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2 results for “nanodroplets”
Dataset for Mechanistic Insights into Interactions Between Ionizable Lipid Nanodroplets and Biomembranes
<p>This repository contains data from the manuscript:</p> <p>Čechová, P., Paloncýová, M., Šrejber, M., Otyepka, M. </p> <p><strong>Mechanistic Insights into Interactions Between Ionizable Lipid Nanodroplets and Biomembranes <br></strong><strong><em>Journal of Biomolecular Structure and Dynamics <br></em></strong></p> <p><strong><a href="https://doi.org/10.1080/07391102.2024.2329307"> https://doi.org/10.1080/07391102.2024.2329307</a> </strong></p> <p>> Data > : contains detail informations about simulated systems;<br>Data_4Zenodo.xlsx (detail properties of simulated systems);<br>Melting_dynamics.xlsx (processed data used in Figure 4);<br>Systems_and_simulations_Detailed_SI.xlsx (molecular composition and simulation parameters for all simulations)</p> <p>> Data > Figures : data used for generation of figures in the article</p> <p>> Data > input_files : *.mdp files used for simulations (for details see Systems_and_simulations_Detailed_SI.xlsx)</p> <p>> Data > PMF_data_share :</p> <p>> Data > scripts : scripts used for data analysis of system properties</p> <p>> Starting_structures > Membrane only : starting structures and topologies files for lipid bilayers</p> <p>> Starting_structures > Pulling : starting structures and topologies for pulling simulations</p> <p>> Starting_structures > Pulling > Post_pulling : final structures after biased pulling later used as starting structures for unbiased simulations</p> <p>> Starting_structures > Stress : snapshots of simulations used as starting points for for simulations used for calculations of lateral pressures</p> <p>> Trajectories_Membrane_only : compressed simulation trajectories (*.xtc) and corresponding run input files (*.tpr) for lipid bilayer</p> <p>> Trajectories_Pulling : compressed trajectories (*.xtc) for pulling simulations and subsequent unbiased runs and corresponding run input files (*.tpr)</p> <p>> Builder_4Zenodo : script for bilayer building and the input file for membrane composition definition</p> <p>> Builder_4Zenodo > lipids : lipid structure, topology and equilibration files used by the Builder.sh script</p> <p>> Builder_4Zenodo > Building_folder_test : folder with a finished building process with a sample bilayer </p> <p> </p> <p>NOMENCLATURE</p> <p>A3D : ALC-0315 ionizable lipid (deprotonated) </p> <p>A3P : ALC-0315 ionizable lipid (protonated)</p> <p>p1-p3 : replicas 1-3 for individual systems (pulling and subsequent unbiased runs)</p> <p>free : replica for given system (unbiased runs)</p> <p>ndisk : denotes simulations used for preparation of nanodisc/LNP</p> <p>tiny : denotes simulations used for long term membrane stability assessment</p> <p>pure : denotes pure lipid bilayer</p> <p>CHL : denotes cholesterol content (35 % of molar ratio) in lipid bilayers</p> <p> </p> <p>NOTE: For more details on simulation setup please see the file Systems_and_simulation_Details_SI.xlsx (in > Data)</p>
Effect of antibiotic-loaded chitosan nanodroplets on Enterococci isolated from chronic ulcers of the lower limbs
<p>Dataset from the article Mazzaccaro D, Ticozzi R, D'Alessandro S, Delbue S, Nano G, Costa E, Argenziano M, Cavalli R, Prato M, Basilico N. Effect of antibiotic-loaded chitosan nanodroplets on Enterococci isolated from chronic ulcers of the lower limbs. Future Microbiol. 2020 Sep;15:1227-1236. doi: 10.2217/fmb-2019-0255. PMID: 33026879.</p> <p><strong>Abstract </strong></p> <p><strong>Aim:</strong> To investigate the effect of a new platform of nanocarriers, called nanodroplets (NDs), to enhance the <em>in vitro</em> activity of vancomycin (Vm), against bacterial colonies isolated from chronic ulcers of the lower limbs. <strong>Materials & methods:</strong> Oxygen-loaded nanodroplets (OLNDs) or oxygen-free nanodroplets (OFNDs) were loaded with Vm (Vm-OLNDs and Vm-OFNDs). MIC and minimal bactericidal concentrations were evaluated for Vm, OLNDs and OFNDs loaded with Vm, OLNDs and OFNDs. <strong>Results & conclusion:</strong> Nanodroplets, either with or without oxygen, appeared as a suitable platform of antibiotic nanocarriers to enhance the antibacterial effects of Vm against <em>Enterococci</em>, with a decrease in both MIC and minimal bactericidal concentration against Vm-resistant <em>Enterococci</em> strains.</p>
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