Cargando…

Exploring the promising application of Be(12)O(12) nanocage for the abatement of paracetamol using DFT simulations

The removal of paracetamol from water is of prime concern because of its toxic nature in aquatic environment. In the present research, a detailed DFT study is carried out to remove paracetamol drug from water with the help of Be(12)O(12) to eliminate the related issues. Three different geometries (C...

Descripción completa

Detalles Bibliográficos
Autores principales:	Gul, Sana, Kainat, Ali, Qaisar, Khan, Momin, Ur Rehman, Munir, AlAsmari, Abdullah F., Alasmari, Fawaz, Alharbi, Metab
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10613287/ https://www.ncbi.nlm.nih.gov/pubmed/37898689 http://dx.doi.org/10.1038/s41598-023-45674-3

Ejemplares similares

Synthesis, molecular structure and urease inhibitory activity of novel bis-Schiff bases of benzyl phenyl ketone: A combined theoretical and experimental approach
por: Ahmad, Rashid, et al.
Publicado: (2023)

Protective effect of diosmin against doxorubicin-induced nephrotoxicity
por: Ali, Nemat, et al.
Publicado: (2021)

Interaction of 5-Fluorouracil on the Surfaces of Pristine and Functionalized Ca(12)O(12) Nanocages: An Intuition from DFT
por: Ogunwale, Goodness J., et al.
Publicado: (2023)

Triethylammonium salt of a synthesized dicoumarol: Structural insight and human anti-glioblastoma activities
por: Khan, Afzal, et al.
Publicado: (2023)

Evaluation of Antimicrobial, Anticholinesterase Potential of Indole Derivatives and Unexpectedly Synthesized Novel Benzodiazine: Characterization, DFT and Hirshfeld Charge Analysis
por: Raza, Abdul Rauf, et al.
Publicado: (2023)

Structure based virtual screening and molecular simulation study of FDA-approved drugs to inhibit human HDAC6 and VISTA as dual cancer immunotherapy
por: Shahab, Muhammad, et al.
Publicado: (2023)

Adsorption of Phosgene Gas on Pristine and Copper-Decorated B(12)N(12) Nanocages: A Comparative DFT Study
por: Hussain, Shahid, et al.
Publicado: (2020)

Elucidating the adsorption of 2-Mercaptopyridine drug on the aluminum phosphide (Al(12)P(12)) nanocage: A DFT study
por: Rady, Al-shimaa S.M., et al.
Publicado: (2023)

Synthesis, Antioxidant, Molecular Docking and DNA Interaction Studies of Metal-Based Imine Derivatives
por: Ibrahim, Mohammad, et al.
Publicado: (2023)

Elucidation of the Molecular Mechanisms Underlying Sorafenib-Induced Hepatotoxicity
por: AlAsmari, Abdullah F., et al.
Publicado: (2020)

Genomics-guided targeting of stress granule proteins G3BP1/2 to inhibit SARS-CoV-2 propagation
por: Ali, Nemat, et al.
Publicado: (2021)

Geraniol Ameliorates Doxorubicin-Mediated Kidney Injury through Alteration of Antioxidant Status, Inflammation, and Apoptosis: Potential Roles of NF-κB and Nrf2/Ho-1
por: AlAsmari, Abdullah F., et al.
Publicado: (2022)

Venetoclax Induces Cardiotoxicity through Modulation of Oxidative-Stress-Mediated Cardiac Inflammation and Apoptosis via NF-κB and BCL-2 Pathway
por: AlAsmari, Abdullah F., et al.
Publicado: (2022)

Novel flurbiprofen clubbed oxadiazole derivatives as potential urease inhibitors and their molecular docking study
por: Ahmad, Sajjad, et al.
Publicado: (2023)

Ameliorative effect of vanillin on scopolamine-induced dementia-like cognitive impairment in a mouse model
por: Anand, Abhinav, et al.
Publicado: (2022)

Diosmin Alleviates Doxorubicin-Induced Liver Injury via Modulation of Oxidative Stress-Mediated Hepatic Inflammation and Apoptosis via NfkB and MAPK Pathway: A Preclinical Study
por: AlAsmari, Abdullah F., et al.
Publicado: (2021)

Dynamics of Choline-Containing Phospholipids in Traumatic Brain Injury and Associated Comorbidities
por: Javaid, Sana, et al.
Publicado: (2021)

Molecular Characterization of spa, hld, fmhA, and lukD Genes and Computational Modeling the Multidrug Resistance of Staphylococcus Species through Callindra harrisii Silver Nanoparticles
por: Waseem, Muhammad, et al.
Publicado: (2023)

Predicting the new carbon nanocages, fullerynes: a DFT study
por: Qasemnazhand, Mohammad, et al.
Publicado: (2021)

Synthesis of Iron Oxide Nanoparticles from Madhuca indica Plant Extract and Assessment of Their Cytotoxic, Antioxidant, Anti-Inflammatory, and Anti-Diabetic Properties via Different Nanoinformatics Approaches
por: Shabbir, Muhammad Aqib, et al.
Publicado: (2023)

Serum Metabolomic Analysis of Male Patients with Cannabis or Amphetamine Use Disorder
por: Alasmari, Fawaz, et al.
Publicado: (2022)

Biosynthesis and Mathematical Interpretation of Zero-Valent Iron NPs Using Nigella sativa Seed Tincture for Indemnification of Carcinogenic Metals Present in Industrial Effluents
por: Naveed, Muhammad, et al.
Publicado: (2023)

Structure Elucidation and Interaction Dynamics of MefA-MsrD Efflux Proteins in Streptococcus pneumoniae: Impact on Macrolide Susceptibility
por: Peela, Sreeram Chandra Murthy, et al.
Publicado: (2023)

Mg(12)O(12) and Be(12)O(12) Nanocages as Sorbents and Sensors for H(2)S and SO(2) Gases: A Theoretical Approach
por: Badran, H. M., et al.
Publicado: (2022)

Utilization of aqueous broccoli florets extract for green synthesis and characterization of silver nanoparticles, with potential biological applications
por: Abdulazeem, Lubna, et al.
Publicado: (2023)

Caffeine induces neurobehavioral effects through modulating neurotransmitters
por: Alasmari, Fawaz
Publicado: (2020)

Unraveling the electronic influence and nature of covalent bonding of aryl and alkyl radicals on the B(12)N(12) nanocage cluster
por: Berisha, Avni
Publicado: (2023)

Exploration of DFT and TD-DFT computation to investigate the interaction between paracetamol and lithium or its compounds
por: Singh, Madhur Babu, et al.
Publicado: (2023)

Development and Evaluation of a Physiologically Based Pharmacokinetic Model for Predicting Haloperidol Exposure in Healthy and Disease Populations
por: Alasmari, Mohammed S., et al.
Publicado: (2022)

DFT investigation of temozolomide drug delivery by pure and boron doped C(24) fullerene-like nanocages
por: Tamafo Fouegue, Aymard Didier, et al.
Publicado: (2023)

Liver Metabolomics and Inflammatory Profiles in Mouse Model of Fentanyl Overdose Treated with Beta-Lactams
por: Alasmari, Fawaz, et al.
Publicado: (2023)

Hemophagocytic Lymphohistiocytosis (HLH) Due to Fulminant Salmonella Sepsis in the Setting of IL12Rβ1 (Interleukin 12 Receptor Beta 1) Deficiency
por: Alabbas, Ali, et al.
Publicado: (2023)

Activation of IGF-1/GLP-1 Signalling via 4-Hydroxyisoleucine Prevents Motor Neuron Impairments in Experimental ALS-Rats Exposed to Methylmercury-Induced Neurotoxicity
por: Shandilya, Ambika, et al.
Publicado: (2022)

Decorating Mg(12)O(12) Nanocage with Late First-Row Transition Metals To Act as Single-Atom Catalysts for the Hydrogen Evolution Reaction
por: Allangawi, Abdulrahman, et al.
Publicado: (2023)

Whole Proteome-Based Therapeutic Targets Annotation and Designing of Multi-Epitope-Based Vaccines against the Gram-Negative XDR-Alcaligenes faecalis Bacterium
por: Alharbi, Metab, et al.
Publicado: (2022)

Liraglutide attenuates gefitinib-induced cardiotoxicity and promotes cardioprotection through the regulation of MAPK/NF-κB signaling pathways
por: AlAsmari, Abdullah F., et al.
Publicado: (2020)

Neuroinflammatory Cytokines Induce Amyloid Beta Neurotoxicity through Modulating Amyloid Precursor Protein Levels/Metabolism
por: Alasmari, Fawaz, et al.
Publicado: (2018)

Pharmacological Potential of Hippophae rhamnoides L. Nano-Emulsion for Management of Polycystic Ovarian Syndrome in Animals’ Model: In Vitro and In Vivo Studies
por: Hussain, Liaqat, et al.
Publicado: (2023)

In silico investigations of heparin binding to SARS‐CoV‐2 variants with a focus at the RBD/ACE2 interface
por: Ali, Nemat, et al.
Publicado: (2022)

Smoke Abatement
Publicado: (1906)

Cannot write session to /tmp/vufind_sessions/sess_6oirgbj9086pjgvg6tn12jp34l