bluuebunny/crossref_metadata_2025_split huggingface dataset:
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

AbstractNeratinib (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

AbstractEpilepsy (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

AbstractThe 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

AbstractMapping 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

AbstractHydrogen 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

AbstractThis 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

AbstractLight‐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

AbstractThe 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

SummaryUAVs 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

SummaryThis 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

ABSTRACTBackgroundThose 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.MethodsOf 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.ResultsShort‐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.ConclusionsDespite 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 ImplicationsPatients 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

AbstractIn 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

AbstractPlastic 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

AbstractLithium‐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

AbstractIn 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

AbstractThe 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.