bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis, Insecticide Evaluation & Molecular Docking Studies of Some New Functionalized Pyrazole Derivatives Against the Cotton Leafworm, Spodoptera littoralis
Authors: Mousa Sayed A. S. , El‐Qaliei Mohamed I. H. , Atalla Ahmed A. , Hussien Ahmed H. H. , Khodairy Ahmed , Abdou Aly , Drar Ali M. , Gad Mohamed A. 
Published: July 2024

Abstract5‐(Cyanomethyl)‐3‐((5,5‐dimethyl‐3‐oxocyclohex‐1‐en‐1‐yl)amino)‐1H‐pyrazole‐4‐carbonitrile (3) is used as a key for the synthesis of arylidenes 5 a–fvia its reaction with some aldehydes 4 a–f. 5‐[(5,5‐Dimethyl‐3‐oxocyclohex‐1‐en‐1‐yl)amino]‐3‐(2‐imino‐2H‐chromen‐3‐yl)‐1H‐pyrazole‐4‐carbonitrile (7) was synthesized via the reaction of compound (3) with 2‐Hydroxybenzaldehyde in EtOH/piperidine. The target compounds were tested against cotton leafworm larvae in their second and fourth instar. The available data demonstrated that the LC50 values for commercial phenylpyrazole were 3.37 mg/L and 4.55 mg/L for the most affected synthesized compound, 5 b. The chemical structure of compound 5 bhas two cyano moieties, a pyrazole ring and a chlorophenyl, which may be increasing it efficiency. Evaluation of the latent effects of the examined synthesized compounds on various biological parameters, including adult longevity, pupal weight, proportion of normal, deformed pupae, adult emergency, fecundity, and egg hatchability, was done in an additional effort to slightly improve insecticidal compounds. Seven target synthesized compounds were subjected to a molecular docking analysis against glutamate‐activated chloride channels. Twelve artificial compounds with the PDB ID of 4COF were subjected to a molecular docking study against the gamma‐aminobutyric acid receptor (GABA).
Synthesis, Antimicrobial Evaluation, DFT, in Silico‐Docking, and ADMET Investigations of Novel Chromene‐Based 2,4‐Thiazolidinediones
Authors: Mohamed Ahmed Mohamed S. , Alfraiji Redhab AJ , Attaby Fawzy A. , Abdallah Zeinab A. 
Published: July 2024

AbstractThree series of thiazolidinedione (TZD) derivatives (5a‐f, 7a‐f, and 9a‐f) were prepared efficiently. Afterward, the synthesized candidates’ antibacterial efficacy against both gram‐positive and gram‐negative bacteria was assessed. Compounds 7c, 7d, and 7f had values comparable to that of ampicillin, a reference antibiotic, whereas compounds 5c, 5d, and 7e exhibited the greatest values (23.0±1.0, 27.7±0.6, and 20.0±1.0, respectively) against gram‐positive bacteria (Staphylococcus aureus). The optimal structure of the produced molecules was determined by DFT computing. To assess the binding energy and elucidate the interaction between the potential candidates and different proteins, in silico docking is employed. ADMET analysis to assess the synthesized compounds’ toxicity, metabolism, excretion, distribution, and absorption.
Hypolipidemic Effects of Mesona chinensis Benth Polysaccharides with Different Structures and Molecular Weights
Authors: Du Jia‐lin , Xiao Lu‐Hua , Yang Jie‐hui , Luo Qing , Li Jing‐wen , Feng Ying‐shan , Zhan Ruo‐Ting , Yan Ping 
Published: July 2024

AbstractFour novel Mesona chinensis Benth polysaccharides were isolated using aqueous alcohol precipitation. Their molecular weights were determined using high‐performance gel permeation chromatography: MA1 (2.3 kDa), MA2 (80.5 kDa), MA3 (180.9 kDa), and MA4 (635.2 kDa), and their compositions were analyzed using GC–MS. The polysaccharides were mainly D‐glucose, D‐galactose, L‐Rhamnose, D‐arabinose, D‐xylose, and D‐mannose. The structural characteristics were further analyzed using infrared spectrophotometry and were identified as a type of pyrrhic sugar. An insulin‐induced insulin resistance model of HepG2 cells and oleic acid‐induced fat accumulation model of insulin were established to evaluate the hypolipidemic effects. Three Bacteroides spp. [Bacteroides thetaiotaomicron (BT), B. ovatus (BO), and B. cellulosilyticus (BC)] that were negatively correlated with lipid‐lowering activity were used to evaluate the lipid‐lowering activity of polysaccharides. The Bacteroides metabolites of MA1 and MA2 exhibited hypolipidemic effects and antioxidant activities and could potentially be used as lipid‐lowering supplements.
Synthesis of Novel Benazepril‐Derived Trizole Compounds Assisted by Ultrasound: In Vitro and In Silico Analysis for Potential Anticancer Properties
Authors: Ettam Ashok , Rao L. Vaikunta , Balakishan Guniganti , Kancha Rama Krishna , Mullaguri Sai Chairitha , Kumar K. Shiva 
Published: July 2024

AbstractBenazepril‐based novel trizole derivatives are being explored as potential anticancer agents, designed with an N‐substituted 1,2,3‐triazole moiety linked to Benazepril's N‐1 position via a methylene bridge. An ultrasound irradiated CuAAC method was used to prepare all these compounds and evaluated their anti‐proliferative activities against cancer and drug‐resistant cell lines. While some of these compounds demonstrated anti‐proliferative activity towards leukemic cancer cell line K562, two of them displayed complete inhibitory activity. Interestingly, the compounds 5n and 5o showed potent activity against imatinib‐resistant cell lines suggesting their promise to overcome cancer drug resistance. Furthermore, molecular docking analysis revealed that compounds 5n and 5o have higher predicted sensitivity towards ACE protein when compared to benazepril and lisinopril indicating their value as potential drug lead molecules. This research introduces a distinctive approach by employing ultrasound to facilitate CuAAC reactions in medicinal chemistry.
Integrated analysis of differentially m6A modified and expressed lncRNAs for biomarker identification in coronary artery disease
Authors: Jiang Rongli , Jia Qiaowei , Li Chengcheng , Gan Xiongkang , Zhou Yaqing , Pan Yang , Fu Yahong , Chen Xiumei , Liang Lanyu , Jia Enzhi 
Published: July 2024

AbstractN6‐methyladenosine (m6A) is the most prevalent internal RNA modification in mammals. However, limited research has been conducted on the role of m6A in coronary artery disease (CAD). We conducted methylated RNA immunoprecipitation sequencing and RNA sequencing to obtain a genome‐wide profile of m6A‐modified long noncoding RNAs (lncRNAs) in human coronary artery smooth muscle cells either exposed to oxidized low‐density lipoprotein treatment or not, and the characteristics of the expression profiles were explored using Gene Ontology and Kyoto Encyclopedia of Genes and Genomes analyses. The predictive effects of seven selected lncRNAs on CAD were evaluated in peripheral blood mononuclear cells (PBMCs). The differentially m6A‐modified and expressed lncRNAs related genes were predominantly enriched in small GTPase‐mediated signal transduction, ErbB signaling, and Rap1 signaling. Additionally, the expression levels of uc003pes.1, ENST00000422847, and NR_110155 were significantly associated with CAD, with uc003pes.1 identified as an independent risk factor and NR_110155 as an independent protective factor for CAD. NR_110155 and uc003pes.1 in PBMCs have the potential to serve as biomarkers for predicting CAD.
A rare case of pericardial sarcoidosis presenting as chest pain
Authors: El Sharu Husam , Jain Prarthana , Singer Bart , Snyder E. Amanda 
Published: July 2024

Key Clinical MessagePericardial sarcoidosis is an uncommon cause of chest pain to consider, and it requires a heightened level of suspicion and thorough history gathering. If there is suspicion of inflammatory disease, pursuing advanced imaging and biopsies is crucial, as early immunosuppressive treatment can enhance outcomes.AbstractPericardial involvement in sarcoidosis is a rare condition with limited research. This case study discusses a 52‐year‐old African American woman who presented with subacute chest pain and was diagnosed with pericardial sarcoidosis. Diagnostic evaluation revealed extensive lymphadenopathy and pericardial effusion, and a pericardial biopsy confirmed non‐caseating granulomatous inflammation. Treatment with steroids and methotrexate resulted in clinical improvement. Eight months follow‐up showed near resolution of pericardial disease. This case emphasizes the importance of considering cardiac sarcoidosis in sarcoidosis patients, utilizing advanced imaging for accurate diagnosis, and tailoring treatment to the level of cardiac involvement.
Stereo‐Active Lone Pairs Induced Second Harmonic Generation Responses and Electrocatalytic Activity in Hybrid Material
Authors: Ding Kun , Zhuang Bo , Deng Bo‐Wen , Li Zhi‐Long , Lu Hai‐Feng , Zhang Zhi‐Xu , Fu Da‐Wei 
Published: July 2024

AbstractThe lone pair electrons in the electronic structure of molecules have been a prominent research focus in chemistry for more than a century. Stable s2 lone pair electrons significantly influence material properties, including thermoelectric properties, nonlinear optical properties, ferroelectricity, and electro(photo)catalysis. While major advances have been achieved in understanding the influence of lone pair electrons on material characteristics, research on this effect in organic‐inorganic hybrid materials is in its initial stage. In this work, we successfully obtained a novel organic‐inorganic hybrid multifunctional material incorporating Ge with 4s2 lone pair electrons, (MeHDabco)2[GeBr3]4‐H2O (MeHDabco=N‐methyl‐1,4‐diazabicyclo[2.2.2]octane) (1). Driven by the stereochemically active lone pair electrons on the Ge2+, 1 crystallizes in the noncentrosymmetric space group P21 at room temperature and exhibits good second harmonic generation (SHG) responses. Interestingly, 1 also shows electrocatalytic activity for the hydrogen evolution reaction (HER) due to the existence of lone pair electrons on Ge2+ cations. The electrochemical experiment combined with the density functional theory (DFT) calculations revealed that the lone pair electrons act as both an active site for proton adsorption and facilitate the ionization of water. This work not only emphasizes the important role of lone pair electrons in material properties and functions but also provides new insight for designing novel Ge‐based multifunctional hybrid materials.
Kinetics of cashew apple drying through mechanistic models and analysis of the effects of drying conditions on the retention of bioactive compounds
Authors: Shirsat Vikramaditya R. , Vaidya Prakash D. , Dalvi Vishwanath H. , Singhal Rekha S. , Kelkar Anil K. , Joshi Jyeshtharaj B. 
Published: July 2024

AbstractGlobal cashew nut production is nearly 4 million tons per year, valued at 7 billion US dollars. Remarkably, almost the entire cashew apple crop, amounting to 20 million tons annually, goes to waste. However, the cashew apple contains valuable nutraceutical compounds, including tannins, polyphenols, and carotenoids, estimated to be worth 150 million US dollars annually. Due to the highly perishable nature of cashew apples, degradation is a significant issue. In response, the current work has established drying as an effective preservation technique for these bioactive components. The effect of drying temperature on bioactive compounds has been thoroughly investigated. The non‐random two liquid (NRTL) activity coefficient model effectively captures the thermodynamics of the drying process. To facilitate the selection and design of drying equipment, two mechanistic mass transfer models were developed. The first model employs the Maxwell‐Stefan framework to account for internal diffusion, with external mass transfer resistance appearing as a boundary condition. While this model works well for products like grapes, it proved inadequate for explaining the drying behaviour of cashew apples. Consequently, a second model was developed, postulating rapid moisture transport by capillary action within the cashew apple. This model effectively captures the effects of a wide range of operating conditions, using only external mass transfer resistance as the tuneable kinetic parameter. This mechanistic model is more suitable for dryer design compared to conventional phenomenological models like the logarithmic model and the two‐term exponential model.
Self‐Assembled Bioinspired Short Metallopeptide Nanostructures for Plausible Biomedical Applications
Authors: Sharma Shruti , Kautu Aanand , Kumar Nikunj , Swain Narayan , Kumar Vikas , Singh Ramesh , Kesharwani Khushboo , Singh Narendra , Gupta Puneet , Ballabh Joshi Khashti 
Published: July 2024

AbstractMetal chelation, characterized by its precise interactions with diverse functional groups, assumes a pivotal role in providing structural stability and generating reactive centers within metalloproteins and metallopeptides. This, in turn, orchestrates the architecture and functionality of various biological processes in living organisms. In our biomimetic approach inspired by the intricacies of natural metallopeptides, we have purposefully designed pyridine‐bis‐tyrosine, a concise Metallopeptide Conjugate (sMPC). Demonstrating the capacity to form complexes with various bioactive metal ions, sMPC emerges as a promising tool for advancing our understanding of metal‐binding proteins and catalyzing the development of cutting‐edge biotechnological materials and technologies. Our investigations underscore the hierarchical self‐assembly of these abridged conjugates into toroidal to vesicle nanostructures, influenced by concentration, and their susceptibility to spatial manipulation through metal ion coordination with functional groups. These biocompatible metal peptide complexes and their resultant nanomaterials present specific potential as exceptional therapeutic agents to address problems associated with metal ion deficiencies, offering a facile and low‐cost alternative to traditional metallodrugs.
Diagnostic utility of transfer learning by using convolutional neural network for cytological diagnosis of malignant effusions
Authors: Panda Manisha , Dehuri Priyadarshini , Mohapatra Debahuti , Pandey Ankesh Kumar 
Published: July 2024

AbstractIntroductionCytological analysis of effusion specimens provides critical information regarding the diagnosis and staging of malignancies, thus guiding their treatment and subsequent monitoring. Keeping in view the challenges encountered in the morphological interpretation, we explored convolutional neural networks (CNNs) as an important tool for the cytological diagnosis of malignant effusions.Materials and MethodsA retrospective review of patients at our institute, over 3.5 years yielded a dataset of 342 effusion samples and 518 images with known diagnoses. Cytological examination and cell block preparation were performed to establish correlation with the gold standard, histopathology. We developed a deep learning model using PyTorch, fine‐tuned it on a labelled dataset, and evaluated its diagnostic performance using test samples.ResultsThe model exhibited encouraging results in the distinction of benign and malignant effusions with area under curve (AUC) of 0.8674, F‐measure or F1 score which denotes the harmonic mean of precision and recall, to be 0.8678 thus, demonstrating optimal accuracy of our CNN model.ConclusionThe study highlights the promising potential of transfer learning in enhancing the clinical pathology laboratory efficiency when dealing with malignant effusions.
Comparison of soil eDNA to camera traps for assessing mammal and bird community composition and site use
Authors: Tetzlaff Sasha J. , Katz Aron D. , Wolff Patrick J. , Kleitch Matthew E. 
Published: July 2024

AbstractSpecies detections often vary depending on the survey methods employed. Some species may go undetected when using only one approach in community‐level inventory and monitoring programs, which has management and conservation implications. We conducted a comparative study of terrestrial mammal and bird detections in the spring and summer of 2021 by placing camera traps at 30 locations across a large military installation in northern Michigan, USA and testing replicate soil samples from these sites for environmental DNA (eDNA) using an established vertebrate metabarcoding assay. We detected a total of 48 taxa from both survey methods: 26 mammalian taxa (excluding humans, 24 to species and two to genus) and 22 avian taxa (21 to species and one to genus). We detected a relatively even distribution of mammalian taxa on cameras (17) and via eDNA analysis (15), with seven taxa detected from both methods. Most medium‐to‐large carnivores were detected only on cameras, whereas semi‐fossorial small mammals were detected only via eDNA analysis. We detected higher bird diversity with camera traps (18 taxa) compared to eDNA analysis (eight taxa; four taxa were detected with both methods), but cameras alone were most effective at detecting smaller birds that frequently occupy arboreal environments. We also used Bayesian spatial occupancy models for two widely distributed game species (white‐tailed deer, Odocoileus virginianus, and ruffed grouse, Bonasa umbellus) that were moderately detected with both survey methods and found species‐specific site use (occupancy) estimates were similar between cameras and eDNA analysis. Concordant with similar studies, our findings suggest that a combination of camera trap and eDNA surveys could be most useful for assessing the composition of terrestrial mammal communities. Camera traps may be most efficient for assessing bird diversity but can be complemented with eDNA analysis, particularly for species that spend considerable time on the ground.
Changes in waiting time, need for mechanical circulatory support and outcomes in paediatric heart transplant recipients
Authors: Rosenthal Lisa‐Maria , Krauss Annemarie , Miera Oliver , Danne Friederike , Lunze Fatima , Cho Mi‐Young , Photiadis Joachim , Berger Felix , Schmitt Katharina 
Published: July 2024

AbstractAimsHeart transplantation is a well‐established treatment for end‐stage heart failure in paediatric patients, demonstrating excellent long‐term outcomes.MethodsThis retrospective study analyses 35 years of data on 244 paediatric recipients (<18 years) at a single institution from 1986 to 2022. The analysis explores changes in diagnoses, survival, waiting times and mechanical circulatory support (MCS) over three decades (1991–2000, 2001–2010 and 2011–2020).ResultsSurvival outcomes significantly improved over the study period, with 1‐year survival rates increasing from 79.3% (1991–2000) to 92.3% (2011–2020, P = 0.041). The median overall survival was 18.0 years, and median conditional survival to 1 year post‐transplant was 20.9 years. Survival differences were noted among age groups, with infants under 1 year of age experiencing higher early mortality, and adolescents (aged 11–17 years) facing increased long‐term risks, possibly linked to adult donor characteristics. Waiting times for heart transplantation increased, especially for younger age groups (0–5 and 6–10 years), reflecting the growing demand for donor organs. The use of MCS, including ventricular assist devices (VAD), surged, with 67% of recipients in the most recent decade receiving pre‐transplant VAD support. Importantly, despite prolonged waiting times and increased VAD use, overall survival continued to be favourable.ConclusionsEarly and long‐term results after paediatric heart transplantation have been continuously improving over the past decades. Despite an increased demand for donor organs and the growing reliance on VAD as bridge to transplantation, post‐transplantation survival is not compromised.
Association between vitamin A intake and depression among patients with heart failure
Authors: Wang Lu , Wang Xiancheng , Su Hongyan , Xu Jing 
Published: July 2024

AbstractAimsWe aim to investigate the association between vitamin A intake and depression among patients with heart failure (HF).Methods and resultsIn this cross‐sectional study, data of HF patients were extracted from the National Health and Nutrition Examination Survey (NHANES) 2007–2020. The independent variable was vitamin A intake, and the dependent variable was depression. Weighted univariate and multivariate logistic regression models were performed to explore the association of vitamin A intake with depression in HF patients. A total of 999 HF patients were included, with a mean age of 66.19 (0.51) years, and 566 (52.49%) were male. And 197 patients have depression. Vitamin A intake ≥731.38 mcg was associated with lower incidence of depression [odds ratio (OR) = 0.37; 95% confidence interval (CI): 0.18–0.76] in HF patients. Similarly, the relationship between high vitamin A intake and lower odds of depression were also observed in subgroups of those aged >65 years (OR = 0.16; 95% CI: 0.04–0.55), males (OR = 0.35; 95% CI: 0.14–0.86), without hypertension (OR = 0.25; 95% CI: 0.11–0.58), without diabetes (OR = 0.30; 95% CI: 0.11–0.78), with hyperlipidaemia (OR = 0.23; 95% CI: 0.09–0.64), and with chronic kidney disease (CKD) (OR = 0.32; 95% CI: 0.13–0.80).ConclusionsHigh vitamin A intake was associated with lower odds of depression in HF patients. Appropriate vitamin A supplementation may have potential benefit to the prevention of depression in HF patients. Additional prospective large‐scale studies are required to confirm whether or not vitamin A could lead to decrease in depression symptoms.
One‐Pot Double Cyclizations Involving an Aza‐Prins Process
Authors: Gouault Nicolas , Roydor Maxence , Renault Jacques , Banik Swarnayu , Subba Reddy B. V. , Lalli Claudia 
Published: July 2024

AbstractPiperidine derivatives are highly abundant in natural products and pharmaceutically relevant compounds. Aza‐Prins cyclization has emerged as a step‐ atom‐economical and stereoselective method for the preparation of such azacycles. The possibility of coupling aza‐Prins process with the formation of a second cycle in a one‐pot manner is even more powerful and makes the object of this review. Cascade/domino/tandem bis‐cyclizations involving an aza‐Prins process, for the rapid construction of complex small molecules, are discussed in detail.
Functional Volatility Relationship Analysis and Prediction in International Crude Oil Futures Markets
Authors: Sun Hao , Li Xiaodong , Li Zhouzhi , Fu Qifeng 
Published: July 2024

ABSTRACTTo measure intraday volatility in international crude oil futures markets, we use the functional conditional variance to measure volatility and focus on volatility relationship analysis and prediction. This paper analyzes the simultaneous and predictive volatility relationships in crude oil futures markets. For covariate markets with significantly positive predictive volatility relationships, this paper empirically extends the fGARCH‐X model so that it can introduce the volatility characteristics of covariate markets. The empirical application shows that using the fGARCH‐X model can generally improve the predictive effects of functional volatility in crude oil futures markets. The robustness results indicate that the improvement in volatility prediction is significant. This study is beneficial for the stable development of international crude oil futures markets and is valuable for investors' investment decision‐making.