMC. We also provide a simulation study to analyze the proposed test in terms of frequentist size and power, as it is usually requested by regulatory agencies. Finally, we investigate comparisons with some existing methods and we illustrate an application to a real case study.
Setting the agenda for diabetes research in the state of Qatar
Authors: Mishra Amit , Kokku Suresh Babu , Skaroni Ioanna , Motawaa Kholoud Ateeq Al , Al‐Thani Mohammed , Wareham Nicholas , Abou‐Samra Abdul Badi , Taheri Shahrad
Published: November 2023

Background

The burden of non‐communicable diseases, including diabetes, is high in the Middle East and North Africa (MENA) region. Qatar (a MENA country) has a high prevalence of diabetes (16.7%). Over the past 20 years, Qatar has made significant investment to establish a biomedical research infrastructure. This article documents the processes adopted for the development of a national diabetes research agenda for Qatar.

Methods

To develop the diabetes research agenda, a three‐step process was adopted. First, a bibliometric analysis of diabetes‐related research publications was conducted to understand current research and funding patterns. Second, through in‐depth interviews and a national consultative workshop, the challenges associated with diabetes research and their potential solutions were documented. Third, an expert team assimilated the recommendations to finalise the diabetes research agenda for the State of Qatar.

Results

A steadily increasing number of diabetes research publications and collaboration with researchers from 48 different countries was noted. Aetiological research (49%), mainly from cohort studies, dominated research publications. The national diabetes research agenda prioritised five research areas focused on diabetes prevention, early detection, reversal, treatment development and evaluation and system research for improved outcomes. Under each area, a set of research questions were identified to guide the research community to align their research interests with high‐priority research in diabetes.

Conclusion

The national research agenda development process has uncovered some important knowledge gaps and outlined the most impactful areas for diabetes research. Achievement of the objectives of the research agenda requires enhanced collaboration among the research community, sustained research funding and enabling a robust regulatory framework.
Improving public safety in events of mass gathering: The 2022 Kanjuruhan Stadium Disaster in Indonesia
Authors: Wiyono Lowilius , Kresnadi Irfan , Munir Awliya Syamsul , Tannuardi Medhavini , Mirtha Listya Tresnanti
Published: November 2023

The Kanjuruhan tragedy has caused tremendous sorrow for Indonesia and its football history. The incident happened during the match between the Arema and Persebaya football teams that was followed by a chaotic stampede due to supporters’ anarchy. The incident caused 135 deaths due to a stampede in the chaotic stadium. However, it has also brought into the limelight several violations and depravity of safety measures that have been neglected by the Indonesian officials and its football association. Despite being banned by FIFA's Safety and Security Regulations, the use of crowd‐control gas is hypothesized as one of the key driving factors for the stampede. There were also violations of the evacuation plan with overloaded stadium capacity, lack of safety protocol, and no regard for the disaster management command chain needed in such a situation. Inappropriate security plans, lack of safety officers, lack of a contingency plan in the event of a stampede, and lack of appropriate safe infrastructure contributed to the severity of this incident. We discuss the incident with the possible causes and notable issues in the management of mass gatherings, as well as the might‐be solution and precaution for all parties involved, from the evaluation of the use of crowd‐control gas, reassessment of safety protocol, and infrastructure to the appropriate response for stampede or any similar situations. The Kanjuruhan tragedy is heart‐wrenching, with various issues involved, showing the lack of regulations by the Indonesian government and its football association. However, it might also be an opportunity to learn and inspect all parties to achieve a peaceful and safe football in Indonesia.
Event‐triggered security control for fuzzy‐model‐based cyber‐physical systems under Denial‐of‐Service attacks and actuator faults
Authors: Tan Cheng , Gao Chengzhen , Ding Tongtong , Peng Jinzhu , Zhang Fangfang
Published: November 2023

This article addresses the issue of event‐triggered security control for nonlinear cyber‐physical systems, characterized by Denial‐of‐Service (DoS) attacks, time‐varying delays, and actuator faults. These complexities are captured using the Takagi–Sugeno fuzzy model. Significantly, this study focuses on DoS attacks targeting the controller‐to‐actuator channel, and subsequently introduces a model for actuator faults that considers the prolonged utilization or degradation of component parts. To optimize communication resource allocation, a model‐independent event‐triggered mechanism is proposed. Utilizing the Lyapunov–Krasovskii function approach, the objective of achieving stochastic stability is transformed into a linear matrix inequalities problem, thus deriving a set of sufficient conditions. The efficiency and validity of the proposed algorithms is demonstrated through simulation results.