bluuebunny/crossref_metadata_2025 huggingface dataset:
Raman spectroscopic study of non‐stoichiometry in cerianite from critical zone
Authors: Zhukova Irina A. , Stepanov Aleksandr S. , Malyutina Alexandra , Doroshkevich Anna G. , Korsakov Andrey V. , Jiang Shao‐Yong , Bakovets Vladimir V. , Pomelova Tatyana A. , Nigmatulina Elena N.
Published: June 2023

Cerianite (CeO2) is one of the key minerals controlling the behavior of rare earth elements (REE) in supergene environment, yet little is known about the composition and structure of the mineral. We present Raman spectroscopy and compositional data on regolith cerianite from carbonatite‐related supergene REE deposits. Cerianite showed a low content of impurities, distinguishing from high‐temperature environments, where the mineral is characterized by elevated concentrations of lanthanides other than Ce. The Raman spectra are characterized by the shift of the dominant peak located at 464–465 cm−1 in stoichiometric CeO2 to the lower wavenumbers of 450–455 cm−1, the widening of this peak with the increasing shift, and the presence of additional peaks at 225–230, 284, and 604–613 cm−1. The independence of the main spectral characteristics from the laser wavelength (tested by three lasers: 488, 532, and 633 nm) suggests that the features are genuine and not produced by REE luminescence. The anhydrous composition of supergene cerianite is indicated by the absence of Raman bands in the water‐bearing region of the spectra (2700–3200 cm−1). The spectral features of supergene cerianite, combined with the compositional data, suggest non‐stoichiometry in the mineral and the presence of Ce3+ with oxygen vacancies in the mineral structure. Our observations demonstrate the efficiency of Raman spectroscopy for the identification of the non‐stoichiometric composition of cerianite and its common occurrence in the critical zone.
Assessing food safety risks based on a geospatial analysis: toward a cross‐regional food safety management
Authors: Nie Wenjing , Liu Chunhui
Published: June 2023

BACKGROUND

Food safety risks (FSRs) are increasingly characterized by geographical complexity along with rapid urbanization, changing dietary pattern, and the modernization of the food industry. These factors pose challenges for food risk control in developing economies, more so during the global COVID‐19 pandemic. The accurate assessment of risk source and transfer path is a crucial step toward enhancing cross‐regional food safety management. This study aims to examine the spatial distribution, transfer path and driving factors of FSRs in China, provided with a national food safety database collected from 8.63 million batches of food sampling inspections for 33 different types of foods across 30 provinces.

RESULTS

The findings reveal significant regional disparities in FSRs, which is the highest in the west with small‐scale sampling inspection and the lowest in the east with intensive sampling inspection. Catering and processed foods with higher daily consumption suffer more profound FSR than agricultural products. As evidenced by the shrinking low‐low agglomeration areas, the local FSRs have been effectively controlled. The high‐high agglomeration areas playing positive impacts on risk control are expanding while distributed discretely.

CONCLUSION

The spatial transfer of FSRs is significantly driven by multiple drivers: regulatory capacity and intensity, information disclosure, food industry, regional economy, and food consumption. Assessing FSRs based on a geospatial analysis contributes to identifying risk sources, optimizing risk management, and constructing a sustainable food safety system. © 2023 Society of Chemical Industry.
New liquid chromatography columns for highlighting the interaction of ligand candidates with humic acid
Authors: Guillaume Yves Claude , André Claire
Published: May 2023

Humic acid was the main compound in soil and reduced the availability of some organic compounds in soils. In this work, humic acid was immobilized for the first time on a homemade neutravidin poly(glycidyl methacrylate‐co‐ethylene dimethacrylate) capillary column with a 20 μm i.d. for the screening of potential ligands to humic acid and the evaluation of their molecular recognition mechanism. This homemade humic acid column enabling it to work at very low backpressure (0.60 MPa at 20 nl/min flow rate), had a long lifetime, excellent repeatability, and negligible non‐specific binding sites. The performance of this affinity humic acid column was demonstrated by the evaluation of recognition assay for a series of known ligands of humic acid (a series of rodenticide molecules) which is the heart of the fragment‐based drug design. In addition, this column was used successfully for highlighting the binding mechanism to humic acid of the severe acute respiratory syndrome coronavirus‐2‐spike protein. As well this new humic acid miniaturized liquid chromatography column developed in this work could be used in the feature for another solute molecule‐humic acid binding studies or for a separative mode.
Structural studies of supramolecular complexes and assemblies by ion mobility mass spectrometry
Authors: Zimnicka Magdalena M.
Published: June 2023

Recent advances in instrumentation and development of computational strategies for ion mobility mass spectrometry (IM‐MS) studies have contributed to an extensive growth in the application of this analytical technique to comprehensive structural description of supramolecular systems. Apart from the benefits of IM‐MS for interrogation of intrinsic properties of noncovalent aggregates in the experimental gas‐phase environment, its merits for the description of native structural aspects, under the premises of having maintained the noncovalent interactions innate upon the ionization process, have attracted even more attention and gained increasing interest in the scientific community. Thus, various types of supramolecular complexes and assemblies relevant for biological, medical, material, and environmental sciences have been characterized so far by IM‐MS supported by computational chemistry. This review covers the state‐of‐the‐art in this field and discusses experimental methods and accompanying computational approaches for assessing the reliable three‐dimensional structural elucidation of supramolecular complexes and assemblies by IM‐MS.
Demography of Oysters Pre- and Postcollapse in Apalachicola Bay, Florida, Using Stage-Based Counts
Authors: Johnson Fred A. , Camp Edward V. , Gandy Ryan , Pine William E.
Published: June 2023

The collapse of oyster populations and the fisheries they support has been a worldwide phenomenon, but studies of oyster demography in situ prior to and after the collapse have been rare. We used time series of stage-based counts of eastern oysters Crassostrea virginica in Apalachicola Bay, Florida, to help understand how abundance and demographic rates may have changed in the decade after the 2012 collapse relative to the period before the collapse. We relied on a Bayesian hierarchical model in which the latent stage structure of the oyster population (i.e., densities of spat, sublegal oysters, and legal oysters) was governed by a system process and where the count data represented summaries of that latent structure. Count data were sufficient to conduct this on two large oyster bars that had some of the highest precollapse oyster densities. We also examined nine other bars with less data for any temporal trends in postcollapse abundance that might be associated with recent restoration efforts. Among the 11 bars examined, oyster densities were often increasing prior to the collapse and were very low, without detectable trends, afterward. Based on our demographic analyses, mortality rates of Apalachicola Bay oysters in the decade after the collapse generally exceeded (often greatly so) those during the precollapse period for all oyster stages. On the other hand, spat settlement rates apparently were increasing prior to the collapse and remained high during the postcollapse period. Simulations of postcollapse demography suggest that without improved survival rates, further declines of the oyster population can be expected. We discuss these findings in light of ongoing restoration and management efforts and suggest ways in which rapid transitions to undesirable socio-ecological regimes might be avoided in the future.
Sitting may increase risk for radiographic incidence and progression of knee osteoarthritis over 2 years: Data from a large cohort study
Authors: Voinier Dana , Neogi Tuhina , Master Hiral , Thoma Louise M. , Brunette Meredith , Jakiela Jason , Stefanik Joshua J. , White Daniel K.
Published: May 2023

Objectives

To examine the association of leisure‐time sitting with radiographic incidence and progression of knee osteoarthritis (OA) over 2 years, and to determine whether worktime sitting modifies this association.

Methods

We included adults with or at high risk for knee OA who enroled in the Osteoarthritis Initiative (OAI). Participants reported leisure‐time sitting (≤4 vs. >4 h/day) and worktime sitting (frequent vs. infrequent) at enrolment, and had bilateral knee radiographs at enrolment and 2 years later. Our outcome, radiographic knee OA incidence/progression (yes/no), was defined as any increase in Kellgren‐Lawrence grade over 2 years. We examined the association of leisure‐time sitting (≤4 vs. >4 h/day) with risk of radiographic knee OA incidence/progression using binary linear regression, adjusting for potential confounders. We stratified by worktime sitting (frequent vs. infrequent) and repeated our analysis.

Results

We included 4254 adults (mean age 61 years; 58% women; mean body mass index 29 kg/m2) who contributed a total of 8127 knees. Adults with >4 h/day of leisure‐time sitting had 25% higher risk (adjusted risk ratio [RR] 1.25, 95% confidence interval [95% CI] 1.08–1.50) for radiographic knee OA incidence/progression compared with adults with ≤4 h/day of leisure‐time sitting (referent group). Importantly, this association was intensified (RR 1.60, 95% CI 1.19–2.33) among adults with frequent worktime sitting, but was attenuated (RR 1.11, 95% CI 0.89–1.39) among adults with infrequent worktime sitting.

Conclusions

Higher leisure‐time sitting (>4 h/day) may be associated with greater risk for radiographic knee OA incidence/progression over 2 years. Furthermore, this association was intensified among adults who also reported frequent worktime sitting.
Evaluation of the impact of guideline communication from the Centers for Disease Control and Prevention and the Centers for Medicare and Medicaid Services among US healthcare providers: COVID‐19 prevention counselling guidance
Authors: Taylor Melanie M. , Deb Arkaprava , Frazier Bernita , Lueken James Reiss , Das Mansi , Molke Joanna , Fitzgerald Erin , Ullian Tom , Nair Ridhu , Couch Marion , Turbyfill Caitlin , Horter Libby , Joshi Cecilia , DeLuca Nickolas
Published: May 2023

Aim

To evaluate healthcare provider awareness and uptake of the Centers for Medicare & Medicaid Services (CMS) billing for coronavirus disease 2019 (COVID‐19) prevention counselling and the delivery of prevention counselling to patients awaiting severe acute respiratory syndrome coronavirus 2 test results.

Design

Cross sectional survey of US‐based healthcare providers in February 2021.

Methods

Analysis of associations with healthcare provider‐reported awareness of CMS prevention counselling guidance and billing with provider type, specialty, and work setting.

Results

A total of 1919 healthcare providers responded to the survey. Overall, 38% (726/1919) of providers reported awareness of available CMS reimbursement for COVID‐19 patient counselling and 29% (465/1614) of CMS billing‐eligible providers reported billing for this counselling. Among physicians, those aware of CMS guidance were significantly more likely to bill (58%) versus those unaware (10%). Among RNSights respondents eligible for CMS billing (n = 114), 31% of those aware of the guidance reported billing as compared to 0% of those not aware.
A quadratic finite element for the relaxed micromorphic model
Authors: Sky Adam , Muench Ingo , Neff Patrizio
Published: May 2023

In this work we discuss the relaxed micromorphic model and implementation details for a full three‐dimensional formulation entailing a quadratic Lagrangian‐Nédélec finite element and appropriate boundary conditions in the discrete setting.

The relaxed micromorphic model is a generalized continuum theory with the capacity to capture more complex kinematical behaviour than in the classical Cauchy continua. Such behaviour is commonly found in materials with a pronounced micro‐structure such as porous media and metamaterials. The theory introduces the microdistortion field, encompassing nine additional degrees of freedom for each material point in the continuum, effectively turning each material point into a deformable micro‐body. The uncommon discrete formulation stems from the employment of the Curl operator in the energy functional of the relaxed micromorphic model, thus requiring H(curl)‐conforming finite elements for well‐posedness to be inherited in the discrete setting. The model further introduces the so called consistent coupling condition, which requires some technical considerations in order to be upheld correctly.

This work demonstrates the finite element formulation, culminating with a numerical example.
Hydraulically induced fracturing in heterogeneous porous media using a TPM‐phase‐field model and geostatistics
Authors: Wagner Arndt , Sonntag Alixa , Reuschen Sebastian , Nowak Wolfgang , Ehlers Wolfgang
Published: May 2023

Hydraulically induced fracturing is widely used in practice for several exploitation techniques. The chosen macroscopic model combines a phase‐field approach to fractures with the Theory of Porous Media (TPM) to describe dynamic hydraulic fracturing processes in fully‐saturated porous materials. In this regard, the solid's state of damage shows a diffuse transition zone between the broken and unbroken domain. Rocks or soils in grown nature are generally inhomogeneous with material imperfections on the microscale, such that modelling homogeneous porous material may oversimplify the behaviour of the solid and fluid phases in the fracturing process. Therefore, material imperfections and inhomogeneities in the porous structure are considered through the definition of location‐dependent material parameters. In this contribution, a deterministic approach to account for predefined imperfection areas as well as statistical fields of geomechanical properties is proposed. Representative numerical simulations show the impact of solid skeleton heterogeneities in porous media on the fracturing characteristics, e. g. the crack path.
Thermo‐electrohydrodynamic convection in a differentially heated shell with electric central force field
Authors: Szabo Peter S.B. , Gaillard Yann , Zaussinger Florian , Egbers Christoph
Published: May 2023

Thermo‐electrohydrodynamic convection is investigated in a shell with central force field to investigate convective pattern formation for potential heat transfer application and small scaled laboratory experiments e.g. the modelling of convection in planetary interiors or atmospheres. To induce TEHD convection the outer and inner shells are heated at different temperatures whereas an alternating electric potential is applied between both shells. The observation of the convective pattern formation suggest that dielectric fluids have a significant response to thermal and electrical forcing. The observed patterns ranged from quasi‐stationary convective modes in azimuthal direction to shape and mode amplitude vacillations with mode merging and separation that are classified into three regimes. The heat transfer was evaluated by the Nusselt number and showed an increase in heat transfer with electric forcing. However, the results indicate a much smaller heat transfer when compared to natural convection.
Investigations on Guided Ultrasonic Wave Dispersion Behavior in Fiber Metal Laminates Using Finite Element Eigenvalue Analysis
Authors: Barth Tilmann , Wiedemann Johannes , Roloff Thomas , Hühne Christian , Sinapius Michael , Rauter Natalie
Published: May 2023

Composite materials such as fiber metal laminates combine the advantages of metallic materials and fiber‐reinforced polymers. Hence, these materials are of great interest for thin‐walled structures in lightweight engineering. Due to the structure of these materials, damage to fiber metal laminate components occur more frequently inside the structure than with conventional materials. Since the detection of interlaminar damage is more complicated compared to external damage, it is one of the biggest challenges in the use of fiber metal laminates. One approach to detect this kinds of damage, is the use of guided ultrasonic waves, for example Lamb waves. To be able to perform such damage detection, knowledge about the propagation behavior of this kind of waves in fiber metal laminates is fundamental. Abrupt stiffness variations across the thickness of fiber metal laminates, resulting from the different material layers, lead to the question whether the known approaches for the propagation of guided ultrasonic waves in isotropic and transversely isotropic materials are applicable here. Therefore, the objective of this work is to investigate the propagation behavior of these guided ultrasonic waves in fiber‐metal laminates over large frequency ranges. For this purpose, dispersion relations from finite element simulations are compared with experimental data and numerical solutions based on the analytical framework. The investigations are carried out using a fiber metal laminate consisting of steel and carbon fiber‐reinforced polymers. Due to the orthotropy of the laminate, wave propagation in the fiber direction and perpendicular to it is considered. For the finite element simulations a linear two dimensional eigenvalue analysis is used. This method is especially suitable because it offers a very efficient modeling approach for this kind of application. The experimental data are based on measurements contained in previous publications by the authors. The comparison of the finite element simulations with the experimental data and the data from the analytical framework show that they are in good agreement. The results shown in this work serve to validate the numerical approach presented and allow for further, more complex simulations.
Comparing methods for permeability computation of porous materials and their limitations
Authors: Krach David , Steeb Holger
Published: May 2023

Efficient numerical simulations of fluid flow on the pore scale allow for the numerical estimation of effective material properties of porous media, e.g. intrinsic permeability or tortuosity. These parameters are essential for various applications where hydro‐mechanical properties on larger scales have to be known. Numerical tools based intrinsically on pore scale simulations are known e.g. as Digital Rock Physics in geosciences and have even more and more replaced physical experiments. For these reasons, the validation of numerical methods as well as the establishment of clear limits regarding the application areas play an important role. Here, we compute single‐phase flow through a porous matrix, e.g. irregular sphere packings, sandstones, artificially created thin porous media, on the pore scale. Therefore we implement on the one hand a Smoothed Particle Hydrodynamics algorithm for solving the Navier‐Stokes equations and on the other hand a Finite Difference solver for the Stokes equations. Both methods work directly and seamlessly on voxel data of porous materials which are generated by µXRCT‐scans or by microfluidic experiments that have undergone segmentation and binarization. We compare both solvers from a parallel performance point of view as well as their results for flows in the Darcy regime. In addition, we investigate the limitations of the solvers using the example of a porous material whose pore geometry changes over time and precipitation affects the flow conditions.
On the optimal localization of pendulum impacts using a non‐contact acoustic array
Authors: Kocur Georg Karl , Markert Bernd
Published: May 2023

The presented work aims to adapt a Geiger‐based method and localize pendulum impacts applied on a rigid steel plate using the data set of a 112 microphone array. The advantage compared to measurements with piezoelectric sensors, where normally a number of sensors are involved, is the superior number of microphones. To solve the Geiger algorithm on the three‐dimensional domain, at least data from three sensors and the primary wave velocity are required (four equations). Moreover, if the system of equations is overdetermined, an error minimization can be performed, for example, with the least‐squares method. Since in this work the distance between array and plate is constant, the algorithm can be even reduced to a two‐dimensional problem (only three equations required). Indeed, the superior overdetermination of 112 microphone data allows to index the optimal data set by combing microphone data and thus achieve the best localization results for the optimal microphone. This study is relevant to the scientific community because it will allow uncontrolled events cracks or other damage to be localized with a great accuracy and reliability.
Migration and remodeling in cartilage replacement materials – an in‐vitro bioreactor study
Authors: Salazar Ortiz Rodrigo , Dursun Gözde , Topol Heiko , Markert Bernd , Stoffel Marcus
Published: May 2023

This article presents a bioreactor study that investigates the influence of mechanical stimulation on cell migration in a cartilage replacement material. The bioreactor has been designed to carry out dynamic stimulation of cell‐seeded scaffolds, and it consists of a loading mechanism, a force‐measuring device, and a biocompatible chamber. The stimulation of the samples was carried out inside a bioreactor chamber, which simulates physiological conditions that are found in vivo. Cell migration was determined using two collagen scaffolds, a part that mimics native tissue and a second cell‐free implant. The two parts were positioned in direct contact with each other, and the samples were then subjected to cyclic compression loading for a two‐week time frame. We determined the cell viability, the number of migrated cells, and the migration depth into the initially cell‐free part of the specimen. The results from the dynamic loading were compared with an unloaded control sample. The cell migration effect was determined for different collagen concentrations, which allowed us to observe the relationship between the collagen content and cellular activity. The present results were compared to results from the literature.
The cocontinuous morphology induced from the graphene nanosheets percolation network structures in the immiscible high density polyethylene/polyamide 6/graphene nanosheets composites
Authors: Huang Chien‐Lin , Yang Hao‐Ping , Ye Ji‐Yuan , Fan Yang‐Chun , Huang Shen‐Po
Published: May 2023

The addition of graphene nanosheets (GNSs) into immiscible polymer composites to induce the cocontinuous morphologies shows potential application in reinforced nanocomposites and conductive polymer nanocomposites. In this work, immiscible high density polyethylene (HDPE)/polyamide 6 (PA6)/GNS composites were prepared via melt mixing. The electrical and rheological property of HDPE/PA6 composites filled with various GNS contents according to different viscosity ratios and mixing orders were investigated to reveal the double percolation effect via percolation scaling laws, and compared with those of HDPE/GNS and PA6/GNS composites. The morphology and GNS dispersion state of HDPE/PA6/GNS composites were examined via transmission electron microscopy and scanning electron microscope. Most of the GNS were selectively located in the PA6 phase of HDPE/PA6/GNS composites. The GNS‐related network and mixing order played important roles in the cocontinuous morphology formation and performance of HDPE/PA6/GNS conductive composites. Moreover, the addition of GNS also affected the crystallization kinetics and mechanical property of HDPE/PA6/GNS composites.
Realm of proteomics in breast cancer management and drug repurposing to alleviate intricacies of treatment
Authors: Behera Rama N. , Bisht Vinod S. , Giri Kuldeep , Ambatipudi Kiran
Published: June 2023

Breast cancer, a multi‐networking heterogeneous disease, has emerged as a serious impediment to progress in clinical oncology. Although technological advancements and emerging cancer research studies have mitigated breast cancer lethality, a precision cancer‐oriented solution has not been achieved. Thus, this review will persuade the acquiescence of proteomics‐based diagnostic and therapeutic options in breast cancer management. Recently, the evidence of breast cancer health surveillance through imaging proteomics, single‐cell proteomics, interactomics, and post‐translational modification (PTM) tracking, to construct proteome maps and proteotyping for stage‐specific and sample‐specific cancer subtyping have outperformed conventional ways of dealing with breast cancer by increasing diagnostic efficiency, prognostic value, and predictive response. Additionally, the paradigm shift in applied proteomics for designing a chemotherapy regimen to identify novel drug targets with minor adverse effects has been elaborated. Finally, the potential of proteomics in alleviating the occurrence of chemoresistance and enhancing reprofiled drugs' effectiveness to combat therapeutic obstacles has been discussed. Owing to the enormous potential of proteomics techniques, the clinical recognition of proteomics in breast cancer management can be achievable and therapeutic intricacies can be surmountable.
Resilience strategies of Filipino irregular migrant domestic workers in the Netherlands during the COVID‐19 pandemic
Authors: Siruno Lalaine , Siegel Melissa
Published: June 2023

COVID‐19 has brought a combination of health, socioeconomic and protection challenges to migrants everywhere, and a common view is that these effects have been harshest for those already in vulnerable situations before the pandemic. However, the lived experiences of Filipino irregular migrant domestic workers (IMDWs) in the Netherlands point to a range of impacts instead of a homogenous one. Drawing on interviews and participant observations, we analyse three specific pandemic consequences: income and financial remittance volatility, dual country or transnational precarity and physical and migration status immobility. We then analyse the resilience strategies deployed by IMDWs to navigate through such impacts. While our focus is on the microlevel, we also highlight the vital importance of the responses by the community on the mesolevel, and the government on the macrolevel. Following this relational approach, we put forward a conceptualisation of individual resilience as the capacity to navigate the negative impacts of a shock or crisis to maintain, adapt, or transform valued functionings. We argue that IMDWs cultivate resilience despite their precarious legal status; however, the effectiveness of strategies is contingent on personal circumstances as well as the sociopolitical context wherein they are deployed. The paper contributes to the literature by providing a more nuanced picture of the impacts of and responses to COVID‐19 in relation to migrants with irregular status. The articulation of resilience in terms of valued functionings also paves the way for the advancement of the still nascent research agenda on migration andhumandevelopment.
Potential Impacts of Roe v. Wade repeal on Sexual and Reproductive Health in Sub‐Saharan Africa
Authors: Ekerin Olabode , Shomuyiwa Deborah Oluwaseun , Bayoh Alex Vandy Saffa , Atieno Ouma Sarah , Tejan Yusuf Sheku , Ndep Antor O. , Mengesha Dawit Tesfagiorgis , Lowe Mat
Published: June 2023

The United States (US) Supreme Court's decision to repeal Roe v. Wade has had significant implications for abortion care in the US, especially for emergency care. This ruling may also have an impact on sub‐Saharan Africa, where restrictive laws and policies limit women's access to safe and legal abortions. Sub‐Saharan Africa is the region with the highest rate of unwanted pregnancies and unsafe abortions, resulting in 15,000 preventable deaths annually. Although every country in sub‐Saharan Africa has at least one legal basis for abortion, they remain limited. In Nigeria, where 29% of pregnancies are unintended, 48% of these led to abortions, amounting to over 1.4 million abortions between 2015 and 2019. Unsafe abortions are prevalent in the region due to socioreligious stigma, particularly for unmarried women. Criminal charges can result from violating these limitations, with prison terms ranging from 3 to 14 years. The reversal of Roe v. Wade could have significant consequences in abortion‐related policies and politics in sub‐Saharan Africa, encouraging nations to adopt restrictive policies and legitimizing them. The landmark decision of Roe v. Wade may also impact the rate of unsafe abortions in the region, much like the US Mexico City Policy. With the high probability of foreign assistance funds for safe abortions depleted, sub‐Saharan African countries must prepare for this financial vacuum in health response. Therefore, the repeal of Roe v. Wade may lead to increased maternal morbidity and mortality in sub‐Saharan Africa, where access to safe and legal abortions is already limited.
A reliability analysis technique for complex systems with retaining fuzzy information
Authors: Zeng Yining , Sun Youchao
Published: June 2023

This paper proposed a method for the reliability analysis of systems characterized by fuzzy failure probabilities and intricate failure behaviors, while retaining the fuzzy information throughout the analysis process. Specifically, we introduced a combinational modeling method that integrates generalized stochastic Petri nets (GSPN) and dynamic fault trees (DFT) to capture the dynamic failure behaviors and address the limitations of DFT modeling. This combinational approach is capable of capturing more sophisticated failure behaviors, such as competing failures and global failure propagation patterns. Furthermore, we propose an Monte Carlo technique based on endpoint sampling to enable quantitative analysis of GSPN‐based composite models, which preserves the fuzzy fault information of the system. Finally, we demonstrate the effectiveness of the proposed method through an example of a flight control system.
Switching threshold‐based event‐triggered adaptive asymptotic tracking control for stochastic nonlinear systems with full‐state constraints
Authors: Du Yang , Zhu Shan‐Liang , Zhai Lian‐Lian , Han Yu‐Qun
Published: June 2023

In this article, the problem of event‐triggered adaptive asymptotic tracking control (ATC) for stochastic nonlinear systems with unknown control directions (UCDs) and full state constraints is concerned. It must be said that the controller design and system analysis is more complex and difficult since the existence of stochastic disturbances, UCDs and full state constraints simultaneously. By introducing the lower bound of the UCDs into the barrier Lyapunov functions, an event‐triggered adaptive MTN ATC scheme is proposed based on the boundary estimation method and a new event‐triggered control (ETC) strategy, which can achieve satisfactory asymptotic tracking performance and control performance of the system, while reduce the occupation of network resources. The simulation results not only verify the effectiveness of the proposed control scheme, but also present different tracking performances between three ETC strategies for comparison, further confirming the superiority of the proposed ETC strategy in achieving asymptotic tracking performance.
Airborne Methyl Jasmonate is Metabolized to Jasmonic Acid and 12‐Hydroxyjasmonic Acid, and Induces Jasmonate Biosynthesis in Marchantia polymorpha
Authors: Tsuzuki Hiromu , Kitaoka Naoki , Inoue Shiro , Takahashi Kosaku , Matsuura Hideyuki
Published: June 2023

Methyl jasmonate (MeJA) is a volatile jasmonate compound commonly used to induce defense responses in spermatophytes. This study reports that airborne MeJA‐d3, deuterated MeJA, increases the levels of (dinor‐)12‐oxo‐phytodienoic acids [(dn‐)OPDAs] and jasmonic acid (JA) as well as JA‐d3 and 12‐hydroxyjasmonic acid‐d2 (12‐OH‐JA‐d2), MeJA‐d3 metabolites, in the model bryophyte Marchantia polymorpha. Enhancement of JA biosynthesis was substantiated by the expression of JA biosynthetic genes induced by airborne MeJA. Additionally, each of enantiomers, (+)‐MeJA and (−)‐MeJA, was observed to induce the accumulation of JA and (dn‐)OPDAs in M. polymorpha. This study demonstrates that airborne MeJA is metabolized to JA and 12‐OH‐JA, and induces JA biosynthesis in M. polymorpha. Moreover, the transient increase in endogenous JA level after airborne MeJA treatment provides concrete evidence that M. polymorpha biosynthesizes JA.
Designing High‐mass Loading 2D Ni‐TiO2/graphene Pellet Electrodes for Lithium Metal Batteries
Authors: Wang Gang , Zhang Qian , Zhang Kai , Gu Bo , Cheng Lin , Nie Qiaojun , Zhang Ming , Shen Zhongrong
Published: June 2023

High conductivity and mass transfer channels of electrode materials with high mass loadings are the fundamental requirements for achieving high‐rate performance and high‐volume energy density. In this study, we investigated the method of constructing high‐mass loading pellet electrodes and their applications in lithium metal batteries from three different perspectives: selecting active electrode materials, designing the mass transfer porous structure, and constructing a conductive network. The three‐dimensional conductive network with porous structures provides the electrolyte's mass transfer channels and convenient charge transfer paths. The resulting pellet electrode demonstrates Young's modulus of 511 MPa under 44 % porosity, achieving satisfactory rate performance under mass loadings of 37.7 mg cm−2. After 200 cycles at the current density of 2.83 mA cm−2, it can maintain 56 % initial capacity, and the volume expansion is only 8.04 %. This study provides reference values for exploring and preparing high‐mass loading electrodes and the future design of solid‐state battery electrodes.
“Magic Numbers” in Self‐Faceting of Alcohol‐Doped Emulsion Droplets
Authors: Hacmon Sagi , Liber Shir R. , Shool Lee , Butenko Alexander V. , Atkins Ayelet , Sloutskin Eli
Published: June 2023

Oil‐in‐water emulsion droplets spontaneously adopt, below some temperature Td, counterintuitive faceted and complex non‐spherical shapes while remaining liquid. This transition is driven by a crystalline monolayer formed at the droplets' surface. Here, we show that ppm‐level doping of the droplet's bulk by long‐chain alcohols allows tuning Tdby >50 °C, implying formation of drastically different interfacial structures. Furthermore, “magic” alcohol chain lengths maximize Td. This we show to arise from self‐assembly of mixed alcohol:alkane interfacial structures of stacked alkane layers, co‐crystallized with hydrogen‐bonded alcohol dimers. These structures are accounted for theoretically and resolved by direct cryogenic transmission electron microscopy (cryoTEM), confirming the proposed structures. The discovered tunability of key properties of commonly‐used emulsions by minute concentrations of specific bulk additives should benefit these emulsions' technological applicability.
NiS/Cd0.6Zn0.4S Schottky Junction Bifunctional Photocatalyst for Sunlight‐Driven Highly Selective Catalytic Oxidation of Vanillyl Alcohol Towards Vanillin Coupled with Hydrogen Evolution Reaction
Authors: Du Rui , Wang Chuantao , Guo Li , Soomro Razium Ali , Xu Bin , Yang Chunming , Fu Feng , Wang Danjun
Published: June 2023

Selective oxidation of biomass‐based molecules to high‐value chemicals in conjunction with hydrogen evolution reaction (HER) is an innovative photocatalysis strategy. The key challenge is to design bifunctional photocatalysts with suitable band structures, which can achieve highly efficient generation of high‐value chemicals and hydrogen. Herein, NiS/Cd0.6Zn0.4S Schottky junction bifunctional catalysts are constructed for sunlight‐driven catalytic vanillyl alcohol (VAL) selective oxidation towards vanillin (VN) coupling HER. At optimal conditions, the 8% NiS/Cd0.6Zn0.4S photocatalyst achieves high activity of VN production (3.75 mmol g−1 h−1) and HER (3.84 mmol g−1 h−1). It also exhibits remarkable VAL conversion (66.9%), VN yield (52.1%), and selectivity (77.8%). The photocatalytic oxidation of VAL proceeds a carbon‐centered radical mechanism via the cleavage of αC–H bond. Experimental results and theoretical calculations show that NiS with metallic properties enhances the electron transfer capability. Importantly, a Ni‐S‐Cd “electron bridge” formed at the interface of NiS/Cd0.6Zn0.4S further improves the separation/transfer of electrone/h+ pairs and also furnishes HER active sites due to its smaller the |ΔGH*| value, thereby resulting in a remarkably HER activity. This work sheds new light on the selective catalytic oxidation VAL to VN coupling HER, with a new pathway towards achieving its efficient HER efficiency.
All‐In‐One Evaporators for Efficient Solar‐Driven Simultaneous Collection of Water and Electricity
Authors: Ge Can , Xu Duo , Du Heng , Zhang Xiaohan , Song Zheheng , Zhao Haoyue , Chen Ze , Song Beibei , Shen Zhuoer , Gao Chong , Yan Guilong , Xu Weilin , Fang Jian
Published: May 2023

The shortage of fossil fuels and freshwater resources has become a serious global issue. Using solar energy to extract clean water with a photothermal conversion technology is a green and sustainable desalination method. Integrated electricity generation during the desalination process maximizes energy utilization efficiency. Herein, a solar‐driven steam and electricity generation (SSEG) system based on an all‐in‐one evaporator is prepared via a scalable technology. Carbon black is selected as the absorber for solar energy harvesting as well as the functional substance for simultaneous electricity generation. Fabric substrate with flexible structure, porous channel, and capillary effect is vital for directional brine supply, multiple solar absorption, and thermal management. The high evaporation rate (1.87 kg m−2 h−1) and voltage output (324 mV) can be achieved with an all‐in‐one device. The stable electricity output can be maintained over 40000 s. The SSEG performance remains constant after 15 operation cycles or 20 wash cycles. The integrated device balances excellent effectiveness and practicality, providing a viable path for clean desalination and electricity generation.
A Direct Z‐Scheme Quasi‐2D/2D Heterojunction Constructed by Loading Photosensitive Metal–Organic Nanorings with Pd Single Atoms on Graphitic–C3N4for Superior Visible Light‐Driven H2Production
Authors: Li Xin-Ao , Zhang Yi-Meng , Huang Jian-Feng , Hou Chao-Ping , Li Shao-Yong , Xiao Li-Min , Liu Jun-Min
Published: June 2023

Rational design of Z‐scheme composite photocatalysts with 2D/2D heterojunction is a promising method to convert solar energy into chemical fuels. Herein, a Pd2L2‐type metal–organic nanoring (MAC‐1), which can serve as a photochemical molecular device (PMD), is assembled by catalytic Pd2+centers and photosensitive ligands (M‐7). Then MAC‐1 is combined with graphite‐phase carbon nitride (g‐C3N4) to construct a direct Z‐scheme quasi‐2D/2D composite material MAC‐1/g‐C3N4with Pd single atoms. The optimized 3.5% MAC‐1/g‐C3N4single‐atom catalyst (SAC) shows better photocatalytic performance than g‐C3N4, MAC‐1, Pd/g‐C3N4, M‐7/Pd/g‐C3N4, and 3.5% MAC‐1/g‐C3N4‐mixed and also displays good durability for H2production. The H2yield rate of 22.3 mmol g−1 h−1and the corresponding turnover number based on Pd or MAC‐1 amount (TONPd/TONMAC‐1) of 119 172/238 344 within 50 h are achieved for 3.5% MAC‐1/g‐C3N4, which is one of the highest records of all visible light‐driven g‐C3N4‐based photocatalysts reported. Such remarkably enhanced activity can result from the enhanced charge carrier mobility, improved light absorption ability, enlarged heterojunction contact interface, and highly monodispersed Pd active sites. The Z‐scheme SAC composed of metal–organic nanorings and g‐C3N4nanosheets therefore has great potential as an efficient and sustainable photocatalyst for solar‐driven H2production.
Influence of Wall Angle of Direct Reduction Shaft Furnace on Particle Flow Pattern by DEM Modeling
Authors: Liao Haotian , Zong Yanbing , Li Kejiang , Bi Zhisheng , Jiang Chunhe , Liu Zhengjian , Zhang Jianliang , Zhang Caidong
Published: June 2023

The shape of shaft furnace is a crucial feature of direct reduction processes, as it affects both particle and gas flow during production. However, current knowledge on the impact of furnace shape on particle flow is limited. Herein, the discrete element method is employed for numerical simulations, in which two different methods of varying the wall angle (i.e., changing the radius or the height) are utilized to investigate the effect of wall angle on the flow behavior of particles in a shaft furnace. The effect of wall angle under different combinations of radius and height on the transformation of the particle flow pattern is innovatively examined, compared to previous studies on charging particles and internal furnace conditions. It is demonstrated in the results that the wall angle of the shaft furnace has a significant influence on the transformation of particle flow mode, with a reduction in the wall angle facilitating the transformation of particle flow mode to mass flow. Furthermore, it is shown in the study that different methods of changing the wall angle have varying effects on the transformation of particle flow mode.
A Dynamic Decarburization Model in Vacuum Oxygen Decarburization Process for Ultrapure Ferritic Stainless Steel
Authors: Wang Guanbo , Cheng Guoguang , Zhang Yanling , Ruan Qiang , Pan Jixiang , Chen Xingrun
Published: June 2023

A mathematical model incorporating dynamic parameters is proposed to investigate the overall decarburization process during the vacuum oxygen refining (VOD) process for ultrapure ferritic stainless steel. This paper also conducted a precise theoretical calculation of the C‐Cr equilibrium. Moreover, the top‐blowing oxygen distribution is categorized into six directions: [C] oxidation, alloy component oxidation, CO bubble oxidation above the bath surface, bath surface oxidation (FeO), dissolution in the molten steel ([O]), and escape into the exhausted gas. The FeO and Cr2O3 oxide are intermediate product of oxygen to oxidize [C] remaining in the molten steel during the VCD stage. The modified approach of Gibbs free energies determines the critical carbon concentration by the distribution ratio of carbon to the top‐blowing oxygen. The top‐blowing oxygen primarily consumed by CO‐CO2 bubble (49–55%) and Cr2O3 (26–33%). Additionally, the model considered operational aspects, the system's heat balance, and changes in overall metal‐slag conditions during the refining process. The exhausted gas composition and end‐point carbon concentration align well with industrial data. Within a certain range (approximately up to 0.50%), increasing initial carbon concentration can enhance overall decarburization efficiency.
Remote Electronic Tuning of Chiral N‐Heterocyclic Carbenes
Authors: Inokuma Tsubasa , Yamada Ken‐ichi
Published: May 2023

Our recent efforts to develop novel N‐Heterocyclic carbene (NHC)‐catalyzed asymmetric reactions are described. During our investigation for development of the acylation reactions via acylazoliums generated by the reactions of NHCs and α‐oxidized aldehydes, we have observed significant effects of substitution at a remote site of the carbene carbon of NHCs. In addition, we also observed a significant enhancement of the enantioselectivity by the addition of carboxylate anions. From this observation, we proposed a novel working hypothesis involving a formation of a complex of the substrate and additive to reinforce the recognition of the catalyst for enhancement of the catalytic performance of the asymmetric N‐heterocyclic carbene system. By applying this concept, we achieved the kinetic resolutions of both cyclic and acyclic alcohols in excellent enantioselectivities. The effects of the remote substitution were also observed in intramolecular Stetter reaction and intermolecular benzoin reaction. In these reactions, the comparison of the catalytic performance of the NHCs bearing variable remote substitutions provided insights into the reaction mechanism because the remote substitution tuned the electronic nature of NHCs without affecting the steric and electrostatic factors around the reaction site. We also developed an intramolecular benzoin condensation involving two aldehydes, which is challenging to realize. Using the substrates bearing proper protecting groups, we succeeded in the stereo divergent synthesis of a variety of inososes, which are important intermediates for the synthesis of biologically active cyclitols.
Application of Scanning Tunneling Microscopy and Spectroscopy in the Studies of Colloidal Quantum Qots
Authors: Duan Jiaying , Wang Jiapeng , Hou Liangpeng , Ji Peixuan , Zhang Wusheng , Liu Jin , Zhu Xiaodong , Sun Zhixiang , Ma Yanqing , Ma Lei
Published: May 2023

Colloidal quantum dots display remarkable optical and electrical characteristics with the potential for extensive applications in contemporary nanotechnology. As an ideal instrument for examining surface topography and local density of states (LDOS) at an atomic scale, scanning tunneling microscopy (STM) and scanning tunneling spectroscopy (STS) has become indispensable approaches to gain better understanding of their physical properties. This article presents a comprehensive review of the research advancements in measuring the electronic orbits and corresponding energy levels of colloidal quantum dots in various systems using STM and STS. The first three sections introduce the basic principles of colloidal quantum dots synthesis and the fundamental methodology of STM research on quantum dots. The fourth section explores the latest progress in the application of STM for colloidal quantum dot studies. Finally, a summary and prospective is presented.