bluuebunny/crossref_metadata_2025 huggingface dataset:
The evaluation on control potential using X‐ray to irradiate adult Spodoptera frugiperda (Lepidoptera: Noctuidae)
Authors: Sun Xiao‐Ting , He Wei , Jiang Shan , Ge Shi‐Shuai , Chu Bo , Liang Ge‐Mei , Yang Xian‐Ming , Wu Kong‐Ming
Published: November 2024

BACKGROUND

The sterile insect technique (SIT), involving the rearing of larvae for pupation followed by irradiating pupae, is employed for environmentally friendly invasive pest management. Despite its effectiveness, the cost of pupae production poses challenges for small farmers in developing countries. Alternatively, utilizing insect trapping techniques can capture abundant adult insects in their natural habitats, but application potential of adult SIT approach remains unclear.

RESULTS

We used the invasive pest Spodoptera frugiperda (Lepidoptera: Noctuidae) to assess the effectiveness of X‐ray irradiated moths on their sterility rates, mating competitiveness, flight ability, and larval control efficiency in the field. Our findings revealed that optimal X‐ray doses for 1‐, 3‐, and 5‐day‐old adult S. frugiperda were 154, 173, and 180 Gy, respectively. These doses rendered males more than 80.0% infertile and females nearly completely infertile. Significantly, the flight ability of sterilized males remained unaffected by sub‐sterilizing doses of irradiation. Furthermore, in a release ratio of 16:1:1 (irradiated males–unirradiated males–unirradiated females), irradiated males exhibited the highest mating competitiveness (0.79). In the field‐cage experiments, the corrected leaf protection rate and the corrected population decline rate in the 16:1:1 release plot were 60.50% and 74.21%, respectively.

CONCLUSION

These findings suggest that radiation‐induced sterility in adult S. frugiperda holds promise for practical applications, offering a conceptual framework and novel approaches for advancing radiation‐based pest control technology. © 2024 Society of Chemical Industry.
Comprehensive Insights Into the Combinatorial Uses of Selected Phytochemicals in Colorectal Cancer Prevention and Treatment: Isothiocyanates, Quinones, Carotenoids, and Alkaloids
Authors: Deng Xi , Yang Zhongming , Han Mingzhao , Ismail Norsharina , Esa Norhaizan Mohd , Razis Ahmad Faizal Abdull , Bakar Md Zuki Abu , Chan Kim Wei
Published: November 2024

Despite the advancement in cancer diagnosis and treatment, colorectal cancer remains the leading cause of cancer‐related death worldwide. Given the high recurrence rate of colorectal cancer even after surgical resection, chemotherapy has been clinically used to improve the treatment outcomes of colorectal cancer. However, chemotherapy is well‐known for its toxic side effects. Thus, phytochemicals have been widely studied in recent years as preventive and therapeutic agents for colorectal cancer owing to their relatively low toxicity. Moreover, combinatorial uses of phytochemicals with other natural compounds or with drugs may amplify the positive outcomes of colorectal cancer prevention and treatment by intervening in multiple signaling pathways and targets. This review summarized the combinatorial use of several well‐studied groups of phytochemicals, that is, isothiocyanates, quinones, carotenoids, and alkaloids, in the prevention and treatment of colorectal cancer, and suggested it as a potential approach to improve the anticancer efficacy of single compounds and minimize the toxic side effects associated with conventional drugs. Notably, we generalized the in vitro, in vivo, and clinical experiments‐based molecular mechanisms whereby the selected phytochemicals in combination with other compounds exerted anti‐colorectal cancer effects by inhibiting cancer cell proliferation, cell apoptosis, cell invasion, and tumor growth. Overall, this review provides a reference and new perspective to propel further advancements in research and development of preventative and therapeutic strategies for colorectal cancer.
Resveratrol Bioavailability After Oral Administration: A Meta‐Analysis of Clinical Trial Data
Authors: Szymkowiak Izabela , Marcinkowska Justyna , Kucinska Malgorzata , Regulski Milosz , Murias Marek
Published: November 2024

Annually, a growing body of studies substantiates the health advantages of polyphenolic compounds, yet their practical application is constrained by swift metabolism and low bioavailability. Resveratrol, a stilbene derivative showcasing typical polyphenolic traits, is particularly noteworthy. Despite abundant bioavailability data from in vitro and animal studies, applying these findings to humans demands nuanced consideration. The objective of this article is to conduct a meta‐analysis on clinical trial data, systematically assessing the oral bioavailability of resveratrol and deriving meaningful insights into its efficacy in humans. To achieve this goal, we thoroughly examined publications across five major global databases: PubMed, Cochrane Library, Scopus, Embase, and Science Direct. The study exclusively included clinical trials involving healthy adults, where pharmacokinetic parameters were measured following the oral administration of at least one dose of resveratrol as a single preparation. For the meta‐analysis data extraction, the mean score and standard deviation (SD) were included. Heterogeneity, degree of inconsistency between studies, and meta‐regression were assessed. From these searches, we scrutinized data from 84 oral administrations encompassing nine resveratrol doses ranging from 25 to 5000 mg. Our findings indicate a linear increase in the amount of free resveratrol entering the bloodstream with the administered dose, while T
max values remain unaffected. The mean maximum plasma concentration of resveratrol (31.07 ng/mL) closely mirrors the mean C
max observed in the group administered a medium resveratrol dose ranging from 100 to 500 mg (33.59 ng/mL). This similarity implies the appropriateness of employing these specific doses of resveratrol, taking into consideration both its bioavailability and very low risk of potential side effects. However, the analysis of available human oral bioavailability data is constrained by methodological inconsistencies prevalent in existing studies. The meta‐analysis underscores substantial heterogeneity, underscoring the imperative for multiple studies to rectify this prevailing trend.
Emodin Inhibits AIM2 Inflammasome Activation via Modulating K27‐Linked Polyubiquitination to Attenuate Renal Fibrosis
Authors: Lu Lidan , Shuang Ruonan , Cao Fang , Sun Zhongwen , Wei Qingxue , Gao Tiantian , Gu Xuejing , Wen Kejian , Cheng Xiaolan , Gu Mingjia
Published: November 2024

Chronic kidney diseases (CKD) is a serious threat to people's health with renal fibrosis as the major pathological feature. The absent in melanoma 2 (AIM2) has recently been proposed to play a critical role in CKD. Emodin is a major bioactive compound from rhubarb, which is widely used for clinical treatment of renal disease. The aim of this study is to elucidate the effect of emodin on unilateral ureteral obstruction (UUO) model mice and its association with the AIM2 inflammasome. In this study, we established the UUO‐induced mice renal interstitial fibrosis in vivo and bone marrow‐derived macrophages (BMDMs) model in vitro. The BUN, SCr, TNF‐α, IL‐1β in serum were examined. The degree of renal damage and fibrosis were determined by histological assessment. Immunofluorescence, western blot, and Co‐IP were used to determine the mechanisms of emodin against CKD. Emodin could improve UUO‐induced abnormal renal function and histopathological abnormalities. It could also ameliorate renal fibrosis, evidenced by inhibiting the expression of α‐SMA, TGF‐β1, FN, and collagen I. Mechanistically, emodin significantly suppressed AIM2 inflammasome as well as its components including ASC, cleaved caspase‐1, and IL‐1β both in vivo and in vitro. Further studies demonstrated that emodin inhibited K27‐linked polyubiquitination of AIM2 by targeting on K64 sites of the lysine residues. In summary, emodin could hinder the activation of AIM2 inflammasome in UUO model mice through K27‐linked polyubiquitination to reduce renal fibrosis. Emodin is a possible therapeutic option for CKD treatment.
Active Packaging System—An Overview of Recent Advances for Enhanced Food Quality and Safety
Authors: Kadirvel Vijayasri , Palanisamy Yazhiniyan , Ganesan Nandhini Devi
Published: November 2024

Active packaging has emerged as a transformative solution in the realm of food packaging, introducing functionalities that extend beyond traditional passive containment. Active packaging technology intends to preserve the quality and extend the shelf life of food products via the incorporation of functional components into the packaging material. This review paper explores the current state of active packaging technologies and their applications in preserving and enhancing the quality and safety of food products. The paper delves into various active ingredients involved in active packaging including oxygen scavengers and moisture absorbers, antimicrobial agents, ethylene absorbers and flavour/odour absorbers to enhance the shelf life. Furthermore, the study reviews the fundamental principles behind active packaging, elucidating the mechanisms by which these technologies interact with the food environment. In conclusion, the potentiality of active packaging to revolutionize the food industry by augmenting food quality, safety and overall consumer satisfaction is analysed providing a foundation for future research directions.
Effect of Rare Earth Y and Metal X (Co, Mn, Ni, Cu) Elements on Cr Diffusion Behavior of SOFC Metallic Interconnect
Authors: Li Kun , Zhang Yong‐Shuai , Liu Yu‐Jing , He Chen‐Yang , Yun Hao , Yang Wen
Published: November 2024

At present, the metallic interconnects of the solid oxide fuel cell (SOFC) can result in Cr poisoning problem of cathode after long‐term high‐temperature oxidation. Such problem seriously affects the efficiency of battery power generation. In order to optimize the performance of the metallic interconnect, this paper firstly studies the doping effect of rare earth element Y and metal element X (Co, Mn, Ni, Cu) on the diffusion behavior of Cr at the FeCr/Cr2O3 interface by the first principles method. The Cr diffusion pathway and energy barriers under different elemental doping models are calculated by CI‐NEB method. Based upon the theoretical results, the Mn1.8CoY0.2O4 spinel coating is further deposited on the surface of Crofer 22 APU substrate by sol–gel and electrophoretic deposition method to verify the theoretical results. The performance of the coating samples after high‐temperature oxidation are tested and analyzed. The experimental results show that the Mn1.8CoY0.2O4 spinel coating significantly improves the high‐temperature antioxidation, Cr resistance performance, and electrical conductivity of the interconnect, providing a feasible solution for solving the Cr poisoning problem in cathode and accelerating the application of Crofer 22 APU alloy materials in SOFC metallic interconnects.
Standard Approaches to XPS and AES Quantification—A Summary of ISO 18118:2024 on the Use of Relative Sensitivity Factors
Authors: Cant David J. H. , Gorham Justin M. , Clifford Charles A. , Shard Alexander G.
Published: November 2024

Quantitative analysis of electron spectroscopy data from techniques such as Auger electron spectroscopy (AES) and X‐ray photoelectron spectroscopy (XPS) typically requires the use of relative sensitivity factors (RSFs). Virtually, all routine XPS experiments attempt to turn peak intensities into elemental or chemical compositions using RSFs. The comparability and reproducibility of surface chemical analysis by electron spectroscopies therefore require the standardisation of RSFs and their use. RSFs may be determined either from theoretical calculations based on photo‐ionisation cross‐sections or empirically through direct measurement of homogeneous reference samples of known composition. The accurate use of sensitivity factors, even empirically determined RSFs, requires accounting for the effect of material differences on relative intensities, the so‐called ‘matrix effects’. ISO 18118:2024 is the most recently revised version of the ISO standard for the use and determination of empirical RSFs for quantitative analysis of homogeneous materials by AES and XPS. This article provides a summary of the new, updated standard and the methods described therein, noting in particular the revisions made since the previous edition, ISO 18118:2015.
Instrumental Variable Model Average With Applications in Nonlinear Causal Inference
Authors: Chen Dong , Wang Yuquan , Shi Dapeng , Cao Yunlong , Hu Yue‐Qing
Published: November 2024

The instrumental variable method is widely used in causal inference research to improve the accuracy of estimating causal effects. However, the weak correlation between instruments and exposure, as well as the direct impact of instruments on the outcome, can lead to biased estimates. To mitigate the bias introduced by such instruments in nonlinear causal inference, we propose a two‐stage nonlinear causal effect estimation based on model averaging. The model uses different subsets of instruments in the first stage to predict exposure after a nonlinear transformation with the help of sliced inverse regression. In the second stage, adaptive Lasso penalty is applied to instruments to obtain the estimation of causal effect. We prove that the proposed estimator exhibits favorable asymptotic properties and evaluate its performance through a series of numerical studies, demonstrating its effectiveness in identifying nonlinear causal effects and its capability to handle scenarios with weak and invalid instruments. We apply the proposed method to the Atherosclerosis Risk in Communities dataset to investigate the relationship between BMI and hypertension.
Using Wearable Technology to Objectively Investigate Physical Behaviour and Determine Health Outcomes of a Physical Activity Intervention in Patients with Psoriasis
Authors: Sheppard Rory , Gan Weh K. , Onambele-Pearson Gladys L. , Young Helen S.
Published: November 2024

Background

Sedentary behaviour has a detrimental effect on health independent of the amount of physical activity undertaken. Despite the association of cardiometabolic and psychosocial comorbidities with psoriasis, how physical behaviour influences health outcomes in patients with psoriasis is poorly understood.

Objectives

We hypothesized that objective measurement of physical behaviour, using wearable digital technology, would have utility in understanding the clinical impact of an exercise intervention designed in partnership with patients with psoriasis.

Methods

Fourteen patients with psoriasis completed a 20-week study. During weeks 1–10, participants followed an incrementally progressive, exercise intervention, followed by independent activities during weeks 11–20. Accelerometers (GENEActiv Original) and pedometers recorded physical behaviour. Evaluation at week-0, -10, and -20 included assessment of psoriasis, cardiometabolic disease/risk, psychological health and functional capacity.

Results

Our intervention supported significantly increased physical activity, including moderate–vigorous physical activity (p = 0.04) and step count (p = 0.04). We also observed a significant association between physical activity and psoriasis area and severity index (PASI)-50 response (p = 0.01) and psychosocial functioning (p = 0.029) together with a significant negative correlation between step count and psoriasis severity (p = 0.012). We observed no change in total waking hour sedentary behaviour.

Conclusion

Objective measurement of physical behaviour, using wearable digital technologies, offers a mechanism to further understand the clinical impact of lifestyle behaviour interventions. Crucially, despite increased levels of physical activity, we observed no change in total waking hour sedentary time. Further investigation is required to establish how modification of physical behaviour could offer an adjuvant management strategy for patients with psoriasis.
Multifunctional Effect of Carbon Matrix with Sulfur Dopant Inspires Mixed Metal Sulfide as Freestanding Anode in Sodium‐Ion Batteries
Authors: Zhang Peilin , Huang Kang , Zhu Siyu , Xiu Mingzhen , Cao Xun , Huang Chen , Huang Yizhong , Chen Luyang
Published: November 2024

As active materials for large‐radius Na+ storage, metal sulfide (MS) anodes still face several challenges, including poor intrinsic electric conductivity, severe volume change along with the shuttle and dissolution effects of discharge‐produced polysulfides. In this work, the mixed nickel‐manganese sulfides (NiMnS) in the morphology of uniform 2D ultrathin nanosheets are derived from layered metal‐organic frameworks (MOFs), where the NiS‐MnS heterojunction are accommodated in carbon matrix with S dopant (NiMnS/SC). Through experiments and density functional theory (DFT) simulations, it is revealed that the carbon matrix with S dopant has multifunctional effects on active NiMnS during the charge/discharge process, including conductive intermediary, electrochemical active site, physical barrier, and chemical adsorption. This work may promote the design of MS‐based electrodes in SIBs and extend the application of carbon material with S dopant in Na‐S batteries.
Size‐Dependent Effects of ZIF‐8 Derived Cathode Materials on Performance of Zinc‐Ion Capacitors
Authors: Li Jiaxin , Hua Yumeng , Gao Yanshen , Li Shiyun , Kędzierski Tomasz , Mijowska Ewa , Chu Paul K. , Holze Rudolf , He Yi , Bi Wuguo , Chen Xuecheng
Published: November 2024

Zinc‐ion capacitors (ZICs) have attracted great attention due to a series of advantages. However, the cathode materials are still the bottleneck for high‐performance ZICs to be achieved. Therefore, ZIF‐8‐derived porous carbons are one of the most promising candidates but ZIF‐8 nanoparticles with different sizes exhibited various electrochemical performances in ZICs. Herein, a series of monodispersed ZIF‐8 nanoparticles are first prepared by a temperature‐controlled process to fabricate the corresponding ZIF‐8‐based porous carbon nanoparticles with pre‐designed sizes. The as‐prepared materials have been tested as cathode materials in ZICs. Thus, their size effect allowed us to disclose its correlation with other factors such as ion transport/storage and capacitance. The results reveal that the optimal‐sized porous carbon particles can effectively shorten the ion transport distance and accelerate the ion diffusion rate, resulting in lower electrical resistance, larger ion diffusion coefficients, and faster electron transport. The presented findings can facilitate the design of new advanced cathode materials paving the way for the development of high‐performance cathode materials for ZICs in the future.
EGCG‐enabled Deep Tumor Penetration of Phosphatase and Acidity Dual‐responsive Nanotherapeutics for Combinatory Therapy of Breast Cancer
Authors: Zhou Mengxue , Zhou Chuang , Geng Huan , Huang Zhiwei , Lin Zhiyuan , Wang Ying , Zhu Yin , Shi Jiang , Tan Junfeng , Guo Li , Zhao Yanni , Zhang Yue , Peng Qunhua , Yu Haijun , Dai Weidong , Lv Haipeng , Lin Zhi
Published: November 2024

The presence of dense collagen fibers is a typical characteristic of triple‐negative breast cancer (TNBC). Although these fibers hinder drug penetration and reduce treatment efficacy, the depletion of the collagen matrix is associated with tumor metastasis. To address this issue, epigallocatechin‐3‐gallate (EGCG) is first exploited for disrupting the dense collagenous stroma and alleviate fibrosis by specifically blocking the TGF‐β/Smad pathway in fibroblasts and tumor cells when intraperitoneally administrated in TNBC tumor‐bearing mice. A methotrexate (MTX)‐loaded dual phosphate‐ and pH‐responsive nanodrug (pHA@MOF‐Au/MTX) is next engineered by integrating Fe‐based metal–organic frameworks and gold nanoparticles for improved chemo/chemodynamic therapy of TNBC. Surface modification with pH (low)‐insertion peptide substantially enhanced the binding of the nanodrug to 4T1 cells owing to tumor stroma remodeling by EGCG. High‐concentration EGCG inhibited glutathione peroxidase by regulating mitochondrial glutamine metabolism, thus facilitating tumor cell ferroptosis. Furthermore, sequential EGCG and pHA@MOF‐Au/MTX treatment showed remarkable anti‐tumor effects in a mouse model of TNBC, with a tumor growth inhibition rate of 79.9%, and a pulmonary metastasis rate of 96.8%. Altogether, the combination strategy developed in this study can improve the efficacy of chemo/chemodynamic therapy in TNBC and represents an innovative application of EGCG.
Cutting‐Edge Developments in Metal Halide Perovskites Core/Shell Heterocrystals: from Photodetectors to Biomedical Applications
Authors: Saleem Muhammad Imran , Batool Attia , Hur Jaehyun
Published: November 2024

In recent years, the performance of metal halide perovskite (MHP)‐based detectors (photon, biomedical, and X‐ray detection) has significantly improved, resulting in higher carrier mobilities, longer carrier diffusion lengths, and excellent absorption coefficients. However, the widespread adoption of halide perovskites has been hindered by issues related to their stability and toxicity. Various strategies have been adopted to address these challenges, focusing on enhancing ambient stability and reducing toxicity by encapsulating MHPs within stable and robust host materials, such as silicon compounds, metal oxides, chalcogenides, and lead‐free perovskites. This review focuses on recent developments in hybrid nanostructure‐based detectors (photon, biomedical, and X‐ray), particularly core/shell architectures, and provides a comprehensive analysis of techniques for mitigating degradation due to light and oxygen exposure, UV irradiance, and thermal effects. This review enhances the understanding of current advancements in core/shell‐based detectors.
Fine‐Tuning Conformation of PEDOT Chains Enables Simultaneously Enhanced Conductivity, Work Function, Transmittance, and Waterproofness in PEDOT:PSS Interlayer for Highly Efficient and Stable Organic Photovoltaics
Authors: Zhang Jingyao , Dong Yunqiao , Xie Jiefeng , Li Zhenye
Published: November 2024

Poly(3,4‐ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) is widely utilized as the hole transport layer (HTL) inorganic photovoltaics (OPVs) because of its low‐temperature solution processing peculiarity, high optical transmittance, and excellent mechanical flexibility. However, the core–shell structure of PSS coated PEDOT results in relatively low conductivity, work function, transmittance and waterproofness of PEDOT:PSS interlayer, limiting the photovoltaic performance and stability of OPVs. Here, the conformation of PEDOT chains are regulated from helical benzoyl to linear quinone structure via incorporation of 2D Cd0.85PS3Li0.15H0.15dopant into the conventional PEDOT:PSS interlayer, promoting an interpenetrating network structure in PEDOT:PSS interlayer and forming an efficient hole transport channel from active layer to ITO electrode. Such features significantly improve the electrical conductivity, work function, and transmittance of PEDOT:PSS interlayer. In consequence, the maximum power conversion efficiency (PCE) of D18:L8‐BO, PBDB‐T:ITIC, as well as PTzBI‐dF:L8‐BO based OPVs ameliorated from 18.37%, 8.94%, and 15.80% to 19.26%, 10.00%, and 16.83%, respectively. The application of Cd0.85PS3Li0.15H0.15 doping PEDOT:PSS strategy demonstrates great potential for the development of strongly conductive, large‐work‐function, highly transparent, and excellent‐waterproof PEDOT:PSS interlayer toward highly efficient and stable OPVs.
Decoupled Water Reduction and Hydrazine Oxidation by Fast Proton Transport MoO3 Redox Mediator for Hydrogen Production
Authors: Song AJing , Wei Yuan , Jin Xin , Ma Yuanyuan , Wang Yonggang , Yang Jianping
Published: November 2024

Water electrolysis powered by renewable energy is a green and sustainable method for hydrogen production. Decoupled water electrolysis with the aid of solid‐state redox mediator could separate the hydrogen and oxygen production in time and space without the use of the membrane, showing high flexibility. Herein, a MoO3 electrode with fast proton transport property is employed as a solid‐state redox mediator to construct a membrane‐free decoupled acidic electrolytic system. The MoO3 electrode exhibits high specific capacity (204.3 mAh g−1 at 5 A g−1) and excellent rate performance (92.8 mAh g−1 at 150 A g−1) in the acidic environment. Due to the dense oxide‐ion arrays, MoO3 still exhibits excellent performance under high mass‐loading. In addition, a hybrid decoupled electrolysis system is also constructed by combining water reduction and hydrazine oxidation, which can not only generate high‐purity H2 but also remove hydrazine hazards in acidic wastewater with lower energy consumption.
Garnet‐Type Solid‐State Electrolytes: Crystal‐Phase Regulation and Interface Modification for Enhanced Lithium Metal Batteries
Authors: Wu Jialong , Chen Weiheng , Hao Bin , Jiang Zhong‐Jie , Jin Guangri , Jiang Zhongqing
Published: November 2024

Due to their substantial energy density, rapid charging and discharging rates, and extended lifespan, lithium‐ion batteries have attained broad application across various industries. However, their limited theoretical capacity struggles to meet the growing demand for battery capacity in consumer electronics, automotive, and aerospace applications. As a promising substitute, solid‐state lithium‐metal batteries (SSLBs) have emerged, utilizing a lithium‐metal anode that boasts a significant theoretical specific capacity and non‐flammable solid‐state electrolytes (SSEs) to address energy density limitations and safety concerns. For SSLBs to attain large‐scale commercial viability, SSEs require heightened ionic‐conductivity, improved mechanical characteristics, and enhanced chemical and electrochemical stability. Furthermore, tackling the challenges related to interfacial contacts between SSEs and the lithium‐metal anode is imperative. This review comprehensively overviews the primary methods used to prepare garnet SSEs and summarizes doping strategies for various sites on Li7La3Zr2O12 (LLZO) garnet SSEs, aiming to optimize the crystal phase to achieve more favorable properties in SSE applications. Additionally, it discusses strategies for modifying the interfacial contact between the lithium‐metal anode and SSEs, classifying them into three areas: surface modification, interlayer‐modification, and composite anodes. This review aims to serve as a valuable reference for future researchers working on high‐performance garnet SSEs and effective interfacial‐modification strategies.
Impact of Interfaces on the Performance of Covalent Organic Frameworks for Photocatalytic Hydrogen Production
Authors: Wang Lin , Zhang Yong
Published: November 2024

The rise in global temperatures and environmental contamination resulting from traditional fossil fuel usage has prompted a search for alternative energy sources. Utilizing solar energy to drive the direct splitting of water for hydrogen production has emerged as a promising solution to these challenges. Covalent organic frameworks (COFs) are ordered, crystalline materials made up of organic molecules linked by covalent bonds, featuring permanent porosity and a wide range of structural topologies. COFs serve as suitable platforms for solar‐driven water splitting to produce hydrogen, as their building blocks can be tailored to possess adjustable band gaps, charge separation capabilities, porosity, wettability, and chemical stability. Here, the impact of the interface in the context of the photocatalytic reaction is focused and propose strategies to enhance the hydrogen production performance of COFs photocatalysis. In particular, how hybrid photocatalytic interfaces affect photocatalytic performance is focused.
A Process Model for AI‐Enabled Software Development: A Synthesis From Validation Studies in White Literature
Authors: Gurgen Erdogan Tugba , Altunel Haluk , Tarhan Ayça Kolukısa
Published: November 2024

Context

With the fast advancement of techniques in artificial intelligence (AI) and of the target infrastructures in the last decades, AI software is becoming an undeniable part of software system projects. As in most cases in history, however, development methods and guides follow the advancements in technology with phase differences.

Purpose

With an aim to elicit and integrate available evidence from AI software development practices into a process model, this study synthesizes the contributions of the validation studies reported in scientific literature.

Method

We applied a systematic literature review to retrieve, select, and analyze the primary studies. After a comprehensive and rigorous search and scoping review, we identified 82 studies that make various contributions in relation to AI software development practices. To increase the effectiveness of the synthesis and the usefulness of the outcome, for detailed analysis, we selected 14 primary studies (out of 82) that empirically validated their contributions.

Results

We carefully reviewed the selected studies that validate proposals on approaches/models, methods/techniques, tasks/phases, lessons learned/best practices, or workflows. We mapped the steps/activities in these proposals with the knowledge areas in SWEBOK, and using the evidence in this mapping and the primary studies, we synthesized a process model that integrates activities, artifacts, and roles for AI‐enabled software system development.

Conclusion

To the best of our knowledge, this is the first study that proposes such a process model by eliciting and gathering the contributions of the validation studies in a bottom‐up manner. We expect that the output of this synthesis will be input for further research to validate or improve the process model.
Free‐Base Octaethylporphyrin on Au(111) as Heterogeneous Organic Molecular Electrocatalyst for Oxygen Reduction Reaction in Acid Media: An Electrochemical Scanning Tunneling Microscopy and Rotating Ring‐Disc Electrode Analyses
Authors: Cazzadori Francesco , Facchin Alessandro , Reginato Silvio , Forrer Daniel , Durante Christian
Published: November 2024

The oxygen reduction reaction (ORR) using metal porphyrin catalysts is currently widely explored. Conversely, metal‐free molecular systems are much less investigated, and there is limited information available for molecules such as nonmetalated macrocycles capable of catalyzing the ORR or other small molecules. Herein, the activity and selectivity of a heterogeneous organic molecular electrocatalyst, octaethylporphyrin (H2OEP), adsorbed on Au(111) toward ORR in acidic aqueous electrolyte are investigated. Electrochemical scanning tunneling microscopy (EC‐STM) is employed to monitor the molecular layer during the electrochemical process. Additionally, cyclic and linear sweep voltammetries are performed at still and rotating Pt/ring‐H2OEP‐functionalized Au(111)/disk electrodes to determine the activity and selectivity of the H2OEP monolayer toward ORR on Au(111). Based on EC‐STM and computation analysis, dioxygen electroreduction does not follow an inner‐sphere electron transfer reduction as seen in metal porphyrins, where a preliminary MO2 bond has to form, but it follows an outer‐sphere mechanism involving the precoordination of O2 induced by the protonated hydrogen of the macrocycle cavity.
Label‐Free Prediction of Tumor Metastatic Potential via Ramanome
Authors: Zhang Yuxing , Zhang Yanmei , Gong Ruining , Liu Xiaolan , Zhang Yu , Sun Luyang , Ma Qingyue , Wang Jia , Lei Ke , Ren Linlin , Zhao Chenyang , Zheng Xiaoshan , Xu Jian , Ren He
Published: November 2024

Assessing metastatic potential is crucial for cancer treatment strategies. However, current methods are time‐consuming, labor‐intensive, and have limited sample accessibility. Therefore, this study aims to investigate the urgent need for rapid and accurate approaches by proposing a Ramanome‐based metastasis index (RMI) using machine learning of single‐cell Raman spectra to rapidly and accurately assess tumor cell metastatic potential. Validation with various cultured tumor cells and a mouse orthotopic model of pancreatic ductal adenocarcinoma show a Kendall rank correlation coefficient of 1 compared to Transwell experiments and histopathological assessments. Significantly, lipid‐related Raman peaks are most influential in determining RMI. The lipidomic analysis confirmed strong correlations between metastatic potential and phosphatidylcholine, phosphatidylethanolamine, cholesteryl ester, ceramide, and bis(monoacylglycero)phosphate, crucial in cell membrane composition or signal transduction. Therefore, RMI is a valuable tool for predicting tumor metastatic potential and providing insights into metastasis mechanisms.
Understanding Ion‐Related Performance Losses in Perovskite‐Based Solar Cells by Capacitance Measurements and Simulation
Authors: Messmer Christoph , Parion Jonathan , Meza Cristian V. , Ramesh Santhosh , Bivour Martin , Heydarian Minasadat , Schön Jonas , Radhakrishnan Hariharsudan S. , Schubert Martin C. , Glunz Stefan W.
Published: November 2024

Understanding the behavior of mobile ions in perovskite‐based solar cells (PSCs) is crucial for improving their performance and stability, which belong to the key hurdles in advancing this technology toward commercialization. This study explores the role of mobile ions in PSCs using the comprehensive technology computer‐aided design model which is extended to simulate the frequency‐dependent capacitance (C–f) of PSCs. It is compared with equivalent circuit approaches showcasing the validity and advantages of full device modeling. By combining the simulation of full measurement procedures with C–f and J–V measurements on experimental test structures, the observed C–f characteristics can be quantitatively related to performance losses in scan‐time‐dependent J–V curves, both originating from ion diffusion. With this combined analysis, insights can be provided on the physical origin and interpretation of the different C–f plateaus caused by the displacement of ions. Finally, the C–f characteristics of PSCs under illumination and the impact of band alignment and recombination at the perovskite interface are investigated. Experimental PSCs with and without electron‐transport layer passivation are fabricated, showing a good agreement between the simulated and measured C–f and pointing toward a lower surface recombination for the passivated PSC. This study shows how drift‐diffusion modeling helps to characterize and interpret capacitance‐based data.
A Comprehensive Review of Analytical Techniques for Quantifying Cyclin‐dependent Kinase 4 and 6 Inhibitors in Biological Samples, Bulk, and Pharmaceutical Samples
Authors: Rathore Seema S. , Jenita J. Josephine Leno , D Manjula
Published: November 2024

Cyclin‐dependent kinase 4 and 6 (CDK4/6) inhibitors are utilized as a remedy for advanced hormone receptor‐positive, HER2‐negative breast cancer (BC). By targeting CDK4/6, these drugs inhibit the phosphorylation of the retinoblastoma protein during the early G1 phase, leading to cell cycle arrest, disruption of deoxyribonucleic acid replication, and effective suppression of cancer cell proliferation. Recently, there has been an increasing focus on the advancement of analytical techniques for the determination of CDK4/6 inhibitors. These analytical methods are essential in the enhancement and refinement of CDK4/6 inhibitors for the management of advanced BC. This review provides a comprehensive overview of the various analytical techniques used for the analysis of palbociclib, ribociclib, and abemaciclib, along with their metabolites in biological fluids (such as blood and urine samples), commercial products, Ringer's solution, and simultaneous estimation. High‐performance liquid chromatography and liquid chromatography‐mass spectrometry are the primary analytical techniques commonly employed for the analysis of CDK4/6 inhibitors. This analytical review also provides insights into pharmacokinetics and stability studies, as well as the use of analytical techniques in detecting impurities and determining the structure of degraded products.
Sustained Condensation Efficiency on 3D Hybrid Surfaces
Authors: Lo Ching‐Wen , Chen Yu‐Hsiang , Lu Ming‐Chang
Published: November 2024

Condensation plays a crucial role in various applications. While superhydrophobic surfaces have been employed to enhance condensation, their performance significantly deteriorates with increasing subcooling, limiting their practicality. Hybrid surfaces offer a potential solution for improved condensation at high subcooling, but current designs fail to sustain effective condensation as subcooling rises. This study presents a three‐dimensional (3D) hybrid surface integrating short hydrophobic silicon nanowire arrays with hydrophilic microchannels. The formation of bridging droplets across multiple channels is observed, but they are efficiently removed from the 3D hybrid surface. The 3D hybrid surface exhibits sustained, simultaneous dropwise and filmwise condensation under medium to high subcooling conditions. Notably, it maintains a stable heat transfer coefficient across these subcooling conditions without experiencing the typical decline due to flooding observed on conventional surfaces at elevated subcooling temperatures. When compared to a plain hydrophilic surface at high subcooling, the 3D hybrid surface achieved remarkable improvements of 198% in condensation heat flux and 216% in heat transfer coefficient. This 3D hybrid surface represents a significant breakthrough for enhancing condensation in practical systems operating under high subcooling conditions.
On Alleviating Spatial Confounding Issues With the Bayesian Lasso
Authors: Briz‐Redón Álvaro
Published: November 2024

Spatial confounding usually refers to an issue that often arises in the context of fitting a spatial linear mixed model: the collinearity between fixed and spatial random effects. As a consequence, this can lead to erroneous covariate–response associations, with the resulting scientific or social impact. Different methods have been proposed in the literature to alleviate spatial confounding. However, recent research suggests that restricted spatial regression, the most commonly used, produces anticonservative confidence intervals and hence performs worse than the original spatial linear mixed model in terms of coverage. In this paper, we propose the use of the Bayesian Lasso for alleviating spatial confounding. Specifically, we propose a joint model that includes the fixed‐effects modeling process and the spatial linear mixed modeling framework subject to a penalty on the effect of the covariate on the response. The model proposed is tested for the Slovenia dataset, which is typically used for the study of this topic. We show that the model yields a covariate–response association relatively coherent with that inferred from the fixed‐effects model, while allowing for the inclusion of spatial random effects, thus performing better in terms of goodness‐of‐fit and spatial smoothing than the fixed‐effects model. A second application is also shown for a COVID‐19 dataset corresponding to the Greater London area, which provides similar insights about the proposed methodology.
Wölbkrafttorsion in exzentrisch beanspruchten Sandwichelementen
Authors: Pradhan Eric Man , Rädel Felicitas , Lange Jörg
Published: November 2024

Gegenwärtig lässt sich ein gesteigertes Interesse an der Nutzung von Sandwichelementen verzeichnen, die neben der Biegebeanspruchung auch Torsionsbeanspruchungen ausgesetzt sind. Dies ist insbesondere bei Fassaden relevant, wenn Sandwichelemente mit Photovoltaik oder einer ergänzenden Vorhangfassade ausgestattet werden. Derzeit ist die Zulassung jedoch an aufwendige Bauteilversuche geknüpft, da für praktische Anwendungen eine mechanisch fundierte bzw. normative Berechnungsgrundlage bisher nicht zur Verfügung steht. Im vorliegenden Aufsatz werden Analysen des Tragverhaltens von Sandwichelementen, welche senkrecht zur Deckblechebene exzentrisch beansprucht werden, vorgestellt. Umfangreiche experimentelle, numerische und analytische Untersuchungen wurden an Sandwichwandelementen mit Polyisocyanurat‐ (PIR‐) Kern innerhalb einer großen Bandbreite von materialspezifischen und geometrischen Parametern durchgeführt. Mithilfe der Versuchsdaten wurden zunächst die Validität und Reliabilität des Finite‐Elemente‐Modells und des analytischen Berechnungsmodells, basierend auf der Wölbkrafttorsion, evaluiert. Kern der Arbeit ist eine darauf aufbauende Parameterstudie. Die Ergebnisse belegen die allgemeine Anwendbarkeit der Wölbkrafttorsion in Sandwichelementen innerhalb der zulässigen Anwendungsgrenzen und dienen als Grundlage für ein neu entwickeltes, praxisgerechtes Näherungsverfahren zur Spannungs‐ und Verformungsberechnung.
Recent Advances of C−S Coupling Reaction of (Hetero)Arenes by C−H Functionalization
Authors: Zhang Lei‐Yang , Wang Nai‐Xing , Lucan Dumitra , Nastasi Julia , Xing Yalan
Published: November 2024

Organic sulfur compounds encompass a vast and diverse variety of species that possess unique biological activity due to the presence of sulfur atoms or sulfur‐containing functional groups. These compounds are widely present in natural products, pharmaceuticals, agricultural chemicals, and functional materials. In recent years, numerous sulfur‐containing compounds such as thiols, thioethers, disulfides, thiourea, dimethyl sulfoxide, sulfonates and their derivatives, as well as sulfur‐containing inorganic compounds, have been utilized as coupling agents to synthesize (hetero)aryl sulfides via C−H Functionalization. These novel transformations provide effective methods for constructing C−S bond of (hetero)arenes, while also expanding the scope of (hetero)aryl sulfides with the potential biological activity. Therefore, the synthesis of aryl sulfides through C−H bond functionalization has attracted widespread attention. This review mainly focuses on the construction of (hetero)aryl sulfides via C−H bond functionalization since 2015. We hope this review offers a useful conceptual overview and inspires further advancements in the efficient construction of C−S bonds.
Expanding Support Beyond Clinical Care in IBD Patients
Authors: Shen Zhonglei , Li Sheng
Published: November 2024

Introduction

A rational discussion of the impact of Pain, Fatigue and Bowel Incontinence on the Quality of Life of People Living With Inflammatory Bowel Disease: A UK Cross‐ Sectional Survey.

Conclusion

To help Inflammatory Bowel Disease patients manage symptoms and improve quality of life by incorporating a multifaceted community health strategy that goes beyond routine symptomatic treatment.
One‐step polymerization of polyvinyl alcohol/cashew gum/polypyrrole/copper oxide nanocomposites for high‐performance flexible films in optoelectronics
Authors: Kalladi Ayisha Jemshiya , Jayalakshmi K. , Ramesan M. T.
Published: November 2024

A ternary blend nanocomposite composed of polyvinyl alcohol/cashew gum/polypyrrole (PVA/CG/PPy) with varying contents of copper oxide (CuO) nanoparticles was synthesized via an in situ polymerization method, using water as an eco‐friendly solvent. Fourier‐transform infrared spectroscopy (FTIR), UV–visible spectroscopy, field emission scanning electron microscopy (FE‐SEM), x‐ray diffraction (XRD), thermogravimetric analysis (TGA), and differential scanning calorimetry (DSC) were used to characterize the ternary blend nanocomposites. FTIR and UV–visible spectra demonstrated strong intermolecular interactions between the functional groups of the PVA/CG/PPy blend and the CuO nanoparticles. XRD patterns revealed that the CuO nanofillers were arranged in a structured manner within the ternary blend matrix. FE‐SEM confirmed the uniform dispersion and structured arrangement of CuO nanofillers at a concentration of 3 wt% within the blend matrix. TGA and DSC results showed that the addition of CuO nanoparticles to the PVA/CG/PPy blend improved both the thermal stability and glass transition temperature of the blend matrix. Electrical properties improved with CuO content up to 3 wt%, resulting in enhanced conductivity, an increased dielectric constant, and reduced activation energy. The highest tensile strength, 13.76 MPa, was also observed at this concentration. However, properties declined beyond 3 wt% due to agglomeration, making 3 wt% the ideal concentration for maximum performance. This study highlights the potential of PVA/CG/PPy/CuO nanocomposites for applications requiring improved electrical properties and thermal stability, particularly in flexible electronics and energy storage devices.

Highlights

Eco‐friendly synthesis of PVA/CG/PPy/CuO biopolymer nanocomposite films

Improvement in morphological, and optical properties of PVA/CG/PPy/CuO films.

CuO nanofillers magnify the thermal properties of the pristine PVA/CG/PPy

Conductivity and dielectric characteristics: frequency and temperature dependence explored.

PVA/CG/PPy/CuO nanocomposite films: pliable contenders unveiling industrial potentials.
Multimodal management of PD‐L1 positive sinonasal inverted papilloma with malignant transformation
Authors: Velazquez Vanessa , Hakim Mohamad Nawar , Brockhoff Hans , Maharaj Satish
Published: November 2024

Inverted papillomas (IP) are rare sinonasal tumors (Schneiderian papillomas) characterized by local invasion, with high recurrence rates and potential for malignant transformation into squamous cell carcinoma (SCC ex‐IP). Traditionally, the mainstay of treatment has been surgical resection, often challenging due to invasion of the skull base or vital neurovascular structures. In advanced cases, prognosis is poorer and radiation therapy is the current standard of care with limited role of systemic therapy. We present a case of unresectable SCC ex‐IP treated with sequential chemoradiation and PD‐1 immunotherapy (pembrolizumab) and achieving complete response at 1 year. This case suggests that immunotherapy can effectively treat SCC ex‐IP and we propose that programmed death ligand‐1 (PD‐L1) testing should be performed in all advanced cases. Prospective studies are needed to validate immunotherapy in adjuvant or frontline treatments for advanced SCC ex‐IP, and the role of PD‐L1 as a predictive biomarker.
Narrativising Events
Authors: Porzel Robert , Pomarlan Mihai , Spillner Laura , Rockstroh Johanna , Bateman John A.
Published: November 2024

A challenge for automated user access to, or presentation of, event data is the fact that such data rarely explicitly controls for appropriate narrativisation choices. This is problematic because readers nevertheless read narrativisation effects into texts regardless of whether those effects were intended or not. Gaining control of such effects, which we characterise here as the “narrativisation task”, therefore constitutes a general problem whenever knowledge is to be externalised for user access, regardless of whether that externalisation is linguistic or involves other presentation modalities. To achieve narrative control in verbalisation, we present a formal theory of narratives using OWL-DL, specifying the theory’s ontological commitments and accompanying ontological design patterns. Building on this, we demonstrate a specific pipeline that can be applied to produce linguistic narratives from knowledge graphs via an ontological layer and corresponding rules that generate appropriately slanted natural language from semantic specifications. This complements existing event knowledge by pairing any event representation with a selected conceptualisation, i.e. interpretation. By these means, we aim to improve user access to event information by constructing appropriate narrative stances that help render information presentation coherently in multiple languages; we illustrate this capability here using English and Spanish.
Outlook
Authors: Winters Jane
Published: November 2024

This short chapter reflects on the trajectory of the CLEOPATRA project, drawing out some of the themes that connect the work presented elsewhere in the book. It also considers how rapidly the field has changed during the lifetime of the project, and particularly the growing interest in and use of generative AI.