bluuebunny/crossref_metadata_2025 huggingface dataset:
Time‐Encoded Information Encryption with pH Clock Guided Broad‐Spectrum Emission by Dynamic Assemblies
Authors: Das Priyam , Das Tanushree , Koley Suprotim , Kumar Baroi Malay , Das Saurav , Mohanty Jyotirmayee , Das Debapratim
Published: August 2024

With growing threats from counterfeiting‐based security breaches, multi‐level and specific stimuli‐responsive anti‐counterfeiting devices and message encryption methods have attracted immense research interest. Fluorescence‐based encryption from aggregation‐induced emission (AIE)‐based materials solves the problems to a considerable extent. However, the development of smarter patterns with hierarchical security levels alongside dynamic display is still challenging. To screen out this complication, we bring forward a pH‐switchable fluorescent assembly of an AIEgen and an aliphatic acid. We later temporally direct the molecular assembly with the aid of a chemical trigger‐regulated pH clock, generating a transitory multicolor emission, including transient white light generation. The pH‐dependent emissions were further implemented in constructing smart multi‐input fluorescent chemical AND gates. Subsequently, we integrate the time‐gated emissive system to develop an advanced multi‐dimensionally secure data encryption strategy. This novel approach enhances anti‐counterfeiting measures by introducing an additional layer of security based on temporal characteristics.
The chemical crosslinking effect of polybenzimidazole/polyvinyl alcohol blend membranes for proton exchange membrane fuel cells: An experimental study
Authors: Çalı Aygün , Ar İrfan
Published: August 2024

In this survey, the different weight ratios of polybenzimidazole (PBI)/polyvinyl alcohol (PVA) blend polymer membranes were produced using the solution‐casting method. The crosslinking agents of phosphoric acid (PA) and glutaraldehyde (GA) were studied separately to prevent the PVA water solubility in the PBI/PVA blend membrane structure. The GA crosslinking (24 h) successfully prevented membrane solubility, reducing it to below 1%. The chemically crosslinked blend membrane (Cr‐PBI/PVA‐9:1) has the highest proton conductivity result which is 0.209 S cm−1 at 80°C and it has excellent oxidative stability since the membrane only lost 4% of its weight in a Fenton agent after 96 h. The Cr‐PBI/PVA‐9:1 also has higher proton conductivity than the commercial PBI membrane (0.122 S cm−1 at 80°C). The glass transition temperature of the synthesized Cr‐PBI/PVA‐9:1 blend membrane is greater than the synthesized PBI membrane (390°C). The current density and power density measured at 0.6 V for the synthesized Cr‐PBI/PVA‐9:1 membrane were found to be 504 mA cm−2and 251 mW cm−2. This work sheds light on the potential use of PVA in PEMFC applications by mixing PVA with a high‐temperature polymer like PBI and crosslinking the membrane with a prepared GA crosslinking agent.
Development of shape memory epoxy resin/polyethylene glycol film based on molecular dynamics simulation and performance investigation
Authors: Hu Baoji , Zhai Manman , Shen Jiayi , Li Mengying , Shen Saibin , Liu Jianhong , Zhao Ningbo , Yang Shichang , Shao Weili , Zhang Qiaoling
Published: August 2024

Based on the molecular dynamics (MD) simulation of glass transition temperature (Tg) and hydrogen bonding in the composite system of epoxy resin (Ep) and polyethylene glycol (PEG), this work developed shape memory Ep/PEG (EpP) films with controllable thermal response, recycling and reprocessing functions using melt dispersion and polymerizing‐pressing processes. EpP films with different PEG contents exhibit excellent shape memory performance, among which the shape recovery rate of EpP‐5 film can reach 92.7%, which can recover from complex structures to the initial shape. The PEG in the composite system can effectively regulate the thermal and mechanical properties of EpP, especially increasing the strain at break and reducing the Tg. Compared with EpP‐0 film. The Tg of EpP‐15 film increased by 40°C and the strain at break increased by 18.56%. Furthermore, compared with the EpP‐0 film, the recycling‐reprocessing temperature of EpP‐15 film has been reduced by 75°C. In summary, based on MD simulation, shape memory EpP films with controllable thermal response, recycling, and reprocessing functions have been successfully developed, and have shown considerable application prospects in the field of intelligent materials.
Natural light‐triggered microcapsules for non‐contact and autonomous healing of surface damages on insulating materials
Authors: Zhang Ying , Liu Qichang , Wang Mingwei , Niu Chaolu , Liu Zhe , Fang Zheng , Tang Wenxu , Chen Qiulin , Sun Potao , Sima Wenxia
Published: August 2024

In the process of curing or service, epoxy resin is prone to crack damage due to complex stress, resulting in material performance degradation and other catastrophic accidents. Self‐healing microcapsules offer an effective strategy to address the aforementioned issues and enhance the long‐term durability of materials. However, traditional microcapsules face challenges in achieving non‐contact repair, as the healing agent requires high temperature or other extreme conditions to achieve curing, which necessitates the artificial provision of these conditions. Moreover, such extreme conditions may accelerate equipment aging or negatively impact the matrix material. To address these issues, this paper reports a photosensitive microcapsule that can achieve healing by natural light for non‐contact self‐healing of insulating composites. In particular, SiO2 nanoparticles are incorporated into the shell of the microcapsules to construct a UV shielding layer, effectively preventing premature curing and failure of the untriggered microcapsules. Experimental results indicate that the proposed photosensitive microcapsule@SiO2 exhibits excellent thermal stability, remaining intact at temperatures up to 200°C. With a healing agent content of approximately 77.5%, the photosensitive microcapsule@SiO2 ensures effective repair. Furthermore, when cross‐linked with epoxy resin, it has minimal negative impact on the epoxy matrix, with a slight improvement in mechanical properties. The composites demonstrate outstanding self‐healing performance in response to mechanical scratch damage. Without the need for any artificial stimuli, the healing process can be easily activated by natural light, facilitating intelligent, contactless, and autonomous self‐healing.
A comprehensive analysis of photovoltaic panel integrated thermoelectric cooling system for enhanced power generation
Authors: Chandel Rahul , Chandel Shyam Singh , Prasad Deo , Dwivedi Ram Prakash
Published: August 2024

The integrated photovoltaic‐thermoelectric cooling systems (PV‐TECS) can be used to enhance the performance and life expectancy of commercial PV power plants for sustainable power generation. The objective of the study is to assess the efficacy of PV‐TECS to address these concerns. In this study, computational fluid dynamics/finite element method analysis and experimental investigation of photovoltaic micro‐modules (PVMM‐2) with a thermoelectric cooling system and a reference system without it (PVMM‐1), is carried out under real outdoor conditions. The logged data and infrared thermal imaging analysis results show that thermoelectric cooling is very effective in maintaining a consistent PV back temperature difference of 18.24°C between PVMM‐2 and the reference system, even reaching subzero temperature when the reference module operates close to 60°C. The simulated results are found to be in close agreement with the experimental results (R2 values of 0.83 and 0.94) which allows accurate prediction of system performance under actual solar loading conditions. Further analysis shows that PV‐TECS can be effectively used in photovoltaic power plants for efficiency enhancement with a gain in the range of 1%–22% for a monocrystalline PV module depending on location and type of integration. The study is of interest for further research to develop industrial applications.
Research Advances and Perspectives on Terahertz Detection based on 2D Materials
Authors: Chen Zhuoxuan , Li Zelong , Iqbal Muhammad Ahsan , Arif Nayab , Xing Chenyang , Qi Lu , Zeng Yu‐Jia
Published: August 2024

Terahertz (THz) detection offers unique advantages in penetrating materials opaque to visible light and infrared radiation, which is crucial for applications in security, medical imaging, and material analysis. Despite challenges posed by a lack of suitable optical materials, recent strides in 2D materials, such as graphene, transition metal dichalcogenides (TMDCs), and topological materials, show promise in overcoming these limitations. This review critically examines the exceptional optical and electrical properties of 2D materials, and surveys recent advancements in 2D THz optoelectronics. Finally, the key challenges and prospects in this burgeoning field of research are discussed.
Lipopolysaccharide, arbiter of the gut–liver axis, modulates hepatic cell pathophysiology in alcoholism
Authors: Mak Ki M. , Shekhar Aditya C.
Published: August 2024

Over the last four decades, clinical research and experimental studies have established that lipopolysaccharide (LPS)—a component of the outer membrane of gram‐negative bacteria—is a potent hepatotoxic molecule in humans and animals. Alcohol abuse is commonly associated with LPS endotoxemia. This review highlights LPS molecular structures and modes of release from bacteria, plasma LPS concentrations, induction of microbiota dysbiosis, disruption of gut epithelial barrier, and translocation of LPS into the portal circulation impacting the pathophysiology of hepatic cells via the gut‐liver axis. We describe and illustrate the portal vein circulation and its distributaries draining the gastrointestinal tract. We also elaborate on the gut‐liver axis coupled with enterohepatic circulation that represents a bidirectional communication between the gut and liver. The review also updates the data on how circulating LPS is cleared in a coordinated effort between Kupffer cells, hepatocytes, and liver sinusoidal endothelial cells. Significantly, the article reviews and updates the modes/mechanisms of action by which LPS mediates the diverse pathophysiology of Kupffer cells, hepatocytes, sinusoidal endothelial cells, and hepatic stellate cells primarily in association with alcohol consumption. Specifically, we review the intricate linkages between ethanol, microbiota dysbiosis, LPS production, gut‐liver axis, and pathophysiology of various hepatic cells. The maintenance of the gut barrier structural and functional integrity and microbiome homeostasis is essential in mitigating alcoholic liver disease and improving liver health.
Relationship Between Ultrasound and Physical Examination in the Assessment of Enthesitis in Patients With Spondyloarthritis: Results From the DEUS Multicenter Study
Authors: Di Matteo Andrea , Di Donato Stefano , Smerilli Gianluca , Becciolini Andrea , Camarda Federica , Cauli Alberto , Cazenave Tomás , Cipolletta Edoardo , Corradini Davide , de Agustin Juan Jose , Destro Castaniti Giulia M. , Di Donato Eleonora , Duran Emine , Farisogullari Bayram , Fornaro Marco , Francioso Francesca , Giorgis Pamela , Granados Raquel , Granel Amelia , Hernandez‐Diaz Cristina , Horvath Rudolf , Hurnakova Jana , Jesus Diogo , Karadag Omer , Li Ling , Li Yang , Lommano Maria G. , Marin Josefina , Martire María V. , Michelena Xabier , Muntean Laura , Piga Matteo , Rosemffet Marcos , Rovisco João , Salaffi Fausto , Saraiva Liliana , Scioscia Crescenzio , Tamas Maria‐Magdalena , Tanimura Shun , Venetsanopoulou Aliki , Ventura Rios Lucio , Villota Orlando , Villota‐Eraso Catalina , Voulgari Paraskevi V. , Vukatana Gentiana , Zacariaz Hereter Johana , Grassi Walter , Filippucci Emilio
Published: August 2024

Objective

The study objectives were (i) to explore the agreement between the Outcome Measures in Rheumatology (OMERACT) ultrasound lesions of enthesitis and physical examination in assessing enthesitis in patients with spondyloarthritis (SpA) and (ii) to investigate the prevalence and clinical relevance of subclinical enthesitis in this population.

Methods

Twenty rheumatology centers participated in this cross‐sectional study. Patients with SpA, including axial spondyloarthritis (axSpA) and psoriatic arthritis (PsA), underwent both ultrasound scan and physical examination of large lower limb entheses. The OMERACT ultrasound lesions of enthesitis were considered, along with a recently proposed definition for “active enthesitis” by our group. Subclinical enthesitis was defined as the presence of “active enthesitis” in ≥1 enthesis in patients with SpA without clinical enthesitis (ie, number of positive entheses on physical examination and Leeds Enthesitis Index score = 0).

Results

A total of 4,130 entheses in 413 patients with SpA (224 with axSpA and 189 with PsA) were evaluated through ultrasound and physical examination. Agreement between ultrasound and physical examination ranged from moderate (ie, enthesophytes) to almost perfect (ie, power Doppler and “active enthesitis”). Patellar tendon entheses demonstrated the highest agreement, whereas Achilles tendon insertion showed the lowest. Among 158 (38.3%) of 413 patients with SpA with clinical enthesitis, 108 (68.4%) exhibited no “active enthesitis” on ultrasound. Conversely, of those 255 without clinical enthesitis, 39 (15.3%) showed subclinical enthesitis. Subclinical enthesitis was strongly associated with local structural damage. However, no differences were observed regarding the demographic and clinical profiles of patients with SpA with and without subclinical enthesitis.

Conclusion

Our study underscores the need for a comprehensive tool integrating ultrasound and physical examination for assessing enthesitis in patients with SpA.

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Pushing the TAD boundary: Decoding insulator codes of clustered CTCF sites in 3D genomes
Authors: Huang Haiyan , Wu Qiang
Published: August 2024

Topologically associating domain (TAD) boundaries are the flanking edges of TADs, also known as insulated neighborhoods, within the 3D structure of genomes. A prominent feature of TAD boundaries in mammalian genomes is the enrichment of clustered CTCF sites often with mixed orientations, which can either block or facilitate enhancer–promoter (E‐P) interactions within or across distinct TADs, respectively. We will discuss recent progress in the understanding of fundamental organizing principles of the clustered CTCF insulator codes at TAD boundaries. Specifically, both inward‐ and outward‐oriented CTCF sites function as topological chromatin insulators by asymmetrically blocking improper TAD‐boundary‐crossing cohesin loop extrusion. In addition, boundary stacking and enhancer clustering facilitate long‐distance E‐P interactions across multiple TADs. Finally, we provide a unified mechanism for RNA‐mediated TAD boundary function via R‐loop formation for both insulation and facilitation. This mechanism of TAD boundary formation and insulation has interesting implications not only on how the 3D genome folds in the Euclidean nuclear space but also on how the specificity of E‐P interactions is developmentally regulated.
Biomedical application of microalgal‐biomaterials hybrid system
Authors: Li Yize , Fan Yali , Ye Shuo , Xu Lingyun , Wang Gezhen , Lu Yuli , Huang Suxiang , Zhang Yingying
Published: August 2024

Microalgae are a group of microorganisms containing chlorophyll A, which are highly photosynthetic and rich in nutrients. And they can produce multiple bioactive substances (peptides, proteins, polysaccharides, and fatty acids) for biomedical applications. Despite the unique advantages of microalgae‐based biotherapy, the insufficient treatment efficiency limits its further application. With the development of nanotechnology, the combination of microalgae and biomaterials can improve therapeutic efficacies, which has attracted increasing attention. In this microalgal‐biomaterials hybrid system, biomaterials with excellent optical and magnetic properties play an important role in biological therapy. Microalgae, as a natural vehicle, can increase oxygen content and alleviate hypoxia in diseased areas, further enhancing therapeutic effects. In this review, the synergistic therapeutic effects of microalgal‐biomaterials hybrid system in different diseases (cancer, myocardial infarction, ischemia stroke, chronic infection, and intestinal diseases) are comprehensively summarized.
Oral solid dosage form using alternate crystalline neratinib maleate anhydrous form: Pharmaceutical, bioequivalent, and clinical perspectives
Authors: Ming Congmei , Liu Zhi , Wang Qiong , Liu Ling , Shen Xiaokun
Published: August 2024

Neratinib (an active pharmaceutical ingredient [API]) is an irreversible pan‐human epidermal growth factor receptor (HER) inhibitor used to treat HER2‐positive breast cancer. The dosage form (marketed in the United States, China, Europe, and other regions) is a tablet for oral administration, and the brand product (NERLYNX) has patent protection for the crystalline neratinib maleate monohydrate form. This paper describes the product development using stable crystalline neratinib maleate anhydrous form, stability study, bioequivalence (BE) study of the products, and discussion of the adverse effects observed in the clinical study.
Tandem mass tag‐based proteomics reveals the antiepileptic mechanism of steroidal saponins from Anemarrhena asphodeloides in Kainic acid induced epileptic rat model
Authors: Zhang Jian‐Jia , Guan Wei , Wang Yue , Wang Yu‐Xuan , An Dong‐Qi , Hao Zhi‐Chao , Li Meng‐Meng , Kuang Hai‐Xue , Chen Qing‐Shan , Zhang Li‐Li , Liu Yan , Yang Bing‐You
Published: August 2024

Epilepsy (EP) is one of the most common neurological diseases in the world. Anemarrhena asphodeloides Bunge. (AA), as a typical heat‐cleaning medicine, has been proven to possess the antiepileptic effect in clinical and experimental studies. Anemarrhena asphodeloides steroidal saponins (AAS) are main components. However, the therapeutic effects and underlying mechanisms of AAS against EP are not been fully elucidated. In this study, 63 steroidal saponins were discovered in AAS by UPLC‐Q‐TOF/MS analysis. Pharmacological and behavioral analysis demonstrated that AAS could significantly lower the Racine classification and reduce the frequency of generalized spike rhythm the rate of tetanic seizures in kainic acid–induced epileptic rats. Hematoxylin and eosin and Nissl staining‐indicated AAS could significantly improve hippocampal injury and neuron loss in epileptic rats. TMT proteomic analysis discovered 26 different expressed proteins (DEPs), which were identified as the rescue proteins. After bioinformatic analysis, Heat Shock Protein 90 Alpha Family Class B Member 1 (Hsp90ab1) and Tyrosine 3‐Monooxygenase (Ywhab) were screened as key DEPs and verified by western blotting. AAS could significantly inhibited the up‐regulation of Hsp90ab1 and Ywhab in EP rats; these two proteins might be the key targets of AAS in treating EP.
Bridging the digital divide: Consumer engagement with transportation payment apps in emerging economies
Authors: Farinloye Temitope , Omotoye Oluwatobi , Oginni Adeyemi , Moharrak Moayad , Mogaji Emmanuel
Published: August 2024

The digital divide remains a formidable challenge in emerging economies, highlighting disparities in technology access and utilisation. This study explores consumer engagement with mobile payment applications for transportation in Lagos, Nigeria, a critical context where these disparities manifest. The research presents consumer perceptions and behaviours using a triangulated approach encompassing ethnographic observation, semi‐structured interviews, and the ALARA model of information search. Anchored in the Engel–Kollat–Blackwell (EKB) theory of consumer behaviour, which depicts the five stages of consumer decision‐making—problem recognition, information search, evaluation of alternatives, purchase decision, and post‐purchase behaviour—this study identifies five key themes: awareness, information search, alternatives evaluation, engagement, and post‐engagement evaluation. Insights from the study reveal that cultural preferences and trust in traditional payment methods significantly influence users' willingness to adopt mobile payment apps. These insights underscore the importance of addressing socio‐cultural factors in technology adoption strategies. The findings highlight the need for an inclusive technological strategy to bridge the digital divide, emphasising the necessity of accessible information channels and user‐friendly interfaces to enhance consumer engagement. Continuous app refinement based on user feedback is crucial for optimising usability. Additionally, a nuanced understanding of socio‐cultural influences on technology adoption is essential for informing policy and business strategies. Overall, this study contributes to understanding technology adoption in emerging economies and provides actionable insights to foster inclusive digital transformations and mitigate the digital divide.
Mapping Endocytic Vesicular Acidification with a pH‐Responsive DNA Nanomachine
Authors: Xie Xiaodong , Liu Zhiyuan , Xiang Xuelin , Wang Shaopeng , Gao Zhaoshuai , Xu Lifeng , Ding Fei , Li Qian
Published: August 2024

Mapping the endocytic vesicular acidification process is of prior importance to better understand the health and pathological processes of cells. Herein, by integrating a pH‐sensitive i‐motif and a pair of fluorescence resonance energy transfer (FRET) into a tetrahedral DNA framework (TDF), we develop a pH‐responsive DNA nanomachine, allowing for efficient sensing of pH from 7.0 to 5.5 via the pH‐triggered spatial proximity modulation of FRET. The inheriting endo‐lysosome‐targeting ability of TDF enables spatiotemporal tracking of endocytic vesicle acidification during the endosomal maturation process. Analysis of pH‐dependent FRET response at single fluorescent spot level reveals the significant difference of endocytic vesicular acidification between normal and cancer cells. The performance of pH‐responsive DNA nanomachine underlines its potential for studies on vesicle acidification‐related pathologies as a universal platform.
Self‐Supported Sand Rose‐Like MoSe2/NiSe/NiFe‐LDH Bifunctional Electrocatalyst for Overall Water Electrolysis
Authors: Chen Yuxin , Wang Yiping , Zhao Xuhui , Zhang Fazhi , Lei Xiaodong
Published: August 2024

Hydrogen energy with a high fuel value is considered to be one of the most important renewable and clean energy sources in sustainable energy. Electrocatalytic water splitting is the best way to produce hydrogen sustainably on a large scale. In this work, the sand rose‐like MoSe2/NiSe/NiFe layered double hydroxide (NiFe‐LDH) catalyst is obtained by a two‐step hydrothermal method for hydrogen evolution (HER) and oxygen evolution reaction (OER). The three‐dimensional (3D) hierarchical structure is observed by SEM, TEM, XRD and XPS, and the results showed that there is strong electronic interaction among the components, which promotes electron transfer and improves catalytic activity. In the alkaline environment, the catalyst exhibits excellent HER and OER performance, the current density of 10 mA cm−2 requires only 130 mV and 136 mV overpotential, respectively. In the water splitting system composed of MoSe2/NiSe/NiFe‐LDH as both cathode and anode, only 1.51 V voltage reaches the current density of 10 mA cm−2, and workes continuously for more than 120 h at 100 mA cm−2 current density with excellent stability. The Faraday efficiency of hydrogen production is close to 100 %. This study provides a promising strategy for the preparation of efficient electrocatalyst for overall water splitting.
Computational Design of 3D Lantern Organic Framework
Authors: Nguyen Lam H. , Truong Thanh N.
Published: August 2024

This study employed a computational approach, particularly Density Functional Theory at B3LYP−D3/6‐31+G(d) level to design two new classes of three‐dimensional (3D) Lantern Organic Frameworks (LOFs) materials based on trisilasumanene and porphyrin core building units. Particularly, we detail strategies for transitioning from 1D‐LOF nanowires to extended 3D structures: first by connecting planar‐molecule base units of trisilasumanene or porphyrin using benzene‐based linkers, and then connecting silicon anchoring atoms on the bases with other bases that are vertically stacked by sp3‐hydrocarbon chains. The 3D‐LOF structures are designed to have different pore sizes through the use of various bases, bridges, and linkers. Comparisons of electronic properties of these 3D structures lead to one designing rule. That is, the gap between highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) of the 3D materials depends only on its base and is nearly independent of the stack size or the length of the sp3‐hydrocarbon bridges. Additionally, connecting base units with linkers also extends π‐electron conjugation system leading to a reduction in HOMO‐LUMO gap. For instance, linking two trisilasumanene molecules significantly narrows HOMO‐LUMO gap by 1.75 eV while stacking these bases vertically and connecting them by linear pentane‐based bridges yield insignificant change to the gap.
Recycling of Critical Metals from Light‐Emitting Diodes
Authors: Peer Michael , Fehn Thomas , Hofmann Alexander , Berninger Burkhard , Kunz Werner
Published: August 2024

Light‐emitting diodes (LED) are widely used for energy savings. A lot of different materials and especially metals are needed to produce LED. End‐of‐life LED contain critical metals like indium or rare earth elements. In this study, first a thermochemical step is used to recover the critical metal indium from LED with hydrochloric acid‐containing vapor from polyvinyl chloride as chlorine source. Then, the LED residue is leached with sulfuric acid and hydrogen peroxide. From the leachate, the heavy rare earth element lutetium can be extracted with n‐octanol and tributyl phosphate.
Molecular simulations and deep neural networks‐based interpretable machine learning modelling of reverse adsorptive MOFs for ethane/ethylene separation
Authors: Yadava Khushboo , Srivastava Shrey , Yadav Ashutosh
Published: August 2024

The thermal decomposition of ethane (C2H6) and the steam cracking of fossil fuels are the main sources of ethylene (C2H4). However, it usually contains 5%–9% of C2H6 residue, which must be reduced to ensure its utilization during polymerization. C2H6 and C2H4 have comparable kinetic diameters and boiling points (C2H6: 4.44, 184.55 K; C2H4: 4.16, 169.42 K), which makes the separation process very difficult. This contribution employs a methodology that integrates machine learning (ML) with Monte Carlo simulations to evaluate the ddmof database to develop a predictive model for separating ethane (C2H6) and ethylene (C2H4). The ML model's input is the metal–organic frameworks (MOFs) chemical and structural descriptors. The grand canonical Monte Carlo (GCMC) simulations in RASPA software were carried out to calculate the equilibrium adsorption of ethane and ethylene. Different ML models such as random forest, decision tree, and deep neural network models have been tested to estimate the selectivity and ethane uptake from the MOF data being generated. Interpretable ML model using SHapley Additive exPlanations (SHAP) is developed for the better understanding of the impact of the parameters on selectivity and ethane uptake. A user‐friendly graphical user interface (GUI) is presented, allowing users to predict the ethane uptake and selectivity of MOFs simply by entering the values of chemical and structural descriptors.
Hybrid energy‐Efficient distributed aided frog leaping dynamic A* with reinforcement learning for enhanced trajectory planning in UAV swarms large‐scale networks
Authors: Christal Jebi R. , Baulkani S. , Femila L.
Published: August 2024

UAVs are emerging as a critical asset in the field of data collection from extensive wireless sensor networks (WSNs) on a large scale. UAVs can be used to deploy energy‐efficient nodes or recharge nodes, but it should not compromise the network's coverage and connectivity. This paper proposes a comprehensive approach to optimize UAV trajectories within large‐scale WSNs, utilizing Multi‐Objective Reinforcement Learning (MORL) to balance critical objectives such as coverage, connectivity, and energy efficiency. This research investigates the configuration of a Wireless Sensor Network (WSN) assisted by a pen_spark UAV. In this network, Cluster Heads (CHs) act as central points for collecting data from their assigned sensor nodes. A predefined path is established for the UAV to efficiently gather data from these CHs. The Hybrid Threshold‐sensitive Energy Efficient Network (Hy‐TEEN) encompasses sophisticated algorithms for CH selection, dynamic A* for 3D trajectory planning and leverages reinforcement learning for multi‐objective optimization. The experimental results and analysis demonstrate the effectiveness and efficiency of the proposed approach in improving UAV performance and energy efficiency. The results demonstrate that the proposed methodology's trajectories are capable of achieving a time savings of 3.52% in mission completion when contrasted with conventional baseline methods.
Image encryption algorithm based on a novel 2D logistic‐sine‐coupling chaos map and bit‐level dynamic scrambling
Authors: Fang Jie , Zhao Kaihui , Liang Shixiao , Wang Jiabin
Published: August 2024

This paper develops a new image encryption algorithm based on a novel two‐dimensional chaotic map and bit‐level dynamic scrambling. First, multiple one‐dimensional chaotic maps are coupled to construct a novel two dimensions Logistic‐Sine‐coupling chaos map (2D‐LSCCM). The performance analysis shows that the 2D‐LSCCM has more complex chaotic characteristics and wider chaotic range than many extant 2D chaos maps. Second, original image matrix combines with hash algorithm SHA‐256 to generate a hash value. The initial values of 2D‐LSCCM are generated based on the hash value. Third, the original image matrix is divided into multiple sub‐matrices by wavelet transform, followed by scrambling by an improved Knuth shuffle algorithm. Fourth, the scrambled multiple sub‐matrices are stitched into an image matrix of and converted into a binary matrix. The chaotic sequence generated by 2D‐LSCCM is introduced as a control sequence to control the bit‐level scrambling of pixel points, which realizes the bit‐level dynamic scrambling. Finally, the diffusion operation is performed by parameter par and chaotic sequence to obtain the final encrypted image. The algorithm security analysis and simulation examples demonstrate the effectiveness of the proposed encryption scheme.
A Randomized Controlled Trial Comparing Mentalization‐Based Therapy With the Unified Protocol in the Treatment of Psychopathy and Comorbid Borderline + Antisocial Personality Disorders
Authors: Mohajerin Banafsheh , Shamsi Alireza , Howard Richard
Published: August 2024

Background

Those with cooccurring antisocial personality disorder (ASPD) and borderline personality disorder (BPD) are reported to be highly psychopathic and to represent a severe challenge to treatment efforts. In a sample of such individuals, the effects of two treatments, mentalization‐based therapy (MBT) and the unified protocol (UP), were investigated on three outcomes: (i) the psychopathy trait domains of meanness, boldness and disinhibition proposed by the triarchic psychopathy model (TPM); (ii) antisocial and borderline symptom severity; and (iii) the severity of their common features including impulsivity, anger expression and self‐harm.

Methods

Of 163 individuals with BPD + ASPD screened for eligibility, 55 were randomized to MBT treatment and 53 to UP treatment. Outcomes of treatment were assessed at 6‐month intervals to 36 months.

Results

Short‐term reductions were seen following both treatments in traits of psychopathy, antisocial and borderline personality symptom severity, anger dysregulation, impulsivity and self‐harm, but both treatment groups showed almost complete relapse of symptoms at the 36‐month follow‐up. UP had more durable effects than MBT.

Conclusions

Despite being a considerably shorter treatment, UP was at least as effective as MBT and in some respects superior. Remission of symptoms was not achieved by either treatment in the long term. Psychopathy and borderline/antisocial comorbidity with which it is associated are to some extent remediable through psychotherapy, but only in the short term.

Clinical Implications

Patients with high levels of impulsivity and disinhibition are likely to relapse following psychotherapy and should be closely monitored after treatment.
Does corporate social responsibility and environmental governance drive green innovation?
Authors: Khurshid Adnan , Hongbin Ying , Cifuentes‐Faura Javier , Saleem Sardar Fawad
Published: August 2024

In a phase of environmental awareness, corporate social responsibility (CSR) and environmental governance's (EG) involvement in green innovation (GI) is a subject of growing significance. Therefore, the objective of this study is to assess the extent of environmental degradation that can be ascribed to the corporations listed on the Karachi Stock Exchange. This study examines the detailed connection between CSR, EG, and GI within the context of ecologically sustainable development led by innovation. The data encompassing the years 2011 to 2020 are employed for this analysis. The findings indicate that the adoption of CSR initiatives by heavily polluting businesses significantly boosts their capacity for innovation. The positive effect is further enhanced by robust EG, particularly in the short term. The findings further suggest that CSR has a moderate influence on innovation within privately owned companies and those that primarily focus on addressing less severe environmental concerns. In contrast, CSR exhibits a more pronounced influence in state‐owned enterprises that face more substantial environmental challenges. The findings offer significant perspectives for businesses, policymakers, and scholars, thereby promoting sustainability and enabling eco‐friendly innovation in contaminated environments.
Selective Hydrogenolysis Conversion of Polyethylene into Alkyl Oil Over Iridium‐based Catalyst
Authors: Cao Jieqi , Feng Xiao , Wang Yinwei , Gong Xinbin , Zheng Xiaoxia , Gao Jin , Shi Song
Published: August 2024

Plastic not only brings convenience but also places a great burden on the environment. Utilizing plastic as a low‐cost feed‐stock for producing valuable chemicals and fuels is one of the most attractive directions. Among the huge types of plastics, polyolefins (PO), especially polyethylene (PE), were the most abundant type and the most difficult to upgrade. Hydrocracking and hydrogenolysis operate at relatively low reaction temperatures which show promising applications. Herein, Iridium‐based catalysts were developed and proved to be effective in PE hydrogenolysis under relatively mild conditions. Catalysts were characterized by TEM, HRTEM, SEM, HAADF‐STEM, XPS, CO chemisorption and H2 chemisorption etc. The Ir catalysts showed similar reactivity but better selectivity for liquid products than Ru under similar conditions. A highest 92.7 % percent of liquid products could be obtained under 250 °C, 3 MPa of H2 in 8 hours with Ir/γ‐Al2O3 catalyst. The support could also affect the performance, including Lewis acid amount, surface areas, and morphology. And we suppose Iridium catalysts could serve as another choice for plastic hydrogenolysis under mild conditions.
Chelated Metal‐Organic Frameworks for Improved the Performance of High‐Nickel Cathodes in Lithium‐Ion Batteries
Authors: Ahn Heeju , Park Yeonju , Nam Kwan Woo
Published: August 2024

Lithium‐ion batteries have gained widespread use in various applications, including portable devices, electric vehicles, and energy storage systems. High Ni cathode, LiNixCoyMnzO2 (NCM, x≥0.8, x+y+z=1), have garnered significant attention owing to their high energy density. However, the limited Li‐ion transfer rate and transition metal cross‐talk to anode pose obstacles to further improvement of electrochemical performance. To tackle these challenges, metal‐organic frameworks (MOFs) with chelating agents are employed as additive materials for electrode. MOFs with chelating agents offer three key attributes: (1) Effective mitigation of transition metal cross‐talk to the anode, (2) Partial desolvation of Li+ ions through MOF pores, and (3) Immobilization of anions via metal sites in the MOF. Leveraging these advantages, the chelating MOF‐modified NCM cathode demonstrates reduced charge transfer resistance, both in their pristine and cycled states. In addition, they exhibit significantly improved the Li‐ion diffusion coefficients after 100 cycles. These findings underscore the potential of MOFs with chelating agents as promising additive materials for enhancing the performance of LIBs.
Eco‐Friendly Electrosynthesis of Cu‐PANI‐Pencil Composite: Enhanced Their Current Value, Acid Sensing, Click Chemistry and Turn On‐Off Sunlight Photo‐Catalytical H2O2 Activation
Authors: Sevillano‐Arredondo Rosa M. , Pacheco‐Alvarez Martin O. A. , Luis Pichardo Juan , Ramírez‐García Gonzalo , Serrano Oracio
Published: August 2024

In this contribution, we report a straightforwardly and easily one‐step synthesis of a small family of composites based in polyaniline grafted on HB2 graphite (PANI@UG) and their copper‐doped derivatives (Cu50PANI@UG5–6). The PANI@UG composites were synthesized through electrochemical polymerization using cyclic voltammetry (CV) in three different acidic media: i) acetic acid (AcOH) at high and low concentration (12 and 1 M, using KCl as electrolytic support); ii) a mixture of AcOH and sulfuric acid (H2SO4, which have two roles: as electrolytic support and proton source) and iii) a mixture of acetonitrile (NCCH3) and H2SO4, under atmospheric conditions. Once the best conditions were achieved, our next step was focused on obtaining the Cu50PANI@UG5–6 composites using a solution of aniline and CuSO4 (50 mM) in AcOH:H2SO4 and NCCH3:H2SO4 solutions, respectively. All composites were characterized by CV, FT‐IR, SEM and MALDI‐TOF experiments. So, the current value was enhanced for the Cu50PANI@UG6 composite, which have three potential catalytical applications in: i) HClO4 acid sensing, ii) click chemistry and iii) sunlight drive photo‐activation of H2O2.
Failure Mechanism Analysis and Emerging Strategies for Enhancing the Photoelectrochemical Stability of Photoanodes
Authors: Zhang Yingjuan , Liu Boyan , Xu Liangcheng , Ding Zeran , Yang Rui , Wang Songcan
Published: August 2024

The development of efficient and stable photoanode materials is essential for driving the possible practical application of photoelectrochemical water splitting. This article begins with a basic understanding of the fundamentals of photoelectrochemical devices and photoanodes. State‐of‐the‐art strategies for designing photoanodes with long‐term stability are highlighted, including insertion of hole transport layers, construction of protective/passivation layers, loading of co‐catalysts, construction of heterojunctions, and modification of the electrolyte. Based on the insights gained from these effective strategies, we present an outlook for addressing key aspects of the challenges of stabilizing photoanodes development in the future work. Widespread adoption of stability assessment criteria will facilitate reliable comparisons of results from different laboratories. In addition, deactivation of photoanode is defined as a 50 % reduction in productivity. An in‐depth understanding of the deactivation mechanism is essential for the design and development of efficient and stable photoanodes. This work will provide insights into the stability assessment of photoanode and facilitate the production of practical solar fuels.
Physical Discharge of Spent Lithium‐Ion Batteries Induced Copper Dissolution and Deposition
Authors: Wang Yadong , Du Hao , Zhao Yun , Kang Yuqiong , Zhang Junhao , Xu Jiahui , Huang Yonglin , Jia Tianding , Chen Zhaoyang , Tavajohi Naser , Kang Feiyu , Li Baohua
Published: August 2024

Complete discharge of spent lithium‐ion batteries (LIBs) is a crucial step in LIB recycling, with the physical discharge method being particularly noted for its high discharge efficiency and environmental friendliness. However, previous studies and standards have focused on the performances of the discharge methods, neglecting the battery materials changes caused by discharge. Here we demonstrate that although prolonged discharge of spent batteries keeps the voltage around 0 V, an obvious current flow can be still observed, resulting from the dissolution and subsequent deposition of the copper foil. The deposited copper, primarily in the forms of Cu, Cu2O, and CuO, shows a gradient distribution on the surface of the anode and cathode active materials. This copper deposition significantly compromises the electrochemical performance of the discharged battery, with evident deterioration observed in the first charge‐discharge capacity, cycling performance, and coulombic efficiency when compared to the original battery. This study provides guidance for the discharge methods and offers new insights into the materials failure mechanisms during discharge of spent batteries.
Maternal behaviors influence survival of ungulate neonates under heavy predation risk
Authors: Muthersbaugh Michael S. , Boone Wesley W. , Saldo Elizabeth A. , Jensen Alex J. , Cantrell Jay , Ruth Charles , Kilgo John C. , Jachowski David S.
Published: August 2024

Predators impose top‐down forces on prey populations, with the strength of those effects often varying over space and time and among demographic groups. In ungulates, predation risk is typically greatest for neonatal offspring, with some suggesting that predators can key in on adult activity to locate hidden neonates. However, few field studies to date have been able to directly assess the influence of maternal care on ungulate neonate survival. Using a population of white‐tailed deer under heavy coyote predation pressure, we tested the maternal dispersion hypothesis, which suggests the dispersion of maternal activity temporally and spatially attenuates risk of predation for ungulate neonates during this vulnerable altricial phase. We compared support for this hypothesis with more commonly tested hypotheses regarding the influence of habitat conditions and intrinsic factors on neonatal survival. Fawn survival to 16 weeks was 27.7%, with coyotes accounting for 59% of fawn mortalities. In support of our maternal temporal diffusion hypothesis, we found that neonatal survival decreased as more maternal visits (proportionally) occurred at night. The only other significant (p < .1) predictor of fawn survival was birth timing, with fawn survival decreasing as the season progressed. Given that fawn survival declined as the proportion of nighttime visits increased, and that wild pig presence and human disturbance can push doe and fawn activity toward nocturnal hours, additional research is needed to determine whether managing pig and human disturbance can decrease fawn mortality. More broadly, given the importance of recruitment in ungulate population dynamics, our finding opens a potentially important new line of inquiry on how maternal behaviors influence predation risk in large animal predator–prey ecology.
Extracellular vesicles from olive wastewater and pomace by‐products: Isolation, characterization of their lipid and phenolic profiles, and evaluation of their radical scavenging activity
Authors: Barouh Nathalie , Fenaghra Amal , Colosetti Pascal , Lecomte Jérôme , Baréa Bruno , Him Josephine Lai Kee , Mey Anne , Michalski Marie‐Caroline , Villeneuve Pierre , Bourlieu‐Lacanal Claire
Published: August 2024

Extracellular vesicles (EVs) are nanoscopic structures that are involved in intercellular communication. Recent works have highlighted the existence of these assemblies in several plants and shown that they are able to vectorize hydrophilic and lipophilic molecules. In this study, we have isolated EVs from the two main olive oil by‐products (wastewaters [WWs] and pomace) by differential centrifugation/ultracentrifugation and have characterized their main physicochemical properties (size, charge, multimolecular structure, lipid and phenolic contents) and radical scavenging activity. Lipid content in EV fractions was 3.4 (0.2) % (% dry material) for WWEVs and 7.7 (0.3) % and 5.9 (0.9) % for EVs, respectively, from plurivarietal or monovarietal pomaces. Polar lipids represented around 49% of total lipids, and their profiles were globally similar in all EVs. Phosphatidylcholine and phosphatidic acid were the more abundant molecules. Their phenolic contents ranged from 2.1 to 4.6 mg hydroxytyrosol (HT) eq g−1 of raw material, with HT, oleuropein, and verbascoside being among the most abundant. Transmission electron cryomicroscopy showed the presence of spherical vesicles delimited by a single bilayer of amphiphilic lipids. Finally, the 1,1‐diphenyl‐2‐picrylhydrazyl radical scavenging activity of EVs was high and depended on their original by‐product type.

Practical Application: Recent works have highlighted the existence of extracellular vesicles in several plants and shown that they are able to vectorize hydrophilic and lipophilic molecules. Herein, we have isolated and provided a chemical characterization of such vesicles from olive wastewater and pomace. Results showed that these vesicles are rich in the phenolic compounds that are generally found in olives and that the potential radical scavenging activity of extracellular vesicles from olive could be valorized as new antioxidants for the food or cosmetic sectors.
Gold‐Catalyzed Heck and Suzuki‐Type Reactions: Challenges and Recent Advances
Authors: Wu Jiawen , Du Wenqian , Zhang Lizhu , Li Gang , Xia Zhonghua
Published: August 2024

Transition metal‐catalyzed Suzuki and Heck reactions are two of the most common carbon‐carbon bond formation reactions. Gold, unlike other transition metals (Pd, Ni, and Cu), offers unique reactivity profiles, and has emerged as an efficient tool in the field of synthetic organic chemistry. This mini‐review focused on the recent work in gold‐catalyzed Heck and Suzuki‐type reactions, especially by photocatalysts or ligand design, which show reactivities and features distinct from other transition metals. These discoveries will further facilitate the development of gold redox catalysis as well as applications in organic synthesis, biochemistry, and medicinal chemistry.
Thermal Performance and Structural Optimization of Electric Heating Module Based on KAl(SO4)2·12H2O/Expanded Graphite Composite Phase‐Change Material
Authors: Niu Dongyin , Zhang Tiantian , Zhang Xuedan , Tan Yufei , Zhai Lukai
Published: August 2024

Under the background of vigorously promoting clean heating, the introduction of phase‐change energy storage technology into heating systems has become a new hot issue. In this study, a novel KAl(SO4)2·12H2O/expanded graphite (EG) shape‐stabilized composite phase‐change material (PCM), with a melting temperature of 91.6 °C, latent heat of 245.7 kJ kg−1, and high heat conductivity of 2.07 W m−1 K−1, is prepared to manufacture a PCM‐based module for space heating. This phase‐change electric heating module is developed, and its heat storage and release characteristics are investigated through experimental and numerical studies. The numerical model is validated by experimental results. In view of the numerical simulation, the structure of the module is optimized and its thermal performance is studied. Based on the optimized module, a peak‐valley time‐of‐use (TOU) electric heating module is finally proposed. It is revealed that the module exhibits good thermal performance and is capable of satisfying the indoor heating demand. The effective heat storage and release duration is 8.12 and 15.34 h, which can perfectly realize the operating mode under the “peak‐valley TOU electricity” mechanism. In this study, it is demonstrated that peak–valley electric energy storage heating devices have broad prospects in building space heating and provides reference for future application.