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104 results found.

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Experimental, Spectroscopic, Computational and Molecular Studies of Plant Growth Promotor 2-Naphthylacetic Acid
Article
Article
Mohd Amin Mir et al · Vasyl Stefanyk Carpathian National University · 2025 · ISSN 1729-4428
The bioactive compound 2-Naphthylacetic Acid was the subject of theoretical experiments using DFT-B3LYP techniques with 6-311++G(d,2p) basis sets. Computational analysis included the calculation of 2-Naphthylacetic Acid'...
LCC TENDOlBoeXNpY3M~Idioma English
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Open Access
Novel fluorinated curcuminoids and their pyrazole and isoxazole derivatives: Synthesis, structural studies, Computational/Docking and in-vitro bioassay
Article
Article
Laali, Kenneth K. et al · Elsevier Science Sa · 2018 · ISSN 0022-1139
In a continuing search for “curcuminoid (CUR) inspired” compounds with potential antitumor activity, a series of 21 new CUR-BF2 adducts and CURs bearing fluorine, trifluoromethylthio, trifluoromethoxy, and trifluorom...
Idioma English
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Open Access
Integrated computational analysis of Garcinia kola phytochemicals as acetylcholinesterase inhibitors: molecular docking, molecular dynamics simulations, and DFT studies
Article
Article
Onyekachi Onyekwere et al · Elsevier · 2026 · ISSN 3050-7871
Alzheimer's disease (AD) is a progressive neurodegenerative disorder characterized by cholinergic dysfunction, making acetylcholinesterase (AChE) a key therapeutic target. Although Garcinia kola has been widely reported ...
LCC TENDOkNvbXB1dGVyIGFwcGxpY2F0aW9ucyB0byBtZWRpY2luZS4gTWVkaWNhbCBpbmZvcm1hdGljcw~~Idioma English
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Open Access
Ferromagnetic property in Transition Metal (Mn, Fe, Ni)-Doped SnO2 for Spintronic Applications: A Review of Computational and Experimental Studies
Article
Article
Mandakini Baral et al · Vasyl Stefanyk Carpathian National University · 2024 · ISSN 1729-4428
The development of room temperature ferromagnetic property (RTFM) in TM doped SnO2 has potential application in the field of spintronic, recently attracted attention. This material exhibits exceptional chemical stability...
LCC TENDOlBoeXNpY3M~Idioma English
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Material complementario
Fabrication of a novel naltrexone biosensor based on a computationally engineered nanobiocomposite
Article
Article
Gholivand, Mohammad Bagher et al · Elsevier Science · 2014 · ISSN 0141-8130
A computationally engineered impedimetric naltrexone (NLT) biosensor based on immobilization of bovine serum albumin (BSA) onto fullerene-C60/glassy carbon electrode (FLR/GCE) has been developed using initial character...
Idioma English
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Material complementario
DFT and POM analyses of new synthesized armed pyrimidine-5-carboxylates as antitumor cytostatic agents
Article
Article
Parvez Ali et al · Springer · 2026 · ISSN 3005-1193
Abstract The research article reports a simple strategy through Vilsmeier Haack formylation for the synthesis of ethyl 1-formyl-1,2,3,6-tetrahydro-4-methyl-2-oxo/thioxo-6-phenylpyrimidine-5-carboxylates. The most facile ...
LCC TENDOkNoZW1pc3RyeQ~~Idioma English
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Open Access
Electronic Structure and Hypercorrole Features of Deprotonated Free-Base and Reduced Copper Corroles
Article
Article
Neuman, Nicolás Ignacio et al · American Chemical Society · 2025 · ISSN 0020-1669
We report the synthesis, crystal structure, and spectroscopic and computational electronic-structural characterization of two copper corroles, [Cu(5,15-bis(4-methylcarboxyphenyl)-10-(2-methylcarboxyphenyl)corrole)] (1Cu)...
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Material complementario
From Selective Permeation to Physiology in Potassium Channels
Article
Article
Sun-Joo Lee et al · American Physiological Society · 2025 · ISSN 2633-8823
Abstract Highly K+-selective potassium channels are essential for electrical signaling. The high selectivity of most K+ channels, with relative K+: Na+ permeabilities being as high as 100–1000:1 arises from the conserv...
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Open Access
Initiation in photoredox C–H functionalization reactions. Is dimsyl anion a key ingredient?
Article
Article
Buden, Maria Eugenia et al · American Chemical Society · 2017 · ISSN 8325-8333
Previous studies have reported the arylation of unactivated arenes with ArX, base (KOtBu or NaOtBu), and an organic additive at high temperatures. Recently, we showed that this reaction proceeds in the absence of additiv...
Idioma English
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Open Access
Computational Modeling of Magnetic Field Optical Fiber Sensor Considering Temperature Effects
Article
Article
Allamys A. Dias da Silva et al · Sociedade Brasileira de Microondas e Optoeletrônica e Sociedade Brasileira de Eletromagnetismo · 2023 · ISSN 2179-1074
Abstract Due to the vast area of application and reliability, fiber optic magnetic field sensors have been the subject of several studies, however, some of these application areas are submitted to temperature variations,...
LCC LCC:Electrical engineering. Electronics. Nuclear engineeringIdioma English
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Open Access
Large-scale photonic inverse design: computational challenges and breakthroughs
Article
Article
Kang Chanik et al · Wiley · 2024 · ISSN 2192-8614
Recent advancements in inverse design approaches, exemplified by their large-scale optimization of all geometrical degrees of freedom, have provided a significant paradigm shift in photonic design. However, these innovat...
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Open Access
Applications, Performance, and Research Gaps of Large Language Models in Literary Studies: A Scoping Review
Article
Article
Neda Mozaffari et al · Wiley · 2026 · ISSN 2578-1863
Novel innovations in large language models (LLMs) have demonstrated their ability to generate and analyze literary texts. As a result of intricate semantic layers, metaphors, polyphony, and nonlinear narrative structures...
LCC TENDOlBzeWNob2xvZ3k~; TENDOkluZm9ybWF0aW9uIHRlY2hub2xvZ3k~Idioma English
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Estudos de expressão gênica utilizando-se microarrays: delineamento, análise, e aplicações na pesquisa zootécnica Microarray gene expression studies: experimental design, statistical data analysis, and applications in livestock research
Article
Article
Guilherme Jordão de Magalhães Rosa et al · Sociedade Brasileira de Zootecnia · 2007 · ISSN 1516-3598
A tecnologia de microarrays, ou microarranjos de DNA, possibilita a avaliação simultânea da expressão de milhares de genes em diferentes tecidos em determinado organismo, em diferentes estágios de desenvolvimento ou...
LCC LCC:Animal cultureIdioma English
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Open Access
Experimental and Computational Evaluation of Five Hole Five Probe Flow Analyzer for Subsonic Wind Calibration
Article
Article
Akhila Rupesh et al · Embry-Riddle Aeronautical University · 2020 · ISSN 2374-6793
It is very essential to predict the flow and its related parameters to understand real life fluid flow. The real-life fluid problems are studied with wind tunnels which gives very efficient results in practice. But in th...
LCC LCC:Motor vehicles. Aeronautics. AstronauticsIdioma English
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Open Access
Multi-omic and computational approaches for biomarker discovery and clinical translation in pediatric sepsis
Article
Article
Logan R. Van Nynatten et al · Frontiers Media S.A · 2026 · ISSN 1663-9812
Sepsis remains one of the most complex and lethal syndromes in pediatric critical care, driven by dysregulated and heterogeneous host responses to infection. Despite decades of biomarker research, few biomarkers have bee...
LCC LCC:Therapeutics. PharmacologyIdioma English
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Material complementario
Supramolecular assembly involving weak hydrogen bonds, anti-parallel π···π stacking and O···C tetrel bonding interactions and LOX studies in a 1H-pyrazol-1-yl)thiazole-4-carboxylate derivative: An experimental and theoretical study
Article
Article
Ahmed, Muhammad Naeem et al · Elsevier Science · 2024 · ISSN 0022-2860
In this manuscript, we synthesized a novel ethyl 2-(5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)thiazole-4-carboxylate (5) from the reaction acetophenone with 3-methoxybenzaldehyde in basic condition to affo...
Idioma English
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Open Access
Generation and Evolution of Cavitation Bubbles in Volume Alternate Cavitation (VAC)
Article
Article
Shangshuang Chen et al · KeAi Communications Co., Ltd · 2023 · ISSN 2192-8258
Abstract Cavitation generation methods have been used in multifarious directions because of their diversity, and numerous studies and discussions have been conducted on cavitation generation methods. This study aims to e...
LCC LCC:Ocean engineering; TENDOk1lY2hhbmljYWwgZW5naW5lZXJpbmcgYW5kIG1hY2hpbmVyeQ~~Idioma English
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Role of cerebroventricular size and surgical placement in modulating catheter flow distribution
Article
Article
Christopher W. Roberts et al · BMC · 2026 · ISSN 2045-8118
Abstract Ventricular shunt catheters are the standard of care for managing hydrocephalus, yet 40% of implanted catheters fail within two years of implantation, mainly due to proximal catheter obstruction. Prior literatur...
LCC LCC:Neurology. Diseases of the nervous systemIdioma English
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Open Access
A CFD comparative study of bubbling fluidized bed behavior with thermal effects using the open-source platforms mfix and openfoam
Article
Article
Reyes Urrutia, Ramón Andrés et al · MDPI · 2021 · ISSN 2311-5521
This work studies the performance of two open-source CFD codes, OpenFOAM and MFiX, to address bubbling fluidized bed system at different temperature and heat transfer conditions. Both codes are used to predict two parame...
Idioma English
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Open Access
A Local Region Molecular Dynamics Simulation Method for Nanoscale Sliding Contacts
Article
Article
Rui-Ting Tong et al · KeAi Communications Co., Ltd · 2018 · ISSN 1000-9345
Abstract Computational efficiency and accuracy always conflict with each other in molecular dynamics (MD) simulations. How to enhance the computational efficiency and keep accuracy at the same time is concerned by each c...
LCC LCC:Ocean engineering; TENDOk1lY2hhbmljYWwgZW5naW5lZXJpbmcgYW5kIG1hY2hpbmVyeQ~~Idioma English
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Open Access
A comparison of feature extraction strategies using wavelet dictionaries and feature selection methods for single trial P300-based BCI
Article
Article
Acevedo, R. et al · Springer Heidelberg · 2019 · ISSN 0140-0118
The P300 component of event-related potentials (ERPs) is widely used in the implementation of brain computer interfaces (BCI). In this context, one of the main issues to solve is the binary classification problem that en...
Idioma English
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Material complementario
A digital archive reveals how a funding agency cooperated with academics to support the nascent field of genomics
Article
Article
Spencer S. Hong et al · Nature Portfolio · 2026 · ISSN 2041-1723
Abstract State-supported research funding agencies are critical to the scientific enterprise. However, it remains unclear how funding agencies cooperate with academic communities to realize common scientific goals. Here,...
LCC TENDOlNjaWVuY2U~Idioma English
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Open Access
A discrete model for free vibration of 3D-FGM Timoshenko beams under various boundary conditions
Article
Article
Abdellah Amouch et al · Springer · 2026 · ISSN 2731-6564
Abstract Spatial variations in stiffness and mass density make the free-vibration behavior of tridirectionally functionally graded material (3D-FGM) beams highly sensitive to material gradation, while computationally eff...
LCC TENDOk1lY2hhbmljYWwgZW5naW5lZXJpbmcgYW5kIG1hY2hpbmVyeQ~~Idioma English
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Open Access
ADAM: advanced design and AI-driven modeling for plant tissue culture media optimization
Article
Article
Hans Bethge et al · BMC · 2026 · ISSN 1746-4811
Abstract Background Optimization of biotechnological processes is traditionally limited by time-consuming trial-and-error approaches and the complexity of simultaneously optimizing multiple, often conflicting objectives....
LCC TENDOlBsYW50IGN1bHR1cmU~; LCC:Biology (General)Idioma English
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Material complementario
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