bluuebunny/crossref_metadata_2025 huggingface dataset:
To Gibbs or Not to Gibbs Effect of Entropic Contribution in the NMR Calculations of Flexible and Polar Molecules—Updating the DP4+App
Authors: Amichetti Milagros , Franco Bruno A. , Zanardi María Marta , Sarotti Ariel M.
Published: October 2024

The application of quantum‐based NMR methods for the structural elucidation of natural and unnatural products has grown significantly. However, accurately calculating the conformational landscape of flexible molecules with intricate intramolecular hydrogen bonding (IHB) networks continues to be a major challenge. In this work, we thoroughly studied the effect of entropic contributions (trough Gibbs free energies calculations) in the DP4+ performance. Our results show that to solve biased systems with strong IHB interactions requires computing the Boltzmann contributions using Gibbs free energies computed with at least triple‐ξ basis set and SMD solvation model. In response to this finding, we have updated our DP4+App, a user‐friendly Python applet that automates the entire process of calculating DP4+ probabilities. In the new version, the program allows for calculating of conformational contributions at any selected theory level, using either SCF or Gibbs free energies.
Longitudinal relationships between free‐living activities, fatigue, and symptom severity in myasthenia gravis using cohort and individualized models
Authors: Dimmick Hannah L. , Jewett Gordon , Korngut Lawrence W. , Ferber Reed
Published: October 2024

Introduction/Aims

Fluctuating symptoms and fatigue are common issues in myasthenia gravis (MG), but it is unclear if these symptoms are related to physical activity or sleep patterns. This study sought to determine the day‐to‐day relationship between patient‐reported symptoms and physical activity and sleep over 12 weeks.

Methods

Sixteen participants with generalized MG wore a wrist‐mounted accelerometer continuously for the study duration and reported their symptoms and fatigue each evening. Cumulative link mixed models were used to analyze whether clinical and demographic characteristics, physical activity, and sleep were related to symptom severity and fatigue over the study period. Three types of models were constructed: a cohort model, a model in which data was scaled to each participant, and individual models.

Results

The cohort model indicated that higher disease severity, female sex, more comorbidities, less physical activity, more inactive time, and lower quantity of sleep were significantly associated with increased symptom severity and fatigue (p < .05). However, in the within‐participant scaled model, there were almost no significant associations with physical activity or sleep. In the individual models, some participants showed similar results to the cohort model, but others showed no associations or the opposite response in some variables.

Discussion

While physical activity and sleep were associated with self‐reported symptoms and fatigue within this population, this was not necessarily applicable to individuals. This demonstrates the importance of an individualized analysis for determining how physical activity and sleep may impact outcomes in MG, with implications for clinical and self‐management.
Limb‐girdle muscular dystrophies: A scoping review and overview of currently available rehabilitation strategies
Authors: D'Este Giorgia , Spagna Mattia , Federico Sara , Cacciante Luisa , Cieślik Błażej , Kiper Pawel , Barresi Rita
Published: October 2024

Limb‐girdle muscular dystrophies (LGMDs) constitute a diverse group of inherited disorders primarily affecting skeletal muscle. Despite the absence of cures, rehabilitative treatments offer potential for preventing and mitigating loss of muscle strength. However, the role of exercise training in LGMD patients remains contentious. This review aims to provide an overview of the currently available motor rehabilitation strategies for the most common subtypes of LGMD. To identify relevant articles, we performed a systematic search in PubMed, Embase, Cochrane Library, and Web of Science, focusing on muscular and respiratory interventions. The search resulted in 560 potentially relevant articles, of which 16 were included in the review. Eight studies concentrated on neuromuscular functional rehabilitation therapy programs, seven combined both neuromuscular rehabilitation and interventions to maintain or enhance respiratory functionality and one focused on respiratory intervention only. Altogether, the papers examined offered a comprehensive view on the rehabilitative strategies available and provided an indication of the most valuable practices to deal with patients' health and needs. Upon analysis, we conclude that, when tailored to individual needs, muscle training can enhance strength and functional abilities, positively impacting psychological well‐being. However, generic protocols may lead to limited benefits, fatigue, pain, and compliance issues. Moreover, early management of respiratory symptoms and personalized respiratory physiotherapy can enhance patients' well‐being and their capability to participate in muscle training exercises. Future studies should not only refine rehabilitation approaches but also assess their impact on patients' quality of life, including psychological factors like depression and self‐esteem.
Modeling the Swelling Behavior of Clayey Geomaterials Across Scales: Advances and Challenges
Authors: Mhamdi Alaoui Hamza , Zhao Chaofa , Niu Wenbo , Hicher Pierre‐Yves
Published: October 2024

Most soils and rocks contain varying fractions of clay minerals within their solid matrix. These geomaterials can exhibit a significant swelling potential toward chemo‐thermo‐hydromechanical loadings. Several multiscale modeling techniques have been developed to ascertain their swelling behavior across various scales, with molecular dynamics (MD), micromechanics‐based approaches, and double‐porosity models being the most common. MD simulation is a computational technique that applies Newton's second law of motion to depict the movement of particles within a granular system. Micromechanics‐based approaches upscale the poro‐elasticity law from the clay layer level to the sample scale through homogenization. Dual‐porosity models are generally based on elasto‐plasticity, incorporating different hydro‐mechanical laws at two distinct scales. These models have been extensively used, particularly for clayey soils and bentonites, though their application to clayey rocks has not been reported in the literature. Although their significant contribution to the understanding of clay swelling behavior, these techniques have been insufficiently reviewed, compared, and discussed mutually in the literature. This paper aims to provide a cross‐look on these multiscale approaches by presenting the theoretical background of existing formulations, highlighting breakthrough results, discussing major differences and current challenges, and proposing future perspectives.
Dynamic Operational Planning in Warfare: A Stochastic Game Approach to Military Campaigns
Authors: McCarthy Joseph E. , Dahan Mathieu , White Chelsea C.
Published: October 2024

We study a two‐player discounted zero‐sum stochastic game model for dynamic operational planning in military campaigns. At each stage, the players manage multiple commanders who order military actions on objectives that have an open line of control. When a battle over the control of an objective occurs, its stochastic outcome depends on the actions and the enabling support provided by the control of other objectives. Each player aims to maximize the cumulative number of objectives they control, weighted by their criticality. To solve this large‐scale stochastic game, we derive properties of its Markov perfect equilibria by leveraging the logistics and military operational command and control structure. We show the consequential isotonicity of the optimal value function with respect to the partially ordered state space, which in turn leads to a significant reduction of the state and action spaces. We also accelerate Shapley's value iteration algorithm by eliminating dominated actions and investigating pure equilibria of the matrix game solved at each iteration. We demonstrate the computational value of our equilibrium results on a case study that reflects representative operational‐level military campaigns with geopolitical implications. Our analysis reveals a complex interplay between the game's parameters and dynamics in equilibrium, resulting in new military insights for campaign analysts.
Long‐term monitoring of water table and saltwater intrusion dynamics through time‐lapse transient electromagnetic
Authors: Zamora‐Luria Juan Carlos , McLachlan Paul , Christiansen Anders Vest
Published: October 2024

Understanding hydrogeological processes often requires continuous measurements, which in many cases are not cost‐efficient. Time‐lapse geophysical studies are invaluable for investigating dynamic subsurface processes. They offer several advantages over traditional borehole‐based monitoring methods, such as being cost‐efficient and non‐intrusive. However, to be effective as an early warning tool, these studies must provide real‐time information on the processes. This is often not feasible with traditional geophysical methods, which typically do not offer real‐time monitoring. In this study, we present a windowed inversion approach for time‐lapse transient electromagnetic (TEM) monitoring. The advantages of this approach include: (i) immediate and continuous results as each time‐step dataset is acquired; (ii) no limitations on the size of the monitoring period or dataset; and (iii) the use of model information from previous inversion results for robust and continuous outcomes. The results from a synthetic study are followed by two field case studies, demonstrating the advantages of the windowed inversion compared to the inversion of the full dataset. We monitored the water table dynamics of a shallow unconfined aquifer over 8 months and the saltwater intrusion in a confined aquifer over 10 months using a monitoring TEM (mTEM) system while collecting nearly continuous daily measurements. With the windowed approach, the water table dynamics was recovered with an accuracy of 10 cm, and the changes in salinity were tracked with results comparable to those of an EC data logger.
Embracing trust over control: The evolution of conscious leadership
Authors: Kelly Jennifer
Published: October 2024

Have you stopped and asked yourself, “Am I being controlling at work, or am I just taking control?” It's an introspective question that requires taking a journey inward, especially since being “in control” is often viewed as a positive attribute, particularly in the sometimes‐hyper‐competitive environment of higher education.
Rapid Synthesis of anti‐1,3‐Diamino‐4‐phenylbutan‐2‐ol Building Blocks via a Three‐Component Oxyhomologation and a Two‐Component Reducing System
Authors: Cabua Maria Chiara , He Xuefeng , Secci Francesco , Deloisy Sandrine , Aitken David J.
Published: October 2024

N1‐substituted derivatives of anti‐(2R,3S)‐1,3‐diamino‐4‐phenylbutan‐2‐ol are important building blocks for the synthesis of therapeutically important molecules. We describe a simple protocol that allows transformation of N,N‐dibenzyl‐L‐phenylalaninal into such compounds in only two steps. The first step is a fully stereoselective three‐component MAC (Masked Acyl Cyanide) oxyhomologation reaction implicating different amines to give a panel of ten N,N‐dibenzyl‐O‐tert‐butyldimethylsilyl‐protected anti‐(2S,3S)‐allophenylnorstatin amides. The second step is a carbonyl‐activated hydride deprotection/reduction protocol using trimethylsilyl chloride and lithium aluminium hydride; the one‐pot two‐component system is more efficient than the alternative approach of isolating the deprotected amide intermediate before reduction.
Fast simulation of coronary in‐stent restenosis: A non‐intrusive data‐driven reduced order surrogate model
Authors: Shi Jianye , Manjunatha Kiran , Reese Stefanie
Published: October 2024

Modeling and simulation of coronary artery disease (CAD) is of great importance for supporting and predicting the outcome of percutaneous coronary intervention (PCI). However, an in silico model generally requires heavy computational resources. An effective reduced order surrogate model is indispensable in this context. This study aims to develop a non‐intrusive data‐driven reduced order surrogate model for coronary in‐stent restenosis (ISR) incorporating anti‐inflammatory drugs embedded in the drug‐eluting stents. The constitutive model includes a detailed multiphysics approach based on partial differential equations (PDEs), which include descriptions of platelet aggregation, growth‐factor release, cellular motility and drug deposition. Dimensionality reduction is carried out based on a 3D convolutional autoencoder, which comprises an encoder and decoder. The former condenses the full‐order solution into a lower‐dimensional latent space, while the latter recovers the full solution from the latent space. Special attention is paid to handle the multidimensional outputs and network architecture.
Tribological and mechanical endowments of polyoxymethylene by liquid‐phase exfoliated graphene nanofiller
Authors: Rustamov Ibrohim , Xiang Lehong , Xia Yinshui , Peng Wenfei
Published: October 2024

In this study, a viable route to the development of a high‐performance polyoxymethylene (POM)‐based nanocomposite is proposed to overcome tribomechanical‐related issues in high‐precision sliding parts. Prior to melt‐blending, graphene nanoplatelet (GNP) filler was processed via a series of liquid‐phase exfoliation and surface modification with 3‐aminopropyltriethoxysilane. Results indicate that GNP is successfully exfoliated with minimum defect ratio and improves interfacial bonding within the matrix. Uniform dispersion and stable load‐transfer capability of POM/GNP with 0.5 wt% loading significantly enhanced flexural, tensile and impact strength by overall 26.4%, in contrast to unfilled POM. Dry friction tests against a steel ball also showed the lowest reduction in friction coefficient and wear rate by 22% and 40.6%, respectively, at the same amount of GNP loading due to the large specific surface coverage and lubricious transfer film chelation onto the steel counterface. Furthermore, dissipated energy accumulation by friction work was calculated in the sliding interfaces based on friction force–displacement hysteresis loop where the POM/GNP 0.5 wt% wear surface consumed ca 21.7% less energy in a dry frictional shearing process compared to neat POM. However, lack or excess loading of processed GNP exhibited insufficient or poor matrix–filler adhesion and led to deterioration of the composite properties due to particle agglomeration which can cause stress concentration and serve as a failure site. The adoption of the proposed methodology would demonstrate excellent material characteristics in thin‐walled precision parts where both mechanical and tribological performances are the primary concern. © 2024 Society of Chemical Industry.
Proteomics analysis of round and wrinkled pea (Pisum sativum L.) seeds during different development periods
Authors: Daba Sintayehu D. , Panda Punyatoya , Aryal Uma K. , Kiszonas Alecia M. , Finnie Sean M. , McGee Rebecca J.
Published: October 2024

Seed development is complex, influenced by genetic and environmental factors. Understanding proteome profiles at different seed developmental stages is key to improving seed composition and quality. We used label‐free quantitative proteomics to analyze round and wrinkled pea seeds at five growth stages: 4, 7, 12, 15, and days after anthesis (DAA), and at maturity. Wrinkled peas had lower starch content (30%) compared to round peas (47%–55%). Proteomic analysis identified 3659 protein groups, with 21%–24% shared across growth stages. More proteins were identified during early seed development than at maturity. Statistical analysis found 735 significantly different proteins between wrinkled and round seeds, regardless of the growth stage. The detected proteins were categorized into 31 functional classes, including metabolic enzymes, proteins involved in protein biosynthesis and homeostasis, carbohydrate metabolism, and cell division. Cell division‐related proteins were more abundant in early stages, while storage proteins were more abundant later in seed development. Wrinkled seeds had lower levels of the starch‐branching enzyme (SBEI), which is essential for amylopectin biosynthesis. Seed storage proteins like legumin and albumin (PA2) were more abundant in round peas, whereas vicilin was more prevalent in wrinkled peas. This study enhances our understanding of seed development in round and wrinkled peas.

The study highlighted the seed growth patterns and protein profiles in round and wrinkled peas during seed development. It showed how protein accumulation changed, particularly focusing on proteins implicated in cell division, seed reserve metabolism, as well as storage proteins and protease inhibitors. These findings underscore the crucial role of these proteins in seed development. By linking the proteins identified to Cameor‐based pea reference genome, our research can open avenues for deeper investigations into individual proteins, facilitate their practical application in crop improvement, and advance our knowledge of seed development.
Thiol‐Acrylate Gel Systems For Frontal Polymerization
Authors: Adrewie Dominic , Rocha Monica , Fuller Mason , Pojman John A.
Published: October 2024

A trithiol‐triacrylate gel system for frontal polymerization was explored to establish the gelation time, shelf life, and frontal kinetics. The free‐standing gels were created by triethylamine‐catalyzed Michael addition of trimethylolpropane tris(3‐mercaptopropionate) to trimethylolpropane triacrylate such that sufficient acrylate functional groups were left unreacted to allow free‐radical frontal polymerization with the initiator 1,1‐bis(tert‐butylperoxy)‐3,3,5‐trimethylcyclohexane (Luperox 231). Systems with gelation times between 30 and 60 min that support frontal polymerization after up to 28 days of storage were achieved. The front velocity was found to depend on the 1,1‐bis(tert‐butylperoxy)‐3,3,5‐trimethylcyclohexane concentration. However, the amount of triethylamine, which was used to catalyze gel formation, did not significantly affect front velocity. The gel diameter and addition of milled carbon fiber (Zoltek px35) affected the front velocity. Cracks during frontal polymerization were reduced when Zoltek px35 was added to the formulation, which also increased the mechanical strength. Complex geometries of free‐standing gels were successfully polymerized. This system is potentially useful in situations where molding and reshaping gels are required prior to frontal polymerization, as well as enabling the ability to examine how mechanical forces like stretching and compression can affect front kinetics.
Understanding LC/MS‐Based Metabolomics: A Detailed Reference for Natural Product Analysis
Authors: Sarkar Jyotirmay , Singh Rajveer , Chandel Shivani
Published: October 2024

Liquid chromatography, when used in conjunction with mass spectrometry (LC/MS), is a powerful tool for conducting accurate and reproducible investigations of numerous metabolites in natural products (NPs). LC/MS has gained prominence in metabolomic research due to its high throughput, the availability of multiple ionization techniques and its ability to provide comprehensive metabolite coverage. This unique method can significantly influence various scientific domains. This review offers a comprehensive overview of the current state of LC/MS‐based metabolomics in the investigation of NPs. This review provides a thorough overview of the state of the art in LC/MS‐based metabolomics for the investigation of NPs. It covers the principles of LC/MS, various aspects of LC/MS‐based metabolomics such as sample preparation, LC modes, method development, ionization techniques and data pre‐processing. Moreover, it presents the applications of LC/MS‐based metabolomics in numerous fields of NPs research such as including biomarker discovery, the agricultural research, food analysis, the study of marine NPs and microbiological research. Additionally, this review discusses the challenges and limitations of LC/MS‐based metabolomics, as well as emerging trends and developments in this field.
Evaporation, spreading, and possible uptake of droplets on sorghum (Sorghum bicolor) and cowpea (Vigna unguiculata) leaves using an imaging‐based technology
Authors: Makhnenko Iaroslav , Hoerning Cody , Sawall Dustyn D , Fredericks Steven A , Alonzi Elizabeth R , Dutcher Cari S
Published: October 2024

BACKGROUND

Sprayed agrochemical droplets have a dynamic evolution on the leaf surface, undergoing changes in shape and volume due to spreading, evaporation, and adsorption. To better understand these processes, an accessible imaging‐based experimental methodology is presented to precisely measure droplet spreading, evaporation, and potential uptake by a leaf within a controlled relative humidity environment. Laboratory experiments were conducted to determine the effect of hydrocarbon surfactants, accelerators (light mineral oil), and humectants (high fructose corn syrup) on droplet spread, evaporation, and potential uptake when applied to sorghum (Sorghum bicolor ‘Tricker’) and cowpea (Vigna unguiculata) leaves.

RESULTS

Experiments on cowpea leaves showed uniform spreading and no change in evaporation compared to the predicted rate. In contrast, on sorghum leaves, results suggest that the volume loss rate exceeds the predicted evaporation rate (up to 23%), indicating a potential uptake by the leaves. Some accelerated dynamics on sorghum can be attributed to the lateral spreading observed on hairy leaves along the veins, increasing the contact area by an average of 65%. However, samples containing light mineral oil, typically considered an accelerant to aid in uptake, demonstrated the highest rate but exhibited minimal spreading.

CONCLUSIONS

The study demonstrates how droplet composition affects droplet dynamics on waxy and hairy leaves by using an imaging‐based methodology to measure evaporation rates, volume loss, contact angle, wetted area, and spreading behavior. The findings highlight some of the complex coupling between the crop protection product composition and droplet life cycle on a leaf. © 2024 The Author(s). Pest Management Science published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.
Ectopic expression of the mitochondrial protein COXFA4L3 in human sperm acrosome and its potential application in the selection of male infertility treatments
Authors: Fujisawa Yusuke , Kikuchi Sayaka , Kuba Fujino , Oishi Kosei , Murayama Soushi , Sugiyama Tomoya , Tokito Reiji , Ueno Hiroe , Kashiwabara Shin‐ichi , Yumura Yasushi , Kurihara Yasuyuki
Published: October 2024

Purpose

Spermatogenesis requires a large amount of energy, which is primarily produced by the mitochondrial electron transfer chain. Mitochondrial dysfunction affects male infertility, suggesting a relationship between the electron transfer chain and male infertility. COXFA4L3 (C15ORF48) is an emerging subunit protein of cytochrome oxidase specifically expressed in germ cells during spermatogenesis, and it may be involved in male infertility. Therefore, to investigate whether COXFA4L3 could be a marker of mitochondrial dysfunction in the sperm, this study examined the protein expression and localization profile of COXFA4L3 in the sperm of male patients with infertility.

Methods

Twenty‐seven semen samples from a male infertility clinic at the Reproductive Center of Yokohama City University Medical Center were used to analyze sperm quality parameters and the expression and localization of energy production‐related proteins. These data were compared with the outcomes of infertility treatment.

Results

The expression levels of COXFA4L3 varied significantly between samples. Furthermore, COXFA4L3 was ectopically localized to the acrosome.

Conclusions

Ectopic expression of COXFA4L3 and PNA‐stained acrosomes may be useful parameters for fertility treatment selection. Assessing the acrosomal localization of COXFA4L3 will expedite pregnancy treatment planning.
H∞$$ {\boldsymbol{H}}_{\mathbf{\infty}} $$ Control With Event‐Triggered Mechanism for T‐S Fuzzy System Under Multiple Cyber‐Attacks
Authors: Tan Cheng , Gao Chengzhen , Guo Ge
Published: October 2024

The problem of event‐triggered control for networked Takagi–Sugeno (T‐S) fuzzy system under aperiodic DoS attacks and deception attacks is investigated. First, an event generator is introduced in the Sensor‐to‐Controller channel to determine the transmission of data. At the same time, the Sensor‐to‐Controller channel is assumed to be subjected to deception attacks that are randomly distributed but not Bernoulli distributed. Next, the impact of aperiodic DoS attacks on the Controller‐to‐Actuator channel is further considered, and the DoS attack behavior is described in terms of attack period and frequency. The article designs an adaptive resilience event‐triggered mechanism (ARETM), which is aimed at circumventing the ineffective data updating in the “active” phase of the DoS attacks, thereby realizing the effective saving of communication resources and mitigating the adverse effects of DoS attacks. Then, the switched fuzzy system is established to cope with the different states of the DoS attackers. Using the piecewise Lyapunov function, a design method for the controller gains and the ARETM matrix is obtained, which allows the system to be stabilizable and obtain performance under the control action. Finally, the effectiveness of the ARETM‐based control strategy is confirmed by simulation experiment.
Dynamic Self‐Reconstruction Heterostructures: Boosting the High‐Stability for Hydrogen Evolution of NiMo Alloys in Acidic Environments
Authors: Li Jieyao , Hu Wenhui , Sun Lingna , Zhang Lei , Zhang Qianling , Ren Xiangzhong , Li Yongliang
Published: October 2024

Electrocatalytic water splitting is considered one of the most promising approaches for large‐scale hydrogen production. However, designing transition metal catalysts with high durability under acidic conditions remains a significant challenge. The durability of the catalyst is closely related to the changes of the catalyst during its operation, and constructing effective surface reconstruction strategies can help address the durability issues of transition metals in acidic hydrogen evolution reactions (HER). Herein, the spontaneous formation of surface‐reconstructed heterostructures of NiMo alloys is reported during the HER in acidic media. The surface of the catalyst is characterized by the presence of Ni/Mo metal nanoparticles and NixMoyOz nanosheets, which coexist as HER proceeds. Notably, the E‐Ni90Mo10/CC After 96 h catalyst demonstrates a significantly reduced overpotential of 56.84 mV at 10 mA cm⁻2 in 0.5 m sulfuric acid, which is better than other E‐Ni90Mo10/CC counterparts. Both experimental data and theoretical calculations suggest that these spontaneously formed heterostructures are helpful for optimizing hydrogen adsorption. Furthermore, the downward shift of the d‐band center within the heterostructure (Ni90Mo10/NixMoyOz) is found to facilitate the desorption of intermediate products, thereby enhancing the overall HER activity. This work provides a new perspective for designing highly durable transition metal catalysts for acidic HER.
Chemical‐Physical Synergistic Assembly of MXene/CNT Nanocoatings in Silicone Foams for Reliable Piezoresistive Sensing in Harsh Environments
Authors: Chen Zuan‐Yu , Liu Shuai‐Chi , Wu Yu‐Xi , Wu Yu‐Yue , Peng Li‐Dong , Wang Ye‐Jun , Nie Feng , Zhao Li , Lv Pei‐Yuan , Cao Cheng‐Fei , Li Yang , Zhang Guo‐Dong , Bae Joonho , Cao Kun , Tang Long‐Cheng
Published: October 2024

Owing to their high sensitivity across a wide stress range, mechanical reliability, and rapid response time, flexible polymer foam piezoresistive sensors have been extensively used in various fields. The reliable application of these sensors under harsh environments, however, is severely limited by structural devastation and poor interfacial bonding between polymers and conductive nanoparticles. To address the above issues, robust MXene/CNT nanocoatings on the foam surface, where the chemical assembly of MXene nanosheets and the physical anchoring of CNTs lead to strong interfacial bonding, are designed and described, which endows foams with structural reliability and unexpected multi‐functionalities without compromising their instinct properties. The optimized foam nanocomposites thus maintain outstanding wide‐temperature flexibility (−60–210 °C) and elasticity (≈3% residual strain after 1000 cycles). Moreover, the nanocomposites display good sensitivity at a relatively wide stress range of 0–70% and remarkable stability under acidic and alkaline settings. Furthermore, the foams with exceptional fire resistance (UL‐94 V‐0 rating) can provide stable sensing behavior (over 300 cycles) even after being exposed to flames for 5 s, making them one of the most reliable sensing materials so far. Clearly, this work widens applications of flexible piezoresistive sensors based on silicone foam nanocomposites for various harsh environments.
Mechanically Exfoliated InP Thin Films for Solar Energy Conversion Devices
Authors: Gupta Bikesh , Parul  , Lee Yonghwan , Soo Joshua Zheyan , Adhikari Sonachand , Cheong Lem Olivier Lee , Jagadish Chennupati , Tan Hark Hoe , Karuturi Siva
Published: October 2024

III‐V semiconductors are favoured photo absorber materials for solar energy conversion due to their ideal bandgap, yet their high‐cost hinders widespread adoption. Utilizing thin films of these semiconductors presents a viable way to address the cost‐related challenges. Here, a novel mechanical exfoliation technique is demonstrated, also known as controlled spalling, as a cost‐effective and facile way to obtain thin films of III‐V semiconductors. As a proof of concept, 15 μm thick InP films are successfully exfoliated from their original wafers. Thorough characterization using cathodoluminescence and photoluminescence spectroscopy confirms that the opto‐electronic properties of the exfoliated InP films remain unaffected. Utilizing these InP thin films, InP thin‐film heterojunction solar cells with efficiencies exceeding 13% are demonstrated. Additionally, InP photoanodes are fabricated by integrating NiFeOOH catalyst onto these InP thin‐film solar cells, achieving an impressive photocurrent density of 19.3 mA cm−2 at 1.23 V versus reversible hydrogen electrode, along with an applied bias photon‐to‐current efficiency of ≈4%. Overall, this study showcases the efficacy of controlled spalling in advancing economically viable and efficient III‐V semiconductor‐based solar energy conversion devices.
Boosting FRET Efficiency of Chromophores with Aggregation‐Caused Quenching by a Crystallization‐Induced Precise Co‐assembly Strategy
Authors: Zhou Qian , Zhang Xiaomin , Ning Lijian , Song Yuhui , Wang Yanli , Feng Jinkun , Sun Chun‐Lin , Li Jun , Gong Qiuyu , Zhang Qichun , Huang Yinjuan
Published: October 2024

Förster resonance energy transfer (FRET) plays a critical role in organic optoelectronic materials. However, developing facile and effective strategies to achieve high‐efficiency energy harvesting of chromophores with aggregation‐caused quenching (ACQ) remains an appealing yet challenging task, that has not yet been explored. Herein, a subtly strategy, crystallization‐induced precise co‐assembly (CIPCA) involving a molecular “lightening agent,” to effectively improve FRET efficiency of ACQ chromophores is developed. Bis(phenylethynyl)anthracene (BPA) and bis(phenylethynyl)naphthacene (BPN) with significant ACQ effect are chosen as representative FRET donor and acceptor, respectively, and weakly‐fluorescent octafluoronaphthalene (OFN) acted as the “lightening agent.” Thanks to precise co‐assembly with OFN, the PLQY of solid BPA is enhanced by 107%, and the BPN powder can be unprecedentedly lighted. More importantly, through such powerful CIPCA, the monotonous and weak emission for BPA@BPN can be remarkably regulated to colorful and much brighter ones with FRET efficiency improvement of as high as 180–270%. An in‐depth understanding of FRET regulation is elucidated through a precise correlation of the supramolecular structures and properties. Such achievements allow to successfully fabricate distinct multi‐stimuli‐responsive fluorescent patterns and highly‐emissive colorful flowers with high flexibility. This research provides an efficient strategy to improve the FRET efficiency of ACQ pairs.
Solution‐Processed Tin‐Antimony Quaternary Chalcohalides for Self‐Powered Broadband Photodetectors
Authors: Manna Debjit , Mokurala Krishnaiah , Grandhi G. Krishnamurthy , Al‐Anesi Basheer , Viswanath Noolu Srinivasa Manikanta , Sugathan Vipinraj , Tewari Amit , Doyranli Ceylan , Vivo Paola
Published: October 2024

The mixed‐metal quaternary chalcohalides of group IV and V elements are a promising class of low‐toxicity perovskite‐inspired materials with tunable bandgaps and desirable defect tolerance. Sn2SbS2I3 is known for its broadband absorption, low exciton binding energy, ambient stability, and solution processability in thin films. However, its use in optoelectronic devices has so far been only limited to solar cells. In this work, the first self‐powered photodetectors based on Sn2SbS2I3 thin films, sandwiched in an n–i–p device configuration are reported. The insertion of an interlayer at the hole‐transport layer/gold top‐electrode interface reduces the dark current and improves the device performance. The high external quantum efficiency of the devices in the range of 350−900 nm hints to a broadband spectral photoresponsivity. The devices indeed exhibit promising photodetection properties, namely a photoresponsivity of 0.33 A W−1, a specific detectivity of 1.55 × 1012 Jones, and photoresponse/decay times of 0.52 and 0.45 s at zero bias voltage. These results, combined with the excellent operational stability of the photodetectors, encourage the exploration of a wide range of practical light‐sensing applications for quaternary chalcohalides and stimulate device and material engineering to further enhance photodetection across the UV‐Visible‐NIR spectrum.
Quality by Design Approach Driven Development and Validation of Reverse Phase‐High‐Performance Liquid Chromatography Methodology for Dual Quantification of Aspirin and Rivaroxaban
Authors: Patel Mehul , Patel Hetali , Patel Rashmin , Shah Umang , Thakkar Mansi , Patel Ashish , Patel Swayamprakash , Solanki Nilay
Published: October 2024

Clinical trials have shown that combining a modest dose of Rivaroxaban (RIV) with Aspirin (ASP) is more effective than ASP alone in reducing cardiovascular mortality, myocardial infarction, and stroke. A high‐performance liquid chromatography method developed using Quality by Design (QbD) effectively estimates ASP and RIV for routine pharmaceutical analysis. The Plackett‐Burman design assessed key factors including organic phase volume, mobile phase pH, flow rate, temperature, and injection volume using an Ishikawa fish‐bone diagram for risk assessment. These parameters were then optimized via Box‐Behnken design in 15 trials. The method meets the International Council For Harmonization standards with a mobile phase ratio of 45:55 (v/v) acetonitrile: buffer (pH 3, adjusted with orthophosphoric acid), a flow rate of 1 mL/min, a column temperature of 30°C, and an injection volume of 20 µL. A Phenomenex Luna C18 column (250 × 4.6 mm, 5 µm particle size) with detection at 251 nm ultra‐violet wavelength. The retention times of 4.54 min for ASP and 5.81 min for RIV were obtained. Validation confirmed linear ranges: 40–200 µg/mL for ASP and 2–10 µg/mL for RIV, with excellent recovery rates (ASP: 99.30%–101.9%; RIV: 98.52%–101.84%). Developed using QbD principles, the method proved specific, accurate, precise, sensitive, and robust for routine quality control of both compounds in pharmaceutical formulations.
Genome‐wide association study uncovers pea candidate genes and metabolic pathways involved in rust resistance
Authors: Osuna‐Caballero Salvador , Rubiales Diego , Rispail Nicolas
Published: October 2024

Pea (Pisum sativum L.) is an important temperate legume crop providing plant‐based proteins for food and feed worldwide. Pea yield can be limited by several biotic stresses, among which rust represents a major limiting factor in many temperate and subtropical regions. Some efforts have been made to assess the natural variation in pea resistance to rust, but its efficient exploitation in breeding is limited since the resistance loci identified so far are scarce and their responsible gene(s) unknown. To overcome this knowledge gap, a comprehensive genome‐wide association study (GWAS) has been performed on pea rust, caused by Uromyces pisi, to uncover genetic loci associated with resistance. Utilizing a diverse collection of 320 pea accessions, we evaluated phenotypic responses to two rust isolates using both traditional methods and advanced image‐based phenotyping. We detected 95 significant trait‐marker associations using a set of 26,045 Diversity Arrays Technology‐sequencing polymorphic markers. Our in silico analysis identified 62 candidate genes putatively involved in rust resistance, grouped into different functional categories such as gene expression regulation, vesicle trafficking, cell wall biosynthesis, and hormonal signaling. This research highlights the potential of GWAS to identify molecular markers associated with resistance and candidate genes against pea rust, offering new targets for precision breeding. By integrating our findings into current breeding programs, we can facilitate the development of pea varieties with improved resistance to rust, contributing to sustainable agricultural practices and food security. This study sets the stage for future functional genomic analyses and the application of genomic selection approaches to enhance disease resistance in peas.
Consumer Perception of Personal Care Products and Cosmetics on Health and Environmental Effects
Authors: Gamage Sachith Gihan , Mahagamage Mahagama Gedara Yohan Lasantha
Published: October 2024

Personal care products and cosmetics have become an essential part of present society. Since the composition of these products directly correlates with public health and the environment, understanding consumer behaviors and attitudes is a significant aspect in controlling their negative impacts. The present study surveyed 300 consumers in Sri Lanka to attain insights into the selection, usage, disposal, and participants' attitudes and knowledge of these products. The majority of the respondents were female (58%) and 71% were between the ages of 18 and 65. Most of them (48%) selected products by their evaluations and 34% were highly concerned about the ingredients. Removal of applied products was mainly done by washing (97%) and in many households, generated wastewater ended up in wastewater gullies (69%). The remaining plastic packages were discarded into municipal garbage trucks (42%) or burned (31%). Alarmingly, 29% of the participants have experienced some kind of adverse reaction by using these products during their lifetime. Therefore, proper monitoring, waste management, and regulation of these products could be beneficial to control many related health and environmental consequences.
Water Quality Analysis and Risk Assessment of Potential Toxic Elements in Selected Surface Water Around Mining Sites in Abuakwa South Municipal, Ghana
Authors: Baah Douglas Siaw , Amissah Lucy , Foli Gordon , Gikunoo Emmanuel , Atambire James
Published: October 2024

Surface water quality at Abuakwa South Municipal has received threats from surrounding mining communities, which are becoming a major concern to the public. As a result, this study aimed to assess water quality by examining the concentration of lead (Pb), cadmium (Cd), and zinc (Zn) pollution in surface water. Fifteen samples were obtained from surface water using a 1.5 L plastic bottle. The mean concentrations of Pb and Cd were above WHO guidelines of 0.01 and 0.003 mg/l, respectively, except for Zn which was below the stipulated limit of 3.0 mg/l. The geochemical process model shows that Cd, Pb, and Zn are adsorbing (released from the drainage to the surrounding environment) in sites 1 and 3 whereas Pb is desorbing (added to the drainage) in site 2. A hazard quotient greater than 1 was recorded for Cd in adults through the ingestion route of exposure at all the sites. Cancer risk also shows that the inhabitants are at risk through the ingestion route of exposure. The findings of this study suggest intake of water draining within the vicinity is unsafe and poses severe health risks.
Production of Autoclaved Cementitious Composites Using Recycled Waste Glass
Authors: Kariem Mohamed Asef , Frag Eman Yossri , El‐Sherif Ahmed A. , Abdelrazak Taha A. , Hazem Mahmoud M.
Published: October 2024

One of the major negative environmental implications of economic growth and the advancement of information technology is the large quantity of electronic waste dumped in landfills. Cathode ray tubes (CRTs) from outdated televisions and computer monitors are a significant source of electrical waste. The CRT funnel primarily consists of silica, significant alkalis (Na2O‐K2O), and heavy metals like barium‐strontium, along with a substantial lead (Pb) content that may contaminate the soil. Owing to its heavy metal content, CRT is considered hazardous waste, and regulations require its glass to be recycled or repurposed instead of landfill disposal. The low pozzolanic activity of CRT silica suggests that its high content, when paired with an optimized particle size and specific curing conditions, can enhance the mechanical properties of cement‐based products. Hydrothermal treatment has been found to speed up both the hydration of ordinary Portland cement (OPC) and the pozzolanic reactions. Since the main objective was to safely recycle large amounts of CRT, three mixes were proposed with 10%, 20%, and 30% OPC + 90%, 80%, and 70% CRT, respectively, and the effect of hydrothermal curing conditions on mechanical properties and durability of these blends was investigated. CRT‐70, a blend containing 70% CRT glass waste, showed enhanced strength due to the formation of zeolitic phases and calcium silicate hydrate (CSH). These phases also provided CRT‐70 with notable fire resistance, ensuring its structural stability under elevated temperatures. These results demonstrate the possibility of production of precast building products via high‐volume recycling of hazardous CRT waste.
Bailout test, HYDRUS‐2D, and analytical modeling for estimating permeability of ephemeral stream bed
Authors: Al‐Yaqoubi Shahad , Al‐Maktoumi Ali , Kacimov Anvar , Al‐Ismaily Said , Al‐Mayahi Ahmed
Published: October 2024

Accurate estimation of effective saturated hydraulic conductivity (Ksat) of a vadose zone with an underlying shallow perched aquifer is challenging. Standard pumping tests and double‐ring infiltrometers are unsuitable for this purpose. Therefore, a bailout test (BOT) was conducted in nine soil pits to evaluate the hydraulic properties of the vadose zone and the subjacent shallow‐perched aquifer in a porous bed of a wadi in Oman. The analytical (Kirkham's type) and numerical (HYDRUS‐2D) models were also used. Upon instantaneous emptying, the water level rises in a pit, owing to seepage from the ambient shallow aquifer. The draw up was monitored and compared with modeling, which assumes a homogeneous or layered van Genuchten's soil. The soils of the excavated pits were characterized as sandy‐textured, gleyed, and containing calcareous and clay‐enriched layers. A good match between HYDRUS‐analytical results for layered soils and an idealized homogeneous one illustrates that BOT is a robust and quick technique for the estimating Ksat = 2–3 cm/h in the coarse‐textured wadi bed vadose zone overlaying a transient water table. BOT is better than classical auger hole tests because they test a larger soil volume through induced seepage. BOT is also more suitable for drainage trenches and other excavations, allowing for easier observation, soil sampling from the banks, and rapid dewatering.
Elucidating the Hierarchical Nature of Behavior with Masked Autoencoders
Authors: Stoffl Lucas , Bonnetto Andy , d’Ascoli Stéphane , Mathis Alexander
Published: October 2024

Natural behavior is hierarchical. Yet, there is a paucity of benchmarks addressing this aspect. Recognizing the scarcity of large-scale hierarchical behavioral benchmarks, we create a novel synthetic basketball playing benchmark (Shot7M2). Beyond synthetic data, we extend BABEL into a hierarchical action segmentation benchmark (hBABEL). Then, we develop a masked autoencoder framework (hBehaveMAE) to elucidate the hierarchical nature of motion capture data in an unsupervised fashion. We find that hBehaveMAE learns interpretable latents on Shot7M2 and hBABEL, where lower encoder levels show a superior ability to represent fine-grained movements, while higher encoder levels capture complex actions and activities. Additionally, we evaluate hBehaveMAE on MABe22, a representation learning benchmark with short and long-term behavioral states. hBehaveMAE achieves state-of-the-art performance without domain-specific feature extraction. Together, these components synergistically contribute towards unveiling the hierarchical organization of natural behavior. Models and benchmarks are available at https://github.com/amathislab/BehaveMAE.
Challenges for AI in Healthcare Systems
Authors: Bertl Markus , Lamo Yngve , Leucker Martin , Margaria Tiziana , Mohammadi Esfandiar , Mukhiya Suresh Kumar , Pechmann Ludwig , Piho Gunnar , Rabbi Fazle
Published: October 2024

This paper overviews the challenges of using artificial intelligence (AI) methods when building healthcare systems, as discussed at the AIsola Conference in 2023. It focuses on the topics (i) medical data, (ii) decision support, (iii) software engineering for AI-based health systems, (iv) regulatory affairs as well as (v) privacy-preserving machine learning and highlights the importance and challenges involved when utilizing AI in healthcare systems.
Future Opportunities for Systematic AI Support in Healthcare
Authors: Bertl Markus , Piho Gunnar , Draheim Dirk , Ross Peeter , Pechmann Ludwig , Bucciarelli Nicholas , Sharma Rahul
Published: October 2024

Artificial Intelligence (AI) holds transformative potential to revolutionize healthcare delivery and outcomes. However, the literature suggests that focusing solely on AI algorithms leads to low adoption rates. AI needs to be introduced systematically into healthcare. This paper builds on this approach and synthesizes existing literature and authors’ insights to critically examine the current landscape and future opportunities for systematic AI support in healthcare. The multifaceted applications of AI, ranging from disease prediction to personalized medicine, are explored with a focus on AI’s potential to optimize employee performance, alleviate healthcare staff burdens, and enhance patient care. However, challenges such as limited access to unbiased data sets, connectivity issues, and ethical concerns pose significant barriers to AI adoption in healthcare.