bluuebunny/crossref_metadata_2025_split huggingface dataset:
The artificial neural network approach for the transmission of malicious codes in wireless sensor networks with Caputo derivative
Authors: Khan Zia Ullah , ur Rahman Mati , Arfan Muhammad , Waseem  , Boulaaras Salah 
Published: June 2024

AbstractThe current manuscript investigates a six compartmental mathematical model for malicious Codes in Wireless Sensor Network is consider for investigation under the fractional operator of Caputo along with their numerical scheme. The six agent nodes of the network sensors are transferable like in infection with in their community of different nodes. With the help of fixed point theory the presentation of existence and uniqueness of solution of the said model are also given. The scheme of numerical solution under fractional format is developed with the choice of fractional orders which increasing the degree of freedom for such type of network analysis. The numerical simulation of all the six agents are given on different fractional orders along with sensitivity of the fractional orders and some used parameters. The new analysis artificial neural network (ANN) method has been utilized for the considered model and compared with Adams–Bashforth (AB) method. We divided the data set into three categories training, testing and validation with ANN method and the analysis is presented in this work.
2‐Cyanopropan‐2‐yl versus 1‐Cyanocyclohex‐1‐yl Leaving Group: Comparing Reactivities of Symmetrical Trithiocarbonates in RAFT Polymerization
Authors: Ivanchenko Oleksandr , Odnoroh Maksym , Rolle Faustine , Kroeger Asja A. , Mallet‐Ladeira Sonia , Mazières Stéphane , Guerre Marc , Coote Michelle L. , Destarac Mathias 
Published: June 2024

AbstractThis study introduces bis(1‐cyanocyclohex‐1‐yl)trithiocarbonate (TTC‐bCCH) as a novel trithiocarbonate chain transfer agent and compares its reactivity with the previously described bis(2‐cyanopropan‐2‐yl)trithiocarbonate (TTC‐bCP) for the reversible addition‐fragmentation chain transfer (RAFT) polymerization of styrene (St), n‐butyl acrylate (nBA), and methyl methacrylate (MMA). Significant findings include the effective control of Mn and low dispersities from the onset of polymerization of St and nBA showing swift addition‐fragmentation kinetics, leading to similar behaviors between the two RAFT agents. In contrast, a fourfold decrease of the chain transfer constant to MMA is established for TTC‐bCCH over TTC‐bCP. This trend is confirmed through density functional theory (DFT) calculations. Finally, the study compares thermoplastic elastomer properties of all‐(meth)acrylic ABA block copolymers produced with both RAFT agents. The impact of dispersity of PMMA blocks on thermomechanical properties evaluated via rheological analysis reveals a more pronounced temperature dependence of the storage modulus (G′) for the triblock copolymer synthesized with TTC‐bCCH, indicating potential alteration of the phase separation.
Investigating Temperature‐Dependent Microscopic Deformation in Tough and Self‐Healing Hydrogel Using Time‐Resolved USAXS
Authors: Chu Zhaoyang , He Kaining , Huang Siqi , Zhang Wenhua , Li Xueyu , Cui Kunpeng 
Published: June 2024

AbstractTough and self‐healing hydrogels are typically sensitive to loading rates or temperatures due to the dynamic nature of noncovalent bonds. Understanding the structure evolution under varying loading conditions can provide valuable insights for developing new tough soft materials. In this study, polyampholyte (PA) hydrogel with a hierarchical structure is used as a model system. The evolution of the microscopic structure during loading is investigated under varied loading temperatures. By combining ultra‐small angle X‐ray scattering (USAXS) and Mooney–Rivlin analysis, it is elucidated that the deformation of bicontinuous hard/soft phase networks is closely correlated with the relaxation dynamics or strength of noncovalent bonds. At high loading temperatures, the gel is soft and ductile, and large affine deformation of the phase‐separated networks is observed, correlated with the fast relaxation dynamics of noncovalent bonds. At low loading temperatures, the gel is stiff, and nonaffine deformation occurs from the onset of loading due to the substantial breaking of noncovalent bonds and limited chain mobility as well as weak adaptation of phase deformation to external stretch. This work provides an in‐depth understanding of the relationship between structure and performance of tough and self‐healing hydrogels.
An efficient hybrid deep learning architecture for predicting short antimicrobial peptides
Authors: Nguyen Quang H. , Nguyen‐Vo Thanh‐Hoang , Do Trang T. T. , Nguyen Binh P. 
Published: June 2024

AbstractShort‐length antimicrobial peptides (AMPs) have been demonstrated to have intensified antimicrobial activities against a wide spectrum of microbes. Therefore, exploration of novel and promising short AMPs is highly essential in developing various types of antimicrobial drugs or treatments. In addition to experimental approaches, computational methods have been developed to improve screening efficiency. Although existing computational methods have achieved satisfactory performance, there is still much room for model improvement. In this study, we proposed iAMP‐DL, an efficient hybrid deep learning architecture, for predicting short AMPs. The model was constructed using two well‐known deep learning architectures: the long short‐term memory architecture and convolutional neural networks. To fairly assess the performance of the model, we compared our model with existing state‐of‐the‐art methods using the same independent test set. Our comparative analysis shows that iAMP‐DL outperformed other methods. Furthermore, to assess the robustness and stability of our model, the experiments were repeated 10 times to observe the variation in prediction efficiency. The results demonstrate that iAMP‐DL is an effective, robust, and stable framework for detecting promising short AMPs. Another comparative study of different negative data sampling methods also confirms the effectiveness of our method and demonstrates that it can also be used to develop a robust model for predicting AMPs in general. The proposed framework was also deployed as an online web server with a user‐friendly interface to support the research community in identifying short AMPs.
Expression of a viral ecdysteroid UDP‐glucosyltransferase enhanced the insecticidal activity of the insect pathogenic fungus Beauveria bassiana
Authors: Zhu Shengan , Feng Xueyao , Liu Yu , Jin Dan , Luo Xingyou , Fan Yanhua 
Published: June 2024

AbstractBACKGROUNDEntomopathogenic fungi, such as Beauveria bassiana, hold promise as biological control agents against insect pests. However, the efficacy of these fungi can be hindered by insect immune responses. One strategy to enhance fungal virulence is to manipulate host immune by targeting key regulatory molecules like 20‐hydroxyecdysone (20E).RESULTSIn this study, we engineered B. bassiana strains to constitutively express the enzyme ecdysteroid UDP‐glucosyltransferase (EGT), which inactivates 20E, a crucial insect molting hormone. The engineered strain Bb::EGT‐1 exhibited robust expression of EGT, leading to a significant reduction in insect 20E levels upon infection. Moreover, infection with Bb::EGT‐1 resulted in accelerated larval mortality. Immune responses analysis revealed repression of insect immune response genes and decreased phenoloxidase (PO) activity in larvae infected with Bb::EGT‐1. Microbiome analysis indicated alterations in bacterial composition within infected insects, with increased abundance observed during infection with Bb::EGT‐1. Additionally, the presence of bacteria hindered hyphal emergence from insect cadavers, suggesting a role for microbial competition in fungal dissemination.CONCLUSIONSConstitutive expression of EGT in B. bassiana enhances fungal virulence by reducing insect 20E levels, suppressing immune responses, and altering the insect microbiome. These findings highlighted the potential of engineered fungi as effective biocontrol agents against insect pests and provide insights into the complex interactions between entomopathogenic fungi, their hosts, and associated microbes. © 2024 Society of Chemical Industry.
The G143S mutation in cytochrome b confers high resistance to pyraclostrobin in Fusarium pseudograminearum
Authors: Zhang Ziyang , Li Yige , Xu Jinke , Zou Huaihao , Guo Yu , Mao Yushuai , Zhang Jie , Cai Yiqiang , Wang Jianxin , Zhu Chunhua , Wang Xiaoqing , Zhou Mingguo , Duan Yabing 
Published: June 2024

AbstractBACKGROUNDWheat crown rot (WCR), primarily caused by Fusarium pseudograminearum has become more and more prevalent in winter wheat areas in China. However, limited fungicides have been registered for the control of WCR in China so far. Pyraclostrobin is a representative quinone outside inhibitor (QoI) with excellent activity against Fusarium spp. There is currently limited research on the resistance risk and resistance mechanism of F. pseudograminearum to pyraclostrobin.RESULTSHere, we determined the activity of pyraclostrobin against F. pseudograminearum. The EC50 values ranged from 0.022 to 0.172 μg mL−1 with an average EC50 value of 0.071 ± 0.030 μg mL−1. Four highly pyraclostrobin‐resistant mutants were obtained from two sensitive strains by ultraviolet (UV) mutagenesis in the laboratory. The mutants showed decreased mycelial growth rate and virulence as compared with the corresponding wild‐type strains, indicating that pyraclostrobin resistance suffered a fitness penalty in F. pseudograminearum. It was found that the high resistance of four mutants was caused by the G143S mutation in Cytb. Molecular docking analysis also further confirms that the G143S mutation in Cytb decreased the binding affinity between pyraclostrobin and Cytb.CONCLUSIONThe resistance risk of F. pseudograminearum to pyraclostrobin could be low to medium. Although a mutation at the G143S position of Cytb could potentially occur, this mutation decreases the fitness of the mutant, which may reduce its survival in the environment. Therefore, the negative consequences of a possible mutation are lower. This makes pyraclostrobin a good candidate for controlling crown rot in wheat. © 2024 Society of Chemical Industry.
Carnosol prevents cardiac remodeling and ventricular arrhythmias in pressure overload‐induced heart failure mice
Authors: Fang Zhao , Lu Ming , Huang Rui , Wang Guangji , Yushanjiang Feierkaiti , Jiang Xuejun , Li Jun 
Published: June 2024

AbstractCardiac remodeling is a commonly observed pathophysiological phenomenon associated with the progression of heart failure in various cardiovascular disorders. Carnosol, a phenolic compound extracted from rosemary, possesses noteworthy pharmacological properties including anti‐inflammatory, antioxidant, and anti‐apoptotic activities. Considering the pivotal involvement of inflammation, oxidative stress, and apoptosis in cardiac remodeling, the present study aims to assess the effects of carnosol on cardiac remodeling and elucidate the underlying mechanisms. In an in vivo model, cardiac remodeling was induced by performing transverse aortic constriction (TAC) surgery on mice, while an in vitro model was established by treating neonatal rat cardiomyocytes (NRCMs) with Ang II. Our results revealed that carnosol treatment effectively ameliorated TAC‐induced myocardial hypertrophy and fibrosis, thereby attenuating cardiac dysfunction in mice. Moreover, carnosol improved cardiac electrical remodeling and restored connexin 43 expression, thereby reducing the vulnerability to ventricular fibrillation (VF). Furthermore, carnosol significantly reduced Ang II‐induced cardiomyocyte hypertrophy in NRCMs and alleviated the upregulation of hypertrophy and fibrosis markers. Both in vivo and in vitro models of cardiac remodeling exhibited the anti‐inflammatory, anti‐oxidative, and anti‐apoptotic effects of carnosol. Mechanistically, these effects were mediated through the Sirt1/PI3K/AKT pathway, as the protective effects of carnosol were abrogated upon inhibition of Sirt1 or activation of the PI3K/AKT pathway. In summary, our study suggests that carnosol prevents cardiac structural and electrical remodeling by regulating the anti‐inflammatory, anti‐oxidative, and anti‐apoptotic effects mediated by Sirt1/PI3K/AKT signaling pathways, thereby alleviating heart failure and VF.
Genistein: A promising phytoconstituent with reference to its bioactivities
Authors: Shete Vaishnavi , Mahajan Nilesh M. , Shivhare Ruchi , Akkewar Ashish , Gupta Amisha , Gurav Shailendra 
Published: June 2024

AbstractGenistein, a potent phytoconstituent, has garnered significant attention for its diverse bioactivities, making it a subject of extensive research and exploration. This review delves into the multifaceted properties of genistein, encompassing its antioxidant and anticancer potential. Its ability to modulate various cellular pathways and interact with diverse molecular targets has positioned it as a promising candidate in the prevention and treatment of various diseases. This review provides a comprehensive examination of Genistein, covering its chemical properties, methods of isolation, synthesis, therapeutic attributes with regard to cancer management, and the proposed mechanisms of action as put forth by researchers.
Analyzing Quantum Error Resilience for Quantum Communication in Guided and Unguided Media
Authors: Sihare Shyam R. 
Published: June 2024

AbstractThis research examines quantum key distribution and its applications in guided and unguided quantum communication. The importance of secure communication in the quantum era requires a thorough exploration of both guided and unguided quantum communication strategies. The research aims to address the challenges posed by guided channels, such as fiber optics, and unguided channels, such as free‐space quantum communication. This study addresses existing knowledge gaps in quantum error resilience management and signal processing techniques in unguided quantum communication. Advanced quantum gate analysis, environmental noise analysis, and quantum channel modeling techniques are employed. The research presents key findings on the impact of gate imperfections on quantum error resilience in guided media, the influence of noise‐induced errors in unguided media, and a unified metric for assessing various error sources in guided channels. Additionally, the study analyses stabilizer codes and surface codes for error mitigation through quantum error correction strategies. Simulation results provide a benchmark for theoretical predictions and guide the refinement of quantum communication protocols. In this context, machine learning‐based error prediction is introduced as a cutting‐edge approach to enhance the robustness of quantum communication systems.
Integrated multicomponent analysis based on ultra‐high‐performance liquid chromatography coupled with quadrupole‐Exactive Orbitrap mass spectrometry and network pharmacology to elucidate the effective constituents and potential mechanism of Zhibai Dihuang pill in treating childhood precocious puberty
Authors: Zhang Jianguang , Yang Qing , Wulu Jiansang , Zhang Zhifeng 
Published: June 2024

RationaleChildhood precocious puberty (CPP) is a common pediatric endocrine disorder with significant associated risks. Zhibai Dihuang pill (ZBDHP), a classic recipe of the Qing dynasty with its efficacy of nourishing yin and clearing heat, can downregulate the expression of ESR1 in the uterus and ovaries, thereby inhibiting CPP. However, as of now, the main active ingredients and pharmacological mechanisms of ZBDHP remain unclear.MethodsA comprehensive approach was proposed using ultra‐high‐performance liquid chromatography coupled with quadrupole‐Exactive Orbitrap mass spectrometry (UHPLC‐Q‐Exactive Orbitrap‐MS) and network pharmacology to explore the potentially active constituents of ZBDHP and reveal the underlying mechanisms against CPP. Molecular docking was used to verify the possible mechanisms.ResultsA total of 214 constituents derived were identified via UHPLC‐Q‐Exactive Orbitrap‐MS, and 12 of them were definitely characterized using reference standards. Subsequently, compounds tetrahydropalmatine, alisol C, 25‐anhydroalisol A 11‐acetate, hispidone, cavidine, alisol E, melianone, neogitogenin, denudatin B, and 16β‐hydroperoxyalisol B with related targets PIK3CA, HSD11B1, CYP19A1, AR, PTGS2, CDK2, NR3C1, MMP2, MMP1, and MAPK1 were regarded as key components and targets for ZBDHP treating CPP using the compound–target–pathway network. Besides, the results revealed that the pathways conduced obviously to therapeutic efficacy, including pathways in cancer, neuroactive ligand–receptor interaction, and cyclic adenosine monophosphate（cAMP） signaling pathways. Molecular docking indicated that PIK3CA, HSD11B1, and CYP19A1 exhibited high affinities to corresponding compounds. Overall, the study determined the multicomponent, multitarget, and multipathway mechanisms of ZBDHP against CPP.ConclusionsThis study provided a new method for exploring the chemical constituents and pharmacology mechanism of traditional Chinese medicine.
Tunable colors from responsive 2D materials
Authors: Wang Feng , Lyu Rong , Xu Hongwei , Gong Rui , Ding Baofu 
Published: June 2024

AbstractOne of the long‐sought‐after goals in responsive material development is to generate and tune colors for advanced and emerging applications such as dynamic displays, light‐emitting diodes, lasers, smart windows, chromic fabrics, high‐security encryption, and visual sensors. Benefiting from the atomically thin nature as well as strong optical interaction, two‐dimensional (2D) materials can serve as color‐generating centers for both chemical pigment colors and physical interference colors in solution, gels, films, and matrix interface systems, to offer new promises for color science and applications. Concerning color tunability, 2D material systems have been demonstrated as one of the ideal responsive materials to achieve the desired goals, including the change of composition, layer thickness, strain, magic angle, and thermally/photically/chemically responsive, magnetically‐responsive, electrically‐responsive, mechanically‐responsive. This makes it an attractive prospect for device applications such as optoelectronics, displays, and nanomedicine. However, to the best of our knowledge, no comprehensive review has been reported specifically on color‐centered aspects of 2D materials. In this review, we highlight experimental approaches and related applications for tuning pigment colors, reflective structural colors, and transmissive interference colors, and we refine the challenges and propose opportunities in future studies for the further development of color science in the 2D material system. Eventually, it is anticipated that this review will serve as a resource and source of inspiration for scientists, as well as open up new avenues for the advancement of color science and related fields in responsive 2D material systems.
Study on Real‐Time Temperature of a 35 kW Vanadium Stack and Its Influences on the Performance of a Vanadium Redox Flow Battery
Authors: Luo Lijuan , Yu Longhai , Zeng Kun , Huang Tao 
Published: June 2024

AbstractThe temperature is a very important parameter for an operating vanadium redox flow battery (VRFB). During charging and discharging, the temperature of VRFB is constantly changing. In this paper, a self‐made 35 kW vanadium stack was charged & discharged at the current density of 100 and 120 mA cm−2 to investigate the change trend of real‐time operating temperature. The results show that the temperature decreases during charging and increases during discharging. And the average temperature of each cycle increases with continuous charge‐discharge cycles. The influences of real‐time temperature on performance of columbic efficiency (CE), voltage efficient (VE), over‐potential, capacity, energy, state of charge (SOC), and pressure loss were further investigated. The results show that the temperature fluctuation largely affects the electrochemical properties of VRFB. With the real‐time average temperature increased from 16.02 °C to 29.91 °C, the VE, capacity, energy and the SOC range of the battery increased, while the CE, the over‐potential and the average pressure loss decreased. This work not only gives data support to temperature management of VFB, but also provides direction to the engineering application of all flow batteries.
First‐Principles Investigation of Electronic and Thermodynamic Properties of Honeycomb CuSe
Authors: Batool Attia , Saleem Muhammad Imran , Cao Chuanbao 
Published: June 2024

AbstractIn the realm of materials science, a fascinating class of substances known as topological nodal line semimetals have garnered significant attention. These materials possess distinctive quantum states, characterized by topologically nontrivial conduction and valence bands that intricately intersect with the Fermi level. Such unique band structures give these materials a plethora of surprising properties, including the emergence of flat Landau levels and the appearance of long‐range Coulomb interactions. Notably, certain bulk materials, namely PbTaSe2, ZrSiS, PtSn4, and Cu2Si, exhibit these intriguing topological nodal lines. However, the theoretical investigation pertaining to CuSe and its Dirac nodal line properties remains relatively limited. In this work, we have employed simulations on CuSe to elucidate its distinctive physical properties such as a Dirac matter. There exist Dirac bands and band inversion in the vicinity of Fermi levels, and Fermi surface holds a Horn‐like structure. We pointed out the occurrence of mirror reflection symmetry‐protected Dirac nodal line fermions in copper selenide (CuSe) that make CuSe a candidate for Dirac nodal line fermion started by the Se 4p and Cu 3d orbitals. The nontrivial topological edge states further verify our proposal of the mirror reflection symmetry is broken by spin‐orbit coupling. These findings provide a new perspective that advances our comprehension of the remarkable properties exhibited by these materials, thereby paving the way for the development of high‐speed and low‐dissipation devices in the future.
Dibenzothiophene Bridged Bis‐Bodipy and Bis‐Metal Dipyrrin Complexes
Authors: Kaur Gurpreet , Ravikanth Mangalampalli 
Published: June 2024

AbstractDibenzothiophene (DBT) bridged bis‐dipyrromethane was synthesized by treating readily available 4,6‐di(p‐formylphenyl) dibenzothophene with pyrrole under acid catalyzed conditions. The DBT bridged bis‐dipyrromethane was further oxidized with DDQ to afford the DBT bridged bis‐dipyrrin which was used as a ligand to prepare DBT bridged bis‐BODIPY, bis‐Ni(II) dipyrrin and bis‐Pd(II) dipyrrin complexes by treating the ligand with BF3 ⋅ Et2O, Ni(acac)2 and Pd(acac)2 respectively under mild reaction conditions. The DBT‐bridged bis‐BODIPY and bis‐metal dipyrrin complexes were thoroughly characterized and studied by HR‐MS, 1D & 2D NMR, absorption, fluorescence, cyclic voltammetry and DFT techniques. The bis‐BODIPY and bis‐Pd(II) dipyrrin showed highly intense absorption band at ~500 nm along with one low intense absorption band at 340 nm whereas the bis‐Ni(II) dipyrrin complex showed slightly broadened blue shifted high intense band at 490 nm along with one additional band at 426 nm. The bis‐BODIPY was fluorescent with fluorescence band at 524 nm and quantum yield of 0.031 whereas bis‐M(II) dipyrrin complexes were nonfluorescent. DFT optimized structures revealed that the BODIPY units are more planar with the dibenzophene moiety in bis‐BODIPY with an angle of ∼5.68°. However, in 3‐Pd and 3‐Ni, the M(II)‐dipyrrin units are much more deviated from the dibenzothiophene plane with an angle of 12.81°–14.23°.