bluuebunny/crossref_metadata_2025_split huggingface dataset:
Therapeutic Potential of Chinese Herbal Medicine and Underlying Mechanism for the Treatment of Myocardial Infarction
Authors: Pan Jiaojiao , Wang Jinhui , Lei Ziwen , Wang He , Zeng Nan , Zou Junbo , Zhang Xiaofei , Sun Jing , Guo Dongyan , Luan Fei , Shi Yajun 
Published: November 2024

ABSTRACTMyocardial infarction (MI) is a prevalent disease with high mortality rates worldwide. The course of MI is intricate and variable, necessitating personalized treatment strategies based on different mechanisms. However, variety of postoperative complications and rejections, such as heart failure, arrhythmias, cardiac rupture, and left ventricular thrombus, contribute to a poor prognosis. Despite the inclusion of antiplatelet agents and statins in the conventional treatment regimen, their clinical applicability is constrained by potential adverse effects and limited efficacy. Additionally, the mechanisms leading to MI are complex and diverse. Therefore, the development of novel compounds for MI treatment. The use of traditional Chinese medicine (TCM) in the prevention and treatment of cardiovascular diseases, including MI, is grounded in its profound historical background, comprehensive theoretical system, and accumulated knowledge. An increasing number of contemporary evidence‐based medical studies have demonstrated that TCM plays a significant role in alleviating symptoms and improving the quality of life for MI patients. Chinese herbal formulations and active ingredients can intervene in the pathological process of MI through key factors such as inflammation, oxidative stress, apoptosis, ferroptosis, pyroptosis, myocardial fibrosis, angiogenesis, and autophagy. This article critically reviews existing herbal formulations from an evidence‐based medicine perspective, evaluating their research status and potential clinical applications. Additionally, it explores recent advancements in the use of herbal medicines and their components for the prevention and treatment of MI, offering detailed insights into their mechanisms of action.
Linarin Identified as a Bioactive Compound of Lycii Cortex Ameliorates Insulin Resistance and Inflammation Through the c‐FOS/ARG2 Signaling Axis
Authors: Liu Wenxuan , Gui Runlin , Li Yang , Li Man , Lei Zhen , Jin Yanyan , Yu Yi , Li Yujia , Qian Lu , Xiong Yuyan 
Published: November 2024

ABSTRACTInsulin resistance (IR) is a central pathophysiological process underlying numerous chronic metabolic disorders, including type 2 diabetes and obesity. Lycii Cortex, a widely used traditional Chinese herb, has demonstrated potential benefits in preventing and managing diabetes and IR. Whereas, the specific bioactive compounds responsible for these protective effects and their underlying mechanisms of action remain elusive. This study aimed to identify the bioactive components within Lycii Cortex that contribute to its anti‐diabetic effects and to elucidate the molecular mechanisms underlying its beneficial actions on insulin resistance. Network pharmacology and molecular docking analyses were employed to identify the potential active compounds in Lycii Cortex and their corresponding target proteins. An in vitro model of IR was established using palmitic acid (PA)‐treated HepG2 cells. Cell viability was assessed using the CCK‐8 assay, while glucose uptake was evaluated by 2‐NBDG staining and extracellular glucose measurement. To validate the in vitro findings, an in vivo model of obesity‐induced IR was established using high‐fat diet (HFD)‐fed mice. The network pharmacology analysis preliminarily identified 13 candidate chemicals and 10 hub LyC and IR‐related genes (LIRRGs). Molecular docking analysis demonstrates that Linarin as the potential active component exhibits the greatest potential to target c‐FOS for preventing obesity‐induced IR. Enrichment analysis suggested that Linarin‐targeted pathways are correlated with inflammation. In vitro experimental validation demonstrated that Linarin was capable of protecting against PA‐induced IR in HepG2 cells evidenced by improving glucose uptake ability and reducing extracellular glucose content. Additionally, we found that Linarin ablated PA‐induced increase in the expression of c‐FOS and inflammatory cytokines. Furthermore, in PA‐treated cells, silencing c‐FOS markedly improved glucose consumption, and reduced inflammation and Arginase 2 (ARG2) expression. Similarly, as exposure to PA, silencing ARG2 also ameliorated glucose uptake and inflammation, while not affecting c‐FOS expression. In vivo experiments further showed that Linarin administration remarkably improved glucose tolerance and insulin sensitivity, and reduced the fat mass and body weight in HFD‐induced obese mice. In this study, Linarin has been identified as the bioactive compound of Lycii Cortex to ameliorate obesity‐related IR and inflammation through the c‐FOS/ARG2 signaling cascade. These findings underscore the therapeutic potential of Linarin and provide valuable insights into developing novel intervention strategies for type 2 diabetes therapy.
The Brewer–Dobson circulation in the JRA‐3Q reanalysis and the impact of changes in model physical processes
Authors: Kobayashi Chiaki , Iwasaki Toshiki 
Published: November 2024

AbstractThis study evaluates the climatology and trends of the Brewer–Dobson circulation (BDC) in the Japanese Reanalysis for Three Quarters of a Century (JRA‐3Q) reanalysis compared with those in the Japanese 55‐year reanalysis (JRA‐55) and ERA5 reanalyses. The spatial structure of the BDC shows good agreement among the reanalyses. However, zonal mean tropical upwelling near the lower stratosphere in JRA‐3Q is approximately 80% of that in JRA‐55 throughout the reanalysis period. The long‐term trend of BDC intensity for the period 1948–2022 showed a slight increase in JRA‐3Q and in JRA‐55, whereas that in ERA5 decreased. To investigate the cause of the difference in tropical upwelling between JRA‐3Q and JRA‐55, data assimilation sensitivity experiments were conducted by modifying the forecast model used in the data assimilation system. These results indicate that the difference in BDC intensity between JRA‐3Q and JRA‐55 can be primarily attributed to diabatic heating in the tropical troposphere produced in the forecast model. However, the difference between JRA‐3Q and ERA5 cannot be accounted for by diabatic heating in the forecast model. It is also found that the implementation of the non‐orographic gravity wave drag parameterisation scheme in the JRA forecast model is not the reason for the weaker BDC in JRA‐3Q.
Hotelling T2 control chart based on minimum vector variance for monitoring high‐dimensional correlated multivariate process
Authors: Oyegoke Odunayo Adiat , Adekeye Kayode Samuel , Olaomi John Olutunji , Malela‐Majika Jean‐Claude 
Published: November 2024

AbstractMultivariate control charts are practical tools that simultaneously monitor several correlated quality characteristics in a process. Monitoring high‐dimensional data structures is challenging because, in most cases, the process sample size for monitoring parameters is greater than the number of process characteristics. Many researchers have used the multivariate Hotelling's T2 chart to monitor high‐dimensional data using the maximum‐likelihood methods (MLM) to estimate the covariance matrices. However, the multivariate Hotelling's T2chart based on MLM suffers from low statistical performance. In this paper, we proposed a multivariate Hotelling's T2 chart based on the minimum vector variance (MVV) and some regularized methods for monitoring high‐dimensional data structures. The performance of the proposed chart is evaluated in terms of the average run length (ARL). The results reveal the superiority of the proposed MVV Hotelling's T2 chart over the existing Hotelling's T2 charts for high‐dimensional correlated processes.
Solution of Schrödinger Equation for Simple Diatomic Molecules Using One‐Parameter 1s Slater‐Type Orbitals Wave Function
Authors: Riyanto Fiqri Aditya , Jaelani Achmad , Prayitno Teguh Budi , Hanna Muhammad Yusrul , Sarwono Yanoar P. 
Published: November 2024

ABSTRACTThe Schrödinger equation for simple homonuclear and heteronuclear diatomic molecules is analytically solved using one‐parameter Slater‐type orbitals (STOs) to approximate the electronic wave function within a molecular orbital (MO)‐like approach. The resulting total energies, equilibrium bond lengths, potential curves, and electron densities are presented in detail. Calculations using a selected orbital exponent accurately reproduce results from standard methods. Furthermore, the optimization of the orbital exponent allows for a more accurate representation of the electronic wave function, leading to the improved results of the total energy and the equilibrium bond length, as well as minimal computational cost. Seen in the heteronuclear diatomic molecule, the use of the one‐parameter STOs allows the transformation of the heteronuclear problem into the homonuclear one, revealing the electron repulsion effect on the orbital exponent parameter.
An Anti‐Attack Neural Sliding Mode Framework Based on a Novel Non‐Fragile Observer
Authors: Liu Qi , Li Jianxun , Ma Shuping , Wang Jimin , Jiang Baoping , Yin Shen 
Published: November 2024

ABSTRACTThis article investigates anti‐attack stabilization with passivity problem of uncertain singular semi‐Markov jump systems (singular S‐MJSs) with exogenous disturbance and delay. An ingenious non‐fragile observer‐based neural sliding mode control (SMC) scheme is put forward to solve the problem. First, considering unmeasured states, a distinctive non‐fragile and decoupled observer, which does not contain the control input or any auxiliary sliding mode compensator design as in existing observer‐based SMC approaches, is established such that the disadvantages of sliding mode switching in observers in existing literature can be avoided. Then, “only one sliding surface” design and a new system analysis route are presented, and the derived sliding surface is accessibly designed. Next, a new version of stochastic admissibility and passivity sufficient condition is given, and a related algorithm via an optimization problem is proposed to determine the controller gain and the observer gain by linear matrix inequalities (LMIs). Further, a novel observer‐based anti‐attack neural SMC law, which utilizes a neural network‐based approach to approximate actuator attack, is proposed to stabilize the singular S‐MJSs against actuator attack. Finally, simulation and comparison results are presented, which demonstrate the effectiveness and superiority of our method.
Distinctiveness from whom? Evaluation of startups' distinctiveness from multiple referents in angel investment platforms
Authors: Shen Rui , Zhang Hong , Zhong Weiguo , Lu Jiangyong 
Published: November 2024

AbstractResearch SummaryOptimal distinctiveness can enhance firm performance, but we know little about how startups can achieve optimal distinctiveness when faced with multiple referents. This study investigates the strategic positioning of startups relative to two interdependent referents—incumbents and peer startups. Analyzing data for 3266 business plans from an angel investment platform in China, we find that a startup's distinctiveness from incumbents positively influences angel investors' evaluations. However, the positive effect is weakened by the startup's distinctiveness from peer startups within the same platform category. Economic signals emitted by the startup can mitigate the negative interaction between distinctiveness from both referents. Our findings suggest that startups can use a nuanced approach to attain optimal distinctiveness by aligning with peers while differentiating themselves from incumbent firms.Managerial SummaryHow can startups use their business plans to differentiate themselves from competitors and attract angel investors? Using data from business plans submitted to an angel investment platform in China, we find that a startup's distinctiveness from incumbent competitors helps attract angel investors, but this advantage diminishes when its distinctiveness from peer startups is also high. Nevertheless, startups can alleviate the negative interaction by presenting economic signals, such as financial records. Overall, our study suggests that startups can achieve optimal distinctiveness by aligning with peers while distinguishing themselves from incumbents, with economic signals acting as a legitimacy buffer to enhance their acceptance by investors.
Facile Synthesis of (S)‐2‐Aryl‐N‐(1‐phenylethylisonicotinamides) Derivatives via SMC Reaction: Their Thermodynamic and Spectroscopic Features via DFT Approach
Authors: Ahmad Fatima , Altaf Humaira , Mubarik Adeel , Rasool Nasir , Parveen Bushra , Imran Muhammad , Ahmad Gulraiz 
Published: November 2024

AbstractIn this study, 2‐bromoisonicotinic acid and (S)‐1‐phenylethaneamine were reacted in the presence of pyridine and TiCl4 to produce 2‐bromo‐N‐(1‐phenylethyl)isonicotinamide (3). The derivatives (5a–f) of (S)‐2‐bromo‐N‐(1‐phenylethyl)isonicotinamide were then created by a Suzuki–Miyaura cross‐coupling process catalyzed by palladium (0) and K3PO4 as a base. The reactivity and electronic features of the compounds were investigated using DFT molecular electrostatic potential investigations, reactivity descriptors, and frontier molecular orbital analysis.
Recent Advances in the Synthesis of Dihydropyridine and Their Corresponding Fused Systems via Multi‐Component Hantzsch Reaction Using Catalytic Nanomaterials
Authors: Lavanya Gnanamani , Abdul Khadar Iynoon Jariya Shareefa bee , Sasikala Madhu , Kalpana Venkatesan , Padmanaban Annamalai , Wang Jianli , Ali Badusha Mohamad 
Published: November 2024

Abstract1,4‐Dihydropyridines (1,4‐DHPs) represent a versatile class of organic compounds derived from pyridines, recognized for their extensive synthetic applications and significant medical significances. Among the various synthetic methodologies available, the Hantzsch dihydropyridine synthesis is particularly notable as it provides a reliable approach to the production of these compounds. Recent advancements have markedly improved the synthetic pathways leading to Hantzsch dihydropyridines and their derivatives. This review aims to thoroughly examine the recent progress in the synthesis of 1,4‐DHPs, 1,8‐dioxodecahydroacridines (AD), and polyhydroquinolines (PHQ). Emphasis is placed on novel synthetic strategies reported in recent years, specifically those that employ multicomponent reactions involving aldehydes, β‐ketoesters, and ammonium salts. Furthermore, these reactions are catalyzed by various nanocatalysts, including magnetic nanoparticles, nanocomposites, metal oxides, functionalized nanoparticles, and other environmentally friendly nanobiomaterials. The application of nanocatalysts in these processes is underscored by their contributions to structural integrity and activity enhancement, indicative of a paradigm shifts towards more sustainable and efficient synthetic methodologies. This review consolidates and assesses various synthetic routes facilitated by nanocatalysts while elucidating their distinct roles in improving the efficiency and selectivity of 1,4‐DHP synthesis. Hence, this review may pave the way for advancements in Hantzsch reactions by employing nanomaterial catalysts for the sustainable production of 1,4‐DHP derivatives.
In Vitro and In Silico Assessment of Bioactivity Potencies With Components of Aristolochia bodamae Dingler Extracts From Turkey
Authors: Ozen Tevfik , Demir Merve , Marah Sarmad , Korkmaz Hasan 
Published: November 2024

AbstractAristolochia species have been widely used in folk medicine. In this work, six solvent extracts of Aristoloia bodamae leaf, seed, and flower were investigated for the photochemical contents (TPC, TFC, and LC–MS/MS), bioactivities. Additionally, molecular docking was applied to identify whether the most abundant compounds in the extracts are responsible for the bioactivity. Total phenol and flavonoid content ranges were 10.32–160.54 mg GAE/g and 3.42–50.03 mg QE/g, respectively. The most common chemical found in most extracts was o‐coumaric acid. Leaf extracts showed the highest total antioxidant, reducing power, and free radical removal activities. Seed extracts recorded the highest antibacterial activity, and for the inhibition activity seed extracts were also the highest in general. Molecular docking demonstrates firm binding between o‐coumaric acid and AChE. The stability of the best‐docked protein was evaluated using 100 ns molecular dynamic simulation and an MM‐PBSA‐assisted effective free energy estimation. The results showed that the interaction between this enzyme and the compound was remarkably stable according to energy and molecular dynamics calculations. Overall, aboveground extracts of A. bodamae exhibited high potential in reducing oxidative damage, enzyme inhibition, DNA protection potential, and antibacterial activities, probably due to their phenolic components and o‐coumaric acid.
Cleavable Novel Thienopyridine Derivatives as Potent Antithrombotic Agents
Authors: Neerasa Jayaprakash , Kim Bongsu , Chung Hunsuk 
Published: November 2024

AbstractThienopyridine derivatives are specifically designed for utilization in antithrombotic therapy to help combat cardiovascular disorders linked to thrombosis. This study introduces new thienopyridine derivatives with superior therapeutic efficacy through synergies by dual functional compounds, developed as antithrombotic agents. Through computational design, we discovered 32 compounds out of a library of 100 compounds that exhibit efficacy. The compounds are synthesized by multiple steps and subsequently purified using chromatographic procedures to achieve a purity level of >99%. Using the ADP‐induced platelet aggregation assay, we have found 4 active test compounds (ACG‐0173‐19, ACG‐0173‐37, ACG‐A‐04, and ACG‐B‐03) out of a total of 32 compounds. On the other hand, ACG‐0173‐19, ACG‐0173‐37, ACG‐A‐04, and ACG‐B‐03 have demonstrated the highest percentage activity on factor Xa (FXa) inhibition. The ACG‐A‐04 chemical exhibited the highest hydrophilicity, specifically in terms of its aqueous solubility. It had a solubility of 0.44 mg/mL in pH 5.8, 0.29 mg/L in pH 6.2, and 0.145 mg/L in pH 7.4 buffers. In comparison, the standards APX‐01 (apixaban) and PRG‐01(prasugrel) had lower hydrophilicity. Based on cytotoxicity investigations, it was determined that the test substances do not exhibit harmful effects. The results indicated that the test chemicals can undergo hydrolysis in blood plasma rather than in other organs. Among the four test drugs, ACG‐1073‐19 exhibited an unbound fraction of 44.1%, which is twice as high as the standards (apixaban). ACG‐1073‐37 demonstrates superior plasma protein binding (33.2%) compared to all other test compounds. The compounds resulted in a higher expression of CD61, CD42b, and CD62P in platelets compared to the control. The ACG‐1073‐37 molecule had a Caco‐2 permeability of 51%, which is extremely close to the Caco‐2 permeability of the control medicines (55% for APX‐01 and 62% for PRG‐01). Through the assessment of microsomal stability, it was determined that ACG‐1073‐37 and ACG‐A‐04 exhibited metabolic stability for 42.4 and 34.14 min, respectively.
Development of Promising CDK5 Inhibitors Using Structure‐Based Pharmacophore Modeling, Molecular Docking, and Molecular Dynamics Approach
Authors: Ghosh Amar , Bhambri Suruchi , Solanki Priyanka , Jha Prakash C. , Manhas Anu 
Published: November 2024

AbstractCancer is highlighted as one of the deadliest diseases globally, with CDK5 identified as a key enzyme in cancer progression. Despite its potential as a therapeutic target, developing CDK5 inhibitors has been challenging. We used multicomplex‐based pharmacophore modeling on CDK5 complexes, identifying hydrophobic groups, hydrogen bond donors, and acceptors as crucial inhibition features. Validated models were used for the virtual screening of drug‐like natural product databases. Thereafter, the screened candidates were selected to study their binding pattern and binding efficiency in the enzyme. Four molecules were shortlisted and analyzed for electrostatic potential (ESP) energy maps. Molecular dynamic simulations and free energy calculations on the docked complexes revealed stable behavior for all, with three (CNP0299652, CNP0362830, and CNP0009633) showing higher Poisson Boltzmann surface area continuum solvation (MM‐PBSA) binding scores than the reference. These candidates demonstrated drug‐like characteristics, crucial amino acid interactions, favorable electron potentials in ESP plots, stable dynamicigher free energy, highlighting their potential as CDK5 inhibitors.
Electron Transport and Ion Diffusion in Hydrogen‐Bonded Interlayer Cross‐Linked Graphene/MXene for Wearable Micro‐Sensors
Authors: Zhu Shifan , Yang Wenshuai , Hao Chenyang , Xu Zhiheng , Tao Haijun , Tang Xiaobin , Wang Yuqiao 
Published: November 2024

Abstract2D graphene and MXene have attracted much attention in the field of energy storage devices and wearable sensors due to their excellent electrical conductivity and mechanical properties. However, the capacitance of their composites is limited by low electron transport and sluggish ion diffusion due to the lack of electron transport and ion diffusion channels between stacked interlayers. Herein, this work reports the possibility of using disodium terephthalate as an auxiliary conductive bridge to cross‐link the interlayer interaction between graphene and MXene from theoretical analysis and experimental verification. The cross‐linker with a dicarboxyl group and a conjugated structure forms hydrogen bonds with the hydroxyl groups on the surface of graphene and MXene to provide a pathway for interlayer electron transfer, while inhibiting interlayer stacking and ensuring an effective ion diffusion process. To verify the actual effect of this approach, micro‐sensors are assembled by the integration of micro‐supercapacitors. The assembled micro‐sensors demonstrate real‐time monitoring of body movements and temperature signals. This work provides a feasible strategy to promote electron transport and ion diffusion in layered composites to design next‐generation multifunctional micro‐devices.
Polydopamine Nanobowl‐Armoured Perfluorocarbon Emulsions: Tracking Thermal‐ and Photothermal‐Induced Phase Change through Neutron Scattering
Authors: Vidallon Mark Louis P. , Liu Haikun , Lu Zhenzhen , Acter Shahinur , Song Yuyang , Baldwin Chris , Teo Boon Mian , Bishop Alexis I. , Tabor Rico F. , Peter Karlheinz , de Campo Liliana , Wang Xiaowei 
Published: November 2024

AbstractAnisotropic polydopamine nanobowls (PDA NBs) show significant promise in biomedicine, distinguished by their unique optical properties and superior cellular uptake compared to spherical nanoparticles. This study presents a novel approach for creating multistimuli‐activated PDA NB‐armored emulsions, encapsulating perfluorohexane (NB‐H) and perfluoropentane (NB‐P) cores, with applications in controlled delivery and ultrasound imaging. Thermal and photothermal activation induced distinct responses in the emulsions, as evidenced by optical microscopy and thermogravimetric analysis. For the first time, neutron scattering techniques (SANS and USANS) under contrast matching conditions are applied to investigate these materials, revealing detailed droplet and microbubble structures and phase transition dynamics. These results show that NB‐H droplets resist phase change under direct heating, whereas NB‐P droplets respond more readily, exhibiting significant bubble formation. During photothermal activation with short near‐infrared (NIR) exposure (15 min at 400 mW cm−2), SANS and USANS analyses reveal varying degrees of phase transition, proving this activation method to be more effective than direct heating. Importantly, NB‐H and NB‐P droplets have excellent ultrasound contrast enhancement and biocompatibility, indicating their potential for contrast‐enhanced ultrasound imaging, theranostics, and photothermal applications. This comprehensive study advances the understanding of multifunctional colloidal materials in biomedicine, contributing essential knowledge to this rapidly evolving field.