bluuebunny/crossref_metadata_2025 huggingface dataset:
Memory type Max-EWMA control chart for the Weibull process under the Bayesian theory
Authors: Noor-ul-Amin Muhammad , Khan Imad , Iqbal Javed , Rasheed Zahid , Ismail Emad A. A. , Ahmad Bakhtyar
Published: February 2024

The simultaneous monitoring of both process mean and dispersion, particularly in normal processes, has garnered significant attention within the field. In this article, we present a new Bayesian Max-EWMA control chart that is intended to track a non-normal process mean and dispersion simultaneously. This is accomplished through the utilization of the inverse response function, especially in cases where the procedure follows a Weibull distribution. We used the average run length (ARL) and the standard deviation of run length (SDRL) to assess the efficacy of our suggested control chart. Next, we contrast our suggested control chart's performance with an already-existing Max-EWMA control chart. Our results show that compared to the control chart under consideration, the proposed control chart exhibits a higher degree of sensitivity. Finally, we present a useful case study centered around the hard-bake process in the semiconductor manufacturing sector to demonstrate the performance of our Bayesian Max-EWMA control chart under different Loss Functions (LFs) for a Weibull process. The case study highlights how flexible the chart is to various situations. Our results offer strong proof of the outstanding ability of the Bayesian Max-EWMA control chart to quickly identify out-of-control signals during the hard-bake procedure. This in turn significantly contributes to the enhancement of process monitoring and quality control.
Monitoring underwater volcano degassing using fiber-optic sensing
Authors: Caudron Corentin , Miao Yaolin , Spica Zack J. , Wollin Christopher , Haberland Christian , Jousset Philippe , Yates Alexander , Vandemeulebrouck Jean , Schmidt Bernd , Krawczyk Charlotte , Dahm Torsten
Published: February 2024

Continuous monitoring of volcanic gas emissions is crucial for understanding volcanic activity and potential eruptions. However, emissions of volcanic gases underwater are infrequently studied or quantified. This study explores the potential of Distributed Acoustic Sensing (DAS) technology to monitor underwater volcanic degassing. DAS converts fiber-optic cables into high-resolution vibration recording arrays, providing measurements at unprecedented spatio-temporal resolution. We conducted an experiment at Laacher See volcano in Germany, immersing a fiber-optic cable in the lake and interrogating it with a DAS system. We detected and analyzed numerous acoustic signals that we associated with bubble emissions in different lake areas. Three types of text-book bubbles exhibiting characteristic waveforms are all found from our detections, indicating different nucleation processes and bubble sizes. Using clustering algorithms, we classified bubble events into four distinct clusters based on their temporal and spectral characteristics. The temporal distribution of the events provided insights into the evolution of gas seepage patterns. This technology has the potential to revolutionize underwater degassing monitoring and provide valuable information for studying volcanic processes and estimating gas emissions. Furthermore, DAS can be applied to other applications, such as monitoring underwater carbon capture and storage operations or methane leaks associated with climate change.
Synthesis, docking, MD simulation, ADMET, drug likeness, and DFT studies of novel furo[2,3-b]indol-3a-ol as promising Cyclin-dependent kinase 2 inhibitors
Authors: Gheidari Davood , Mehrdad Morteza , Bayat Mohammad
Published: February 2024

A new series of furo[2,3-b]indol-3a-ol derivatives was synthesized to investigate their potential as inhibitors of the Cyclin-dependent kinase 2 (CDK2) enzyme. CDK2 is a serine/threonine protein kinase belonging to a family of kinases involved in the control of the cell cycle. Based on results from clinical studies, it has been shown that overexpression of CDK2 may play a role in the development of cancer. In order to discover highly effective derivatives, a process of in silico screening was carried out. The obtained results revealed that compound 3f. had excellent binding energies. In this study, in silico screening was used to investigate protein–ligand interactions and assess the stability of the most favorable conformation. The methods utilized included molecular docking, density functional theory (DFT) calculations using the B3LYP/6-31++G(d,p) basis set in the gas phase, molecular dynamic (MD) simulation, as well as the evaluation of drug-likeness scores. The pharmacokinetic and drug-likeness properties of the novel furo[2,3-b]indol-3a-ol derivatives suggest that these compounds have the potential to be considered viable candidates for future development as anticancer drugs.
Efficient CO2 adsorption using chitosan, graphene oxide, and zinc oxide composite
Authors: Fathalian Farnoush , Moghadamzadeh Hamidreza , Hemmati Alireza , Ghaemi Ahad
Published: February 2024

This study was deeply focused on developing a novel CTS/GO/ZnO composite as an efficient adsorbent for CO2 adsorption process. To do so, design of experiment (DOE) was done based on RSM-BBD technique and according to the DOE runs, various CTS/GO/ZnO samples were synthesized with different GO loading (in the range of 0 wt% to 20 wt%) and different ZnO nanoparticle’s loading (in the range of 0 wt% to 20 wt%). A volumetric adsorption setup was used to investigate the effect of temperature (in the range of 25–65 °C) and pressure (in the range of 1–9 bar) on the obtained samples CO2 uptake capability. A quadratic model was developed based on the RSM-BBD method to predict the CO2 adsorption capacity of the composite sample within design space. In addition, CO2 adsorption process optimization was conducted and the optimum values of the GO, ZnO, temperature, and pressure were obtained around 23.8 wt%, 18.2 wt%, 30.1 °C, and 8.6 bar, respectively, with the highest CO2 uptake capacity of 470.43 mg/g. Moreover, isotherm and kinetic modeling of the CO2 uptake process were conducted and the Freundlich model (R2 = 0.99) and fractional order model (R2 = 0.99) were obtained as the most appropriate isotherm and kinetic models, respectively. Also, thermodynamic analysis of the adsorption was done and the ∆H°, ∆S°, and ∆G° values were obtained around − 19.121 kJ/mol, − 0.032 kJ/mol K, and − 9.608 kJ/mol, respectively, indicating exothermic, spontaneously, and physically adsorption of the CO2 molecules on the CTS/GO/ZnO composite’s surface. Finally, a renewability study was conducted and a minor loss in the CO2 adsorption efficiency of about 4.35% was obtained after ten cycles, demonstrating the resulting adsorbent has good performance and robustness for industrial CO2 capture purposes.
Collusion risk in corporate networks
Authors: Villamil Isabela , Kertész János , Fazekas Mihály
Published: February 2024

Collusion among economic operators increases prices, reduces product quality, and hinders innovation. Structural links can affect the incentive and ability of firms to behave competitively by facilitating collusion. We use a network-based approach to study the relationship between ownership links and bidding behavior in procurement markets. We build temporal multiplex networks based on firms’ ownership and co-bidding ties to find network measures that may signal collusion risk. We test four network measures, two at market-level (density and average harmonic closeness centrality) and two at firm-level (degree centrality and harmonic closeness centrality). Using data on public procurement contracts awarded in Sweden from 2010 to 2015, we found higher incidence of single bidding in markets that are more closely related through ownership links. Missing bidders are also more likely in these markets. Single bidding and missing bidders may indicate the presence of collusive arrangements such as of bid suppression or rotation. For the firm-level analyses, our results showed a positive relationship between winning probability and centrality in the ownership network. A similar result was obtained for cut-point position, indicating that firms that are more closely connected to other firms through ownership links have a more important position in the co-bidding network and are also more likely to win contracts.
A convolutional neural network to identify mosquito species (Diptera: Culicidae) of the genus Aedes by wing images
Authors: Sauer Felix G. , Werny Moritz , Nolte Kristopher , Villacañas de Castro Carmen , Becker Norbert , Kiel Ellen , Lühken Renke
Published: February 2024

Accurate species identification is crucial to assess the medical relevance of a mosquito specimen, but requires intensive experience of the observers and well-equipped laboratories. In this proof-of-concept study, we developed a convolutional neural network (CNN) to identify seven Aedes species by wing images, only. While previous studies used images of the whole mosquito body, the nearly two-dimensional wings may facilitate standardized image capture and reduce the complexity of the CNN implementation. Mosquitoes were sampled from different sites in Germany. Their wings were mounted and photographed with a professional stereomicroscope. The data set consisted of 1155 wing images from seven Aedes species as well as 554 wings from different non-Aedes mosquitoes. A CNN was trained to differentiate between Aedes and non-Aedes mosquitoes and to classify the seven Aedes species based on grayscale and RGB images. Image processing, data augmentation, training, validation and testing were conducted in python using deep-learning framework PyTorch. Our best-performing CNN configuration achieved a macro F1 score of 99% to discriminate Aedes from non-Aedes mosquito species. The mean macro F1 score to predict the Aedes species was 90% for grayscale images and 91% for RGB images. In conclusion, wing images are sufficient to identify mosquito species by CNNs.
Early sleep after action observation plus motor imagery improves gait and balance abilities in older adults
Authors: Temporiti Federico , Galbiati Elena , Bianchi Francesco , Bianchi Anna Maria , Galli Manuela , Gatti Roberto
Published: February 2024

Action observation plus motor imagery (AOMI) is a rehabilitative approach to improve gait and balance performance. However, limited benefits have been reported in older adults. Early sleep after motor practice represents a strategy to enhance the consolidation of trained skills. Here, we investigated the effects of AOMI followed by early sleep on gait and balance performance in older adults. Forty-five older adults (mean age: 70.4 ± 5.2 years) were randomized into three groups performing a 3-week training. Specifically, AOMI-sleep and AOMI-control groups underwent observation and motor imagery of gait and balance tasks between 8:00 and 10:00 p.m. or between 8:00 and 10:00 a.m. respectively, whereas Control group observed landscape video-clips. Participants were assessed for gait performance, static and dynamic balance and fear of falling before and after training and at 1-month follow-up. The results revealed that early sleep after AOMI training sessions improved gait and balance abilities in older adults compared to AOMI-control and Control groups. Furthermore, these benefits were retained at 1-month after the training end. These findings suggested that early sleep after AOMI may represent a safe and easy-applicable intervention to minimize the functional decay in older adults.
Exploring the paradoxical nature of cold temperature mortality in Europe
Authors: Walkowiak Marcin Piotr , Walkowiak Dariusz , Walkowiak Jarosław
Published: February 2024

While low winter temperatures are associated with increased mortality, this phenomenon has been suggested to be most severe in regions with seemingly mild winters. The study aimed to establish a temperature-based formula that could elucidate the previously ambiguous regional differences in vulnerability to low temperature. European weekly mortality data (2000–2019) were matched with meteorological data to determine for each region vulnerability to temperature decrease and the optimal temperature with lowest mortality. Regression models were developed to generalize and explain these findings considering regional temperature characteristics. Optimal temperature could be predicted based on local average summer temperature (R2 = 85.6%). Regional vulnerability to temperature decrease could be explained by combination of winter and summer temperatures (R2 = 86.1%). Regions with warm winters and cold summers showed the highest vulnerability to decrease of temperature during winter. Contrary to theories about economic disparities Eastern Europe exhibited resistance comparable to Scandinavia. The southern edges of Europe demonstrated serious low temperature vulnerability to decreased temperatures, even if temperature was relatively high around 20 °C. This suggests that the observed connection primarily reflects the modulation of the length of respiratory virus infection seasons by climate conditions, counterbalanced by varying levels of acquired immunity and the presence of heatwaves eliminating the most frail individuals. Thus, relatively low vulnerability and a flat mortality cycle in countries with harsh climates paradoxically imply the presence of threats throughout the whole year.
Optimizing dynamic economic dispatch through an enhanced Cheetah-inspired algorithm for integrated renewable energy and demand-side management
Authors: Nagarajan Karthik , Rajagopalan Arul , Bajaj Mohit , Sitharthan R. , Dost Mohammadi Shir Ahmad , Blazek Vojtech
Published: February 2024

This study presents the Enhanced Cheetah Optimizer Algorithm (ECOA) designed to tackle the intricate real-world challenges of dynamic economic dispatch (DED). These complexities encompass demand-side management (DSM), integration of non-conventional energy sources, and the utilization of pumped-storage hydroelectric units. Acknowledging the variability of solar and wind energy sources and the existence of a pumped-storage hydroelectric system, this study integrates a solar-wind-thermal energy system. The DSM program not only enhances power grid security but also lowers operational costs. The research addresses the DED problem with and without DSM implementation to analyze its impact. Demonstrating effectiveness on two test systems, the suggested method's efficacy is showcased. The recommended method's simulation results have been compared to those obtained using Cheetah Optimizer Algorithm (COA) and Grey Wolf Optimizer. The optimization results indicate that, for both the 10-unit and 20-unit systems, the proposed ECOA algorithm achieves savings of 0.24% and 0.43%, respectively, in operation costs when Dynamic Economic Dispatch is conducted with Demand-Side Management (DSM). This underscores the advantageous capability of DSM in minimizing costs and enhancing the economic efficiency of the power systems. Our ECOA has greater adaptability and reliability, making it a promising solution for addressing multi-objective energy management difficulties within microgrids, particularly when demand response mechanisms are incorporated. Furthermore, the suggested ECOA has the ability to elucidate the multi-objective dynamic optimal power flow problem in IEEE standard test systems, particularly when electric vehicles and renewable energy sources are integrated.
Artificial intelligence framework for heart disease classification from audio signals
Authors: Abbas Sidra , Ojo Stephen , Al Hejaili Abdullah , Sampedro Gabriel Avelino , Almadhor Ahmad , Zaidi Monji Mohamed , Kryvinska Natalia
Published: February 2024

As cardiovascular disorders are prevalent, there is a growing demand for reliable and precise diagnostic methods within this domain. Audio signal-based heart disease detection is a promising area of research that leverages sound signals generated by the heart to identify and diagnose cardiovascular disorders. Machine learning (ML) and deep learning (DL) techniques are pivotal in classifying and identifying heart disease from audio signals. This study investigates ML and DL techniques to detect heart disease by analyzing noisy sound signals. This study employed two subsets of datasets from the PASCAL CHALLENGE having real heart audios. The research process and visually depict signals using spectrograms and Mel-Frequency Cepstral Coefficients (MFCCs). We employ data augmentation to improve the model’s performance by introducing synthetic noise to the heart sound signals. In addition, a feature ensembler is developed to integrate various audio feature extraction techniques. Several machine learning and deep learning classifiers are utilized for heart disease detection. Among the numerous models studied and previous study findings, the multilayer perceptron model performed best, with an accuracy rate of 95.65%. This study demonstrates the potential of this methodology in accurately detecting heart disease from sound signals. These findings present promising opportunities for enhancing medical diagnosis and patient care.
Marine heatwave events strengthen the intensity of tropical cyclones
Authors: Choi Hwan-Young , Park Myung-Sook , Kim Hyeong-Seog , Lee Seonju
Published: February 2024

Marine heatwaves become more frequent and stronger due to global warming. It is necessary to clarify how and by which process marine heatwaves affect marine weather systems. Here, we examine how marine heatwaves strengthen tropical cyclones. We analyze 128 tropical cyclones that intensified with marine heatwaves and 184 tropical cyclones that intensified without marine heatwaves over the western North Pacific and Atlantic. Marine heatwaves finally lead to a maximum intensity of 35.4% stronger (106.72 kts) tropical cyclone. Notably, satellite data reveal that marine heatwaves are associated with precipitation-richer tropical cyclone conditions despite similar tropical cyclone intensities. Due to the increased latent heat flux during marine heatwaves, intensified precipitation near the tropical cyclone center contributes to the intensification process. This study provides insights into how more frequent marine heatwaves by global warming impact tropical cyclones.
Towards (better) fluvial meta-ecosystem ecology: a research perspective
Authors: Talluto Lauren , del Campo Rubén , Estévez Edurne , Altermatt Florian , Datry Thibault , Singer Gabriel
Published: February 2024

Rivers are an important component of the global carbon cycle and contribute to atmospheric carbon exchange disproportionately to their total surface area. Largely, this is because rivers efficiently mobilize, transport and metabolize terrigenous organic matter (OM). Notably, our knowledge about the magnitude of globally relevant carbon fluxes strongly contrasts with our lack of understanding of the underlying processes that transform OM. Ultimately, OM processing en route to the oceans results from a diverse assemblage of consumers interacting with an equally diverse pool of resources in a spatially complex network of heterogeneous riverine habitats. To understand this interaction between consumers and OM, we must therefore account for spatial configuration, connectivity, and landscape context at scales ranging from local ecosystems to entire networks. Building such a spatially explicit framework of fluvial OM processing across scales may also help us to better predict poorly understood anthropogenic impacts on fluvial carbon cycling, for instance human-induced fragmentation and changes to flow regimes, including intermittence. Moreover, this framework must also account for the current unprecedented human-driven loss of biodiversity. This loss is at least partly due to mechanisms operating across spatial scales, such as interference with migration and habitat homogenization, and comes with largely unknown functional consequences. We advocate here for a comprehensive framework for fluvial networks connecting two spatially aware but disparate lines of research on (i) riverine metacommunities and biodiversity, and (ii) the biogeochemistry of rivers and their contribution to the global carbon cycle. We argue for a research agenda focusing on the regional scale—that is, of the entire river network—to enable a deeper mechanistic understanding of naturally arising biodiversity–ecosystem functioning coupling as a major driver of biogeochemically relevant riverine carbon fluxes.
Turn-off/turn-on biosensing of tetracycline and ciprofloxacin antibiotics using fluorescent iron oxide quantum dots
Authors: Sudewi Sri , Li Chien-Hung , Chabib Lutfi , Rasool Akhtar , Arputharaj Emmanuvel , Zulfajri Muhammad , Huang Genin Gary
Published: February 2024

A fluorescence probe based on iron oxide quantum dots (IO-QDs) was synthesized using the hydrothermal method for the determination of tetracycline (TCy) and ciprofloxacin (CPx) in aqueous solution.
Robust binding between secondary amines and Au electrodes
Authors: Guo Weiyi , Quainoo Timothy , Liu Zhen-Fei , Li Haixing
Published: February 2024

A robust binding between secondary amines and Au atomic contacts is achieved through the creation of Au adatoms by the use of a wax-coated tip.
Transition-metal-free intramolecular double hydrofunctionalization of alkyne to access 6/7/5-fused heterocyclic skeletons
Authors: Aghaie Kimia , Amiri Kamran , Rezaei-Gohar Mohammad , Rominger Frank , Dar’in Dmitry , Sapegin Alexander , Balalaie Saeed
Published: February 2024

We have disclosed a novel functionalized isonitrile scaffold containing alkyne moiety and designed a new intramolecular double hydrofunctionalization cyclization of alkyne, that affords access to valuable 6/7/5-fused heterocyclic scaffolds.
Sustainable release of LiNO3 in carbonate electrolytes for stable lithium metal anodes
Authors: Li Siyu , Liu Yuhang , Wang Ke , Hu Xiaoqi , Guan Wanqing , Du Zhuzhu , Du Hongfang , Ai Wei
Published: February 2024

A bilayer separator comprising a polypropylene layer and a polyacrylonitrile layer infused with LiNO3 was fabricated, which improves the content of LiNO3 in carbonate electrolytes and enhances the longevity of lithium metal batteries.
Nickel-catalysed chelation-assisted reductive defluorinative sulfenylation of trifluoropropionic acid derivatives
Authors: Guan Yu-Qiu , Qiao Jia-Fan , Liang Yu-Feng
Published: February 2024

Nickel-catalysed chelation-assisted reductive cross-coupling of trifluoropropanamides/esters with disulfides to afford thioacrylamides/esters with high E selectivity, involving triple C–F bond cleavage.
Divergent synthesis of carbamates and N-methyl carbamates from dimethyl carbonate and nitroarenes with Mo(CO)6 as a multiple promoter
Authors: An Tongshun , Liu Chenwei , Yuan Weiheng , Qin Xiaowen , Yin Zhiping
Published: February 2024

A switchable base-controlled divergent synthesis of carbamates and N-methyl carbamates from nitroarenes and dialkyl carbonates was realized by using Mo(CO)6 as a multiple promoter.
Contrasting the stability, octahedral distortions, and optoelectronic properties of 3D MABX3 and 2D (BA)2(MA)B2X7 (B = Ge, Sn, Pb; X = Cl, Br, I) perovskites
Authors: Danelon João G. , Santos Ramiro M. , Dias Alexandre C. , Da Silva Juarez L. F. , Lima Matheus P.
Published: February 2024

Comparative analysis of 2D and 3D MA-based perovskites: exploring optoelectronic properties for enhanced photovoltaics.
Unraveling the role of superalkalis in modulating the static and dynamic hyperpolarizabilities of emerging calix[4]arenes
Authors: Khalil Khalida , Shahnaz  , Ludwig Ralf , Tighezza Ammar M. , Ayub Khurshid , Mahmood Tariq , Gilani Mazhar Amjad
Published: February 2024

Calixarenes, as novel organic materials, can play a pivotal role in the development of high-performance nonlinear optical materials due to the ease of design and fabrication.
High-temperature superconductivities and crucial factors influencing the stability of LaThH12 under moderate pressures
Authors: Liu Pengye , Zhao Wendi , Liu Zhao , Pan Yilong , Duan Defang , Cui Tian
Published: February 2024

The dual effects of enhanced ionic bonding and expanded orbital hybridization between orbitals during depressurization are primary factors governing the dynamic stability of hydrides at low pressures.
Non-monotonic Soret coefficients of aqueous LiCl solutions with varying concentrations
Authors: Lee Namkyu , Mohanakumar Shilpa , Briels W. J. , Wiegand Simone
Published: February 2024

The Soret coefficients’ minimum is due to a minimum in the thermodynamic factor at low concentrations outside the experimental range. This minimum shifts into the experimental range when multiplied by the negative Onsager ratio.
Substrate-induced strain and exchange field effects on the electronic and thermal properties of monolayer β12-borophene
Authors: Hoi Bui Dinh , Phuong Le Thi Thu , Dung Pham Viet , Phong Tran Cong
Published: February 2024

We methodically investigate the impact of substrate-induced strain and exchange field effects on the electronic density of states and electronic heat capacity of single-layer β12-borophene.
Temperature-dependent decomposition of the CL-20/MTNP cocrystal after phase separation
Authors: Yang Fang , Yang Zongwei , Yu Qian , Liu Zhongping , Li Gang , Zhao Chuande , Tian Yong
Published: February 2024

The thermal decomposition of CL-20/MTNP was identified to be a typical heterogeneous reaction with phase separation before decomposition, and the subsequent decomposition was strongly temperature-dependent.
Chemical multiscale robotics for bacterial biofilm treatment
Authors: Mayorga-Martinez Carmen C. , Zhang Li , Pumera Martin
Published: February 2024

This tutorial review describes key milestones in the strategies developed to remove and eradicate bacterial biofilms using robots of different sizes and shapes.
Hydrogen energy futures – foraging or farming?
Authors: Hassanpouryouzband Aliakbar , Wilkinson Mark , Haszeldine R. Stuart
Published: February 2024

Combined geochemical and microbial processes offer a transformative approach to sustainable subsurface hydrogen production.
Endohedral metallofullerene molecular nanomagnets
Authors: Hu Ziqi , Yang Shangfeng
Published: February 2024

This review summarizes the significant advances in endohedral metallofullerene-based molecular nanomagnets, with a particular emphasis on their unique structures and intriguing magnetic properties arising from such structural peculiarity.
Physics-informed models of domain wall dynamics as a route for autonomous domain wall design via reinforcement learning
Authors: Smith Benjamin R. , Pant Bharat , Liu Yongtao , Liu Yu-Chen , Yang Jan-Chi , Jesse Stephen , Khojandi Anahita , Kalinin Sergei V. , Cao Ye , Vasudevan Rama K.
Published: February 2024

Prompted by limited available data, we explore data-aggregation strategies for material datasets, aiming to boost machine learning performance. Our findings suggest that intuitive aggregation schemes are ineffective in enhancing predictive accuracy.
The effect of magnetic coupling along the magnetic axis on slow magnetic relaxation in DyIII complexes with D5h configuration based on an aggregation-induced-emission-active ligand
Authors: Yao Min-Xia , Gao Yu-Qi , An Zhong-Wu , Zhu Dong-Mei
Published: February 2024

By using an aggregation-induced-emission-active ligand, four dinuclear and one one-dimensional complexes based on Dy2 unit with D5h configuration were obtained. All complexes display significant slow magnetic relaxation behavior under zero dc field.
Continuous-time binding kinetics of graphene oxide quantum dots and lipid bilayers dominated by hydrogen bonding: effect of nanoparticles' protein corona and membrane components
Authors: Ren Chaoxiu , Wang Kaili , Ge Xinran , Wu Tao , Zhou Qixing
Published: February 2024

Binding of graphene oxide quantum dots to model membranes is hampered by cholesterol, ganglioside GM1 and protein corona, which is dominated by hydrogen bonding. This study might have implications in studies of the nanotoxicity at atomic resolution.
Gut microbiota modulation and effects of a diet enriched in apple pomace on inflammation in a DSS-induced colitis mouse model
Authors: Calvete-Torre Inés , Sabater Carlos , Cantabrana Begoña , Margolles Abelardo , Sánchez Manuel , Ruiz Lorena
Published: February 2024

A diet enriched in apple pomace in a DSS-induced colitis mice model ameliorated inflammation markers and disease activity, and modulated the intestinal microbiota.
An integrative sustainability assessment of the Tsuji–Trost reaction simulating allylic amination under non-conventional (vs. conventional) conditions
Authors: Shinde Sangita Dattatray , Vaidya Gargi Nikhil , Lokhande Shyam Kumar , Shaha Anil , Choudhary Ramesh Hiralal , Kumar Dinesh
Published: February 2024

The article describes sustainability aspects of the Tsuji-Trost reaction in terms of productivity (reactivity-coupled utility), side reaction assessment, and environmental impact of allylic precursors.
Introducing thermo-mechanochemistry of lignin enabled the production of high-quality low-cost carbon fiber
Authors: Luo Yixin , Razzaq Moham Ed Abdur , Qu Wangda , Mohammed Abdulrahman A. B. A. , Aui Alvina , Zobeiri Hamidreza , Wright Mark Mba , Wang Xinwei , Bai Xianglan
Published: February 2024

A surprisingly simple approach to increasing the mechanical properties of lignin-based carbon fiber by leveraging a newly discovered thermo-mechanochemistry of lignin.
Composition–property relationships of choline based eutectic solvents: impact of the hydrogen bond donor and CO2 saturation
Authors: Dikki Ruth , Khokhar Vaishali , Zeeshan Muhammad , Bhattacharjee Sanchari , Coskun Oguz Kagan , Getman Rachel , Gurkan Burcu
Published: February 2024

Choline based eutectic solvents are developed for CO2 capture. The physical properties as a function of the H-bond donor and acceptor components are examined. Accordingly, molecular descriptors are identified for future property predictions.
Determination of ultra-trace level Cr(vi) in seawater using large-volume direct injection by LC-ICP-MS with in-line matrix elimination
Authors: Yao Zhenzhen , Li Bingru , Ma Zhihong , Wang Beihong
Published: February 2024

A method to improve the sensitivity of LC-ICP-MS for the determination of hexavalent chromium (Cr(vi)) in seawater by using the large volume injection and in-line matrix elimination.
Composite lithium conducting solid electrolytes based on zwitterionic plastic crystals and polymer nanoparticles
Authors: Makhlooghiazad Faezeh , Porcarelli Luca , Mecerreyes David , Forsyth Maria , O’Dell Luke A. , Pringle Jennifer M.
Published: February 2024

Zwitterion-based composites, formed using lithium sulfonamide-functionalized polymer nanoparticles, are promising materials for the development of solid-state electrolytes for next-generation energy storage devices, with improved safety.
Synthesis of and iodine capture with MSx (Ag2S, Bi2S3, Cu2S)–polyacrylonitrile composites
Authors: Riley Brian J , Chong Saehwa , Canfield Nathan L.
Published: February 2024

This work demonstrates polyacrylonitrile composites for iodine capture using promising metal-sulfide (Ag2S, Bi2S3, Cu2S) compounds as the active gettering agents.
Bridge percolation: electrical connectivity of discontinued conducting slabs by metallic nanowires
Authors: Baret A. , Bardet L. , Oser D. , Langley D. P. , Balty F. , Bellet D. , Nguyen N. D.
Published: February 2024

A novel composite material is introduced and its unique electrical conduction properties are investigated using the original concept of bridge percolation. The study provides key insights into its percolation and resistive scaling behaviors.
Engineering ssRNA tile filaments for (dis)assembly and membrane binding
Authors: De Franceschi Nicola , Hoogenberg Baukje , Katan Allard , Dekker Cees
Published: February 2024

Functionalized ssRNA tiles can form filaments that mimic functions of natural cytoskeleton filaments as they can assemble/disassemble, tune the filament stiffness, induce membrane binding, and bind proteins.
Δ-Keto-acid/hydroxy-lactone isomerization in some lichen depsides, depsidones and diphenyl ethers
Authors: Uriac Philippe , Ferron Solenn , Jehan Philippe , Roisnel Thierry , Tomasi Sophie
Published: February 2024

NMR spectroscopy and reactivity studies of seven lichens metabolites showed that the substituent in C2′ controls the δ-keto-acid(ka)/hydroxy-lactone(hl) equilibrium: ka is obtained with an H-bond acceptor (OCH3) and hl with an H-bond donor (OH).
In situ SAXS investigation of vinyl acetate polymerization-induced self-assembly
Authors: Brunel Fabrice , Galanopoulo Paul , Espinosa Rodriguez Edgar , Lansalot Muriel , D'Agosto Franck
Published: February 2024

In situ small angle X-ray scattering (SAXS) was used to investigate the formation of higher-order morphologies in vinyl acetate (VAc) polymerization-induced self-assembly (PISA).
Interfacial engineering of heterostructured CoTe@FeOOH nanoarrays with tailored d-band centers for electrocatalytic oxygen evolution
Authors: Liu Jiangying , Ai Taotao , Bao Weiwei , Han Jie , Zhang Junjun , Yang Mameng , Wei Xueling , Zou Xiangyu , Feng Liangliang
Published: February 2024

CoTe@FeOOH heterostructured catalysts with unique 3D nanostructures were successfully constructed on nickel foam by hydrothermal and fast interfacial methods and exhibited excellent OER performance and stability in alkaline media.
Chemoenzymatic synthesis of optically active α-cyclopropyl-pyruvates and cyclobutenoates via enzyme-catalyzed carbene transfer with diazopyruvate
Authors: Dollet Raphaël , Villada Juan D. , Poisson Thomas , Fasan Rudi , Jubault Philippe
Published: February 2024

Development of a first biocatalytic strategy for cyclopropanation using ethyl α-diazopyruvate.
Factors associated with chemistry faculty members’ cooperative adoption of evidence-based instructional practices: results from a national survey
Authors: Connor Megan C. , Raker Jeffrey R.
Published: February 2024

Despite institutional reform efforts to increase use of evidence-based instructional practices (EBIPs) in undergraduate chemistry and STEM courses, didactic lecture remains the predominant mode of instruction. Research to inform these initiatives routinely focuses on drivers and barriers to EBIP adoption, with recent work investigating factors associated with faculty members’ cooperative adoption of EBIPs from five STEM disciplines including chemistry. To understand the role of these specific factors within undergraduate chemistry education across a broad set of institutions, we conducted a national survey of chemistry faculty members (n = 1105) from the United States in Spring 2023. The survey targeted constructs that may underlie the cooperative adoption of EBIPs, including faculty members’ perception of (1) using EBIPs as mutually beneficial, (2) having their success and failure intertwined, and (3) institutional climate around teaching. The survey also included items targeting teaching-specific social interactions, another potential aspect of cooperative adoption. Results from multilevel modeling suggest that EBIP adoption is associated with chemistry faculty members’ perception of using EBIPs as mutually beneficial, aligning with prior findings on STEM faculty members’ cooperative adoption of these practices. However, there is no evidence of an association between EBIP adoption and chemistry faculty members’ perception of campus climate around teaching, where prior findings indicate an inverse association among STEM faculty members. Results further indicate that EBIP adoption is associated with the number of people with whom one specifically discusses pedagogy, instruction, and assessment. Collectively, our results demonstrate that differences exist between STEM disciplines and point toward the chemistry education research community's responsibility to further explore EBIP adoption from a disciplinary lens. Our investigation also provides insight into factors associated with the cooperative adoption of EBIPs among chemistry faculty members on a national level; we identify several implications for how chemistry faculty member change agents (e.g., course coordinators, department leaders) may effectively promote EBIP adoption across the undergraduate chemistry curriculum.
Laser induced temperature-jump time resolved IR spectroscopy of zeolites
Authors: Hawkins Alexander P. , Edmeades Amy E. , Hutchison Christopher D. M. , Towrie Michael , Howe Russell F. , Greetham Gregory M. , Donaldson Paul M.
Published: February 2024

Laser heating of zeolites in combination with time-resolved IR spectroscopy is introduced as a means of studying chemical processes in heterogeneous catalysts from nanoseconds to seconds.
Polar alcohol guest molecules regulate the stacking modes of 2-D MOF nanosheets
Authors: Cheng Yue , Tang Wen-Qi , Geng Lu-Ting , Xu Ming , Zhu Jian-Ping , Meng Sha-Sha , Gu Zhi-Yuan
Published: February 2024

Polar alcohol guest molecules strategy was proposed to modulate the stacking modes of 2-D MOF nanosheets.
Elucidating the influence of electrostatic force on the re-arrangement of H-bonds of protein polymers in the presence of salts
Authors: Basu Tithi , Das Sougat , Majumdar Saptarshi
Published: February 2024

The breakage and reformation of H-bonds in proteins are observed in the presence of salts due to the impact of electrostatic forces induced by salts. The α-helix structures break into β-sheets and further into random structures at high salt concentrations.
Self-assembly of rigid amphiphilic graft cyclic-brush copolymers to nanochannels using dissipative particle dynamics simulation
Authors: Du Meng , Yan Xinrong , Zhao Nanrong , Wang Xin , Xu Dingguo
Published: February 2024

Dissipative particle dynamics simulations were applied to explore the self-assembly mechanism of amphiphilic graft cyclic-brush copolymers into nanochannels.
Detection and discrimination of glutathione among biological thiols based on oxalyl dihydrazide decorated sulfur nanodots
Authors: Xing Yifei , Zhu Sha , Li Jiayue , Li Wei , Wang Zhenguang , Shi Yu-e
Published: February 2024

The quantitative detection and discrimination of glutathione (GSH) were achieved based on oxalyl dihydrazide (ODH) decorated sulfur nanodots.
IR spectroscopic characterization of 3d transition metal carbene cations, FeCH2+ and CoCH2+: periodic trends and a challenge for DFT approaches
Authors: Wensink Frank J. , Smink Corry E. , Armentrout P. B. , Bakker Joost M.
Published: February 2024

A combination of IR multiple-photon dissociation (IRMPD) action spectroscopy and quantum chemical calculations was employed to investigate the [M,C,2H]+ (M = Fe and Co) species.
Mixed valence triiron complexes from the conjugation of [FeIFeI] and [FeII] complexes via intermolecular carbyne/alkyne coupling
Authors: Bresciani Giulio , Ciancaleoni Gianluca , Zacchini Stefano , Biancalana Lorenzo , Pampaloni Guido , Funaioli Tiziana , Marchetti Fabio
Published: February 2024

The cooperative behavior of a diiron framework enabled the synthesis of triiron complexes, where the iron centers are in two different oxidation states, achieved by linking two hydrocarbyl ligands and resulting in an innovative ligand configuration.
Tandem templating strategies facilitate the assembly of calix[8]arene-supported Ln18 clusters
Authors: Jiao Yushu , Sanz Sergio , van Leusen Jan , Gracia David , Canaj Angelos B. , Evangelisti Marco , Brechin Euan K. , Dalgarno Scott J. , Kögerler Paul
Published: February 2024

High-symmetry LnIII18 coordination complexes capped by two calix[8]arenes are templated by a central chloride ion, where the Gd derivative has potential to be a magnetorefrigerant.
Reaction dynamics of S(3P) with 1,3-butadiene and isoprene: crossed-beam scattering, low-temperature flow experiments, and high-level electronic structure calculations
Authors: Lang Jinxin , Foley Casey D. , Thawoos Shameemah , Behzadfar Abbas , Liu Yanan , Zádor Judit , Suits Arthur G.
Published: February 2024

Crossed-beam velocity map imaging, chirped-pulse mmWave spectroscopy, and automated electronic structure calculations are used to investigate the reaction of ground-state sulfur atoms with 1,3-butadiene and isoprene.
Trifluoromethyl-pyridine carboxylic acid Zn(ii) complexes: isomeric effects on coordination and biological activity
Authors: Zhu Xiaoshuang , Yang Yanhong , Li Bing , Liang Jiawei , Fu Shoufeng , Wu Hongyan , He Jiaxing , Chen Xiaoyan
Published: February 2024

Due to the isomerization effect of ligands, the coordination patterns of two Zn(ii) complexes and the binding activity with BSA and CT-DNA are changed. Chelate effect increases the binding properties of the complexes with biological macromolecules.
A Pd-labile fluoroquinolone prodrug efficiently prevents biofilm formation on coated surfaces
Authors: Braun Josef , Ortega-Liebana M. Carmen , Unciti-Broceta Asier , Sieber Stephan A.
Published: February 2024

We introduce hydrogel-coated surfaces loaded with tailored Pd-nanosheets which catalyze the release of antibiotics from inactive prodrugs to prevent the formation of Staphylococcus aureus biofilms.
Synthesis of pyrazino[1,2-b]indazoles via cascade cyclization of indazole aldehydes with propargylic amines
Authors: Wu Zeng-Hui , Qu Heng-Tong , Han Ben-Jun , Yang Jia-Xin , Chang Xiang-Wei , Feng Cheng-Tao
Published: February 2024

A cascade annulation of indazole aldehydes with propargylic amines has been developed to synthesize pyrazino[1,2-b]indazoles under additive-free conditions. Some pyrazino[1,2-b]indazoles exhibit significant antifungal activity.
Nitrogen-doped carbon material NCM-T heterogeneously catalyzed liquid-phase hydrogenation of nitrobenzene to aniline
Authors: Gao Wenxiu , Gao Yongping , Liu Bai , Kang Jianing , Zhang Zhihui , Zhang Min , Zou Yongcun
Published: February 2024

N-doped carbon materials NCM-T are prepared by in situ doping for the heterogeneous catalytic liquid-phase hydrogenation of nitrobenzene to aniline. Changes in the N species conformation and their relationship with catalytic activity are discussed.
TCR β chain repertoire characteristic between healthy human CD4+ and CD8+ T cells
Authors: Li Ge , Chen Yaqiong , Liu Yinji , Gao Zhenfang , Jia Ruiyan , Lv Zhonglin , Li Yuxiang , Wang Zhiding , Han Gencheng
Published: February 2024

T cell is vital in the adaptive immune system, which relays on T-cell receptor (TCR) to recognize and defend against infection and tumors. T cells are mainly divided into well-known CD4+ and CD8+ T cells, which can recognize short peptide antigens presented by major histocompatibility complex (MHC) class II and MHC class I respectively in humoral and cell-mediated immunity. Due to the Human Leukocyte Antigen (HLA) diversity and restriction with peptides complexation, TCRs are quite diverse and complicated. To better elucidate the TCR in humans, the present study shows the difference between the TCR repertoire in CD4+ and CD8+ T cells from 30 healthy donors. The result showed count, clonality, diversity, frequency, and VDJ usage in CD4+ and CD8+ TCR-β repertoire is different, but CDR3 length is not. The Common Clone Cluster result showed that CD4+ and CD8+ TCR repertoires are connected separately between the bodies, which is odd considering the HLA diversity. More knowledge about TCR makes more opportunities for immunotherapy. The TCR repertoire is still a myth for discovery.
Differentiating Language for Students Who Are Deaf or Hard of Hearing: A Practice-Informed Framework for Auditory and Visual Supports
Authors: Wainscott Sarah D. , Spurgin Kelsey
Published: February 2024

Purpose:

Speech-language pathologists (SLPs) serving students who are d/Deaf or hard of hearing (Deaf/hh) and their deaf education counterparts must navigate complexities in language that include modalities that are spoken or signed and proficiency, which is often compromised. This tutorial describes a practice-informed framework that conceptualizes and organizes a continuum of auditory and visual language supports with the aim of informing the practice of the SLP whose training is more inherently focused on spoken language alone, as well as the practice of the teacher of the Deaf/hh (TDHH) who may focus more on visual language supports.

Method:

This product resulted from a need within interdisciplinary, graduate programs for SLPs and TDHHs. Both cohorts required preparation to address the needs of diverse language learners who are Deaf/hh. This tutorial includes a brief review of the challenges in developing language proficiency and describes the complexities of effective service delivery. The process of developing a practice-informed framework for language supports is summarized, referencing established practices in auditory-based and visually based methodologies, identifying parallel practices, and summarizing the practices within a multitiered framework called the Framework of Differentiated Practices for Language Support. Recommendations for use of the framework include guidance on the identification of a student's language modality/ies and proficiency to effectively match students' needs and target supports.

Conclusions:

An examination of established practices in language supports across auditory and visual modalities reveals clear parallels that can be organized into a tiered framework. The result is a reference for differentiating language for the interdisciplinary school team. The parallel supports also provide evidence of similarities in practice across philosophical boundaries as professionals work collaboratively.
Research on industrial risk early warning algorithms based on edge computing and multimodal data
Authors: Su Qiao , Wang Hongsu , Zhao Haiyang , Chu Yan , Li Jie , Lyu Xuan , Li Zijuan
Published: February 2024

To achieve real‐time and effective prediction of industrial site risks, this paper proposes an industrial risk prediction framework for multimodal data based on edge computing. First, the authors gather and annotate industrial risk multimodal data that consist of text descriptions, images, and videos. Then, the authors transfer the data to the edge server, and apply deep learning models such as Bidirectional Encoder Representations from Transformers (BERT), ResNet etc., to extract features and learn representations for text, image, and video data respectively. The authors input the fused feature data into an enhanced long short term memory (LSTM) model and train it on the dataset. Finally, the authors perform the risk prediction based on the collected multimodal data. The experimental results demonstrate that the method proposed in this paper exhibits superior performance, achieving a 1.4% enhancement in predictive accuracy.
Metaheuristic‐based graded objective function strategy for optimal thyristor‐controlled series capacitors estimation in weak distribution systems with uncertain distributed generation
Authors: Mohamed Mohamed Abd‐El‐Hakeem , Kamel Salah , Wulfran Fendzi Mbasso
Published: February 2024

This study proposes an optimal approach for enhancing the quality of a weak electrical power distribution system by utilizing thyristor‐controlled series capacitors (TCSC). The proposed approach considers various system components, including shunt capacitors and distributed generators that rely on renewable energy sources, which are characterized by uncertainty due to changing weather conditions. The proposed system maximizes the benefits of these components by updating its parameters to improve the distribution power system's quality under all operating conditions, which change due to the varying energy generated by the distributed generators and load changes. The optimal TCSC values are calculated for all operating conditions using the Hyper‐Spherical Search with graded objective functions management strategy (HSSA‐GOFMS) algorithm. The GOFMS converts all restrictions into objective functions with limits and prioritizes the search for objectives according to a sequential system of priorities. This strategy prevents the possibility of non‐convergence. The results demonstrate the effectiveness of the proposed approach in improving the performance quality of a weak electrical distribution system. The proposed strategy achieves the target voltage level limits within nominal values, even with the interference of the system with generators distributed at variable power levels. Furthermore, the proposed approach enhances the performance quality of the system under a wide range of load changes.