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Wyniki wyszukiwania dla: DRUG DELIVERY, HYDROXYLATION, CARBON NANOTUBES, MOLECULAR DYNAMIC SIMULATION, ENCAPSULATION, ANTIMICROBIAL PEPTIDE
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<p>Nanoparticles And Human Saliva: A Step Towards Drug Delivery Systems For Dental And Craniofacial Biomaterials</p>
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Implementation of high-precision computation capabilities into the open-source dynamic simulation framework YADE
PublikacjaThis paper deals with the implementation of arbitrary precision calculations into the open-source discrete element framework YADE published under the GPL-2+ free software license. This new capability paves the way for the simulation framework to be used in many new fields such as quantum mechanics. The implementation details and associated gains in the accuracy of the results are discussed. Besides the "standard" double (64 bits)...
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Molecular biology GT
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A Highly Selective Biosensor Based on Peptide Directly Derived from the HarmOBP7 Aldehyde Binding Site
PublikacjaThis paper presents the results of research on determining the optimal length of a peptide chain to eectively bind octanal molecules. Peptides that map the aldehyde binding site in HarmOBP7 were immobilized on piezoelectric transducers. Based on computational studies, four Odorant Binding Protein-derived Peptides (OBPPs) with dierent sequences were selected. Molecular modelling results of ligand docking with selected peptides were...
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A novel method for drop in drop edible oils encapsulation with chitosan using a coaxial technique
Dane BadawczeThe dataset present a novel one step method for oil encapsulation. In this coaxial system the oil constitutes the core of the capsule, while the chitosan solution is the polymer shell surrounding the core to provide separation of the core from the external environment. In comparison to other encapsulation methods, the presented technique is much simpler...
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An influence of molecular weight, deacetylation degree of chitosan xerogels on their antimicrobial activity and cytotoxicity. Comparison of chitosan materials obtained using lactic acid and CO2 saturation.
PublikacjaThis paper presents a comparison of the antimicrobial activity and cytotoxicity against L929 cells of chitosan xerogels prepared by dissolving the polymer in a solution of lactic acid (LA) or carbonic acid (CO2) and then freeze-drying. There was no simple relationship between the antimicrobial activity and cytotoxicity of the samples obtained using both techniques (LA and CO2). Chitosan materials obtained by the LA method in a...
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Effect of nanosized carbon black on thermal stability and flame retardancy of polypropylene/carbon nanotubes nanocomposites
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Catalytic carbonization of polypropylene by the combined catalysis of activated carbon with Ni2O3 into carbon nanotubes and its mechanism
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Using of carbon nanotubes and nano carbon black for electrical conductivity adjustment of pressure-sensitive adhesives
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Structural and dynamic insights on the EmrE protein with TPP+ and related substrates through molecular dynamics simulations
PublikacjaEmrE is a bacterial transporter protein that forms an anti-parallel homodimer with four transmembrane helices in each monomer. EmrE transports positively charged aromatic compounds, such as TPP+ and its derivatives. We performed molecular dynamics (MD) simulations of EmrE in complex with TPP+, MeTPP+, and MBTPP+ embedded in a membrane. The detailed molecular properties and interactions were analysed for all EmrE-ligand complexes....
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Anticancer Properties of Amino Acid and Peptide Derivatives of Mycophenolic Acid
PublikacjaBackground: Although Mycophenolic Acid (MPA) is applied as prodrugs in clinic as an immunosuppressant, it also possesses anticancer activity. MPA acts as Inosine-5’-Monophosphate Dehydrogenase (IMPDH) inhibitor, where the carboxylic group at the end of the side chain interacts with Ser 276 of the enzyme via hydrogen bonds. Therefore, MPA derivatives with other polar groups indicated high inhibition too. On the other hand, potent...
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Whole-genome sequencing and antimicrobial potential of bacteria isolated from Polish honey
PublikacjaThe aim of this study was the whole-genome analysis and assessment of the antimicrobial potential of bacterial isolates from honey harvested in one geographical location—the north of Poland. In total, 132 strains were derived from three honey samples, and the antimicrobial activity of CFAM (cell-free after-culture medium) was used as a criterion for strain selection and detailed genomic investigation. Two of the tested isolates...
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Novel method controlled synthesis of silica coated carbon nanotubes
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New synthesis method of sword-sheath structured carbon nanotubes
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Carbon Nanotubes Grown with Non-Ferromagnetic Catalysts in Alcohol CVD
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Raman spectroscopy study on concentrated acid treated carbon nanotubes
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Uptake and Release of Double‐Walled Carbon Nanotubes by Mammalian Cells
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Facilitating the CVD synthesis of seamless double-walled carbon nanotubes
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Iron filled singlewalled carbon nanotubes – synthesis and characteristic properties
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Reversible electron charge transfer in single-wall carbon nanotubes
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Filled Carbon Nanotubes as Anode Materials for Lithium-Ion Batteries
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Synthesis of nickel nanocapsules and carbon nanotubes via methane CVD
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Optimization of purification and selective burning of single-wall carbon nanotubes
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Efficient production of B-substituted single-wall carbon nanotubes
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On determining defects identity in carbon nanotubes using charge probes
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Chemiresistive gas sensors based on carbon nanotubes - fabrication and application
PublikacjaOpisano przygotowanie i możliwości zastosowania chemirezystancyjnych czujników gazów wykonanych z nanorurek węglowych.
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Carbon Nanotubes Derivatized with Mediators for Laccase Catalyzed Oxygen Reduction.
PublikacjaPrzedstawiono konstrukcję elektrody w której wykorzystano nanorurki modyfikowane znanym mediatorem (ABTS). Cząsteczki mediatora przyłączono do ścian bocznych nanorurek oraz do ich końców. Porównano parametry elektrod zbudowanych w oparciu o nanorurki modyfikowane kowalencyjnie w różny sposób. Zaobserwowano pozytywny wpływ modyfikowanych nanorurek na parametry elektrody.
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Comparative molecular modelling of biologically active sterols
PublikacjaMembrane sterols are targets for a clinically important antifungal agent – amphotericin B. The relatively specific antifungal action of the drug is based on a stronger interaction of amphotericin B with fungal ergosterol than with mammalian cholesterol. Conformational space occupied by six sterols has been defined using the molecular dynamics method to establish if the conformational features correspond to the preferential interaction...
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Evaluation of Linkers’ Influence on Peptide-Based Piezoelectric Biosensors’ Sensitivity to Aldehydes in the Gas Phase
PublikacjaRecent findings qualified aldehydes as potential biomarkers for disease diagnosis. One of the possibilities is to use electrochemical biosensors in point-of-care (PoC), but these need further development to overcome some limitations. Currently, the primary goal is to enhance their metrological parameters in terms of sensitivity and selectivity. Previous findings indicate that peptide OBPP4 (KLLFDSLTDLKKKMSEC-NH2) is a promising...
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Mechanism of Binding of Antifungal Antibiotic Amphotericin B to Lipid Membranes: An Insight from Combined Single-Membrane Imaging, Microspectroscopy, and Molecular Dynamics
PublikacjaAmphotericin B is a lifesaving polyene antibiotic used in the treatment of systemic mycoses. Unfortunately, the pharmacological applicability of this drug is limited because of its severe toxic side effects. At the same time, the lack of a well-defined mechanism of selectivity hampers the efforts to rationally design safer derivatives. As the drug primarily targets the biomembranes of both fungi and humans, new insights into the...
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Osteoblast and bacterial cell response on RGD peptide‐functionalized chitosan coatings electrophoretically deposited from different suspensions on Ti13Nb13Zr alloy
PublikacjaMetallic materials for long-term load-bearing implants still do not provide high antimicrobial activity while maintaining strong compatibility with bone cells. This study aimed to modify the surface of Ti13Nb13Zr alloy by electrophoretic deposition of a chitosan coating with a covalently attached Arg-Gly-Asp (RGD) peptide. The suspensions for coating deposition were prepared in two different ways either using hydroxyacetic acid...
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Molecular mechanism of the enzymatic oxidation investigated for imidazoacridinone antitumor drug C-1311.
PublikacjaPraca miala na celu określenie molekularnego mechanizmu enzymatycznej utleniającej aktywacji wymienionego związku przeciwnowotworowego w takim układzie modelowym, w którym wcześniej wykazano jego kowalencyjne wiązanie się do DNA. Badania struktur chemicznych produktów enzymatycznej aktywacji wykazały, że dwa z nich powstają w wyniku dealkilacji łańcucha bocznego cząsteczki, natomiast dwa inne w wyniku aktywacji pierścienia imidazoakrydonu....
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Optoelectronic properties of curved carbon systems
PublikacjaSystematic investigation of optoelectronic properties of curved carbon systems has been performed and the results have been compared with the representatives of flat carbon systems. Moreover, the application of third order dispersion corrected density functional tight binding method (with third order corrections of self-consistent charges) including Becke-Johnson dumping (DFTB3-D3(BJ)) has been validated in order to obtain reliable...
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Electroporation and lipid nanoparticles with cyanine IR-780 and flavonoids as efficient vectors to enhanced drug delivery in colon cancer
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New diamidequat-type surfactants in fabrication of long-sustained theranostic nanocapsules: Colloidal stability, drug delivery and bioimaging
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Enzymatic Polymerization of Cyclic Monomers in Ionic Liquids as a Prospective Synthesis Method for Polyesters Used in Drug Delivery Systems
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Molecular-dynamics simulation of clustering processes in sea-ice floes
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NUMERICAL SIMULATION OF CRATER CREATING PROCESS IN DYNAMIC REPLACEMENT METHOD BY SMOOTH PARTICLE HYDRODYNAMICS
PublikacjaA theoretical base of SPH method, including the governing equations, discussion of importance of the smoothing function length, contact formulation, boundary treatment and finally utilization in hydrocode simulations are presented. An application of SPH to a real case of large penetrations (crater creating) into the soil caused by falling mass in Dynamic Replacement Method is discussed. An influence of particles spacing on method...
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Collagen and hyaluronic acid hydrogel in water-in-oil microemulsion delivery systems
PublikacjaThe efficacy of microemul-sion in dermal and transdermal delivery of active ingredients. Here, we assessed the water-in-oilmicroemulsion capacity to incorporate two natural polymers, i.e. collagen and hyaluronic acid withlow and high molecular weight. Systems were extensively characterized in terms of conductivity, phaseinversion studies, droplet diameter, polydispersity index and rheological properties. The results of thisresearch...
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Progress in targeting tumor cells by using drug-magnetic nanoparticles conjugate.
PublikacjaTo limit the cytotoxicity of anticancer drugs against healthy cells, an appropriate carrier should be synthesized to deliver the drug to the tumor tissue only. A good solution is to anchor a magnetic nanoparticle to the molecule of the drug and to use a properly directed external magnetic field. We have shown that the improved by us synthesis of the conjugate of doxorubicin with iron-oxide magnetic nanoparticles allows a substantial...
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Understanding homogenous nucleation: the recent phenomenological and molecular dynamic approaches
PublikacjaPraca przedstawia dwa podejścia do problemu homogenicznej nukleacji. Pierwsze jest podejściem fenomenologicznym. Nukleacja jest tu rozumiana jako wzrost kropel krytycznych, które po przejściu określonego wymiaru, warunku równowagi termodynamicznej, mają tendencje do wzrostu. W tym podejściu problem wzrostu kropel oraz problem populacji kropel jest określany poprzez parametry makroskopowe. Przedstawiono nowe rozwiązania uzyskane...
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Antimicrobial Activity of Selected Antimicrobial Peptides Against Planktonic Culture and Biofilm of Acinetobacter baumannii
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Effective Drug Concentration and Selectivity Depends on Fraction of Primitive Cells
PublikacjaPoor efficiency of chemotherapeutics in the eradication of Cancer Stem Cells (CSCs) has been driving the search for more active and specific compounds. In this work, we show how cell density-dependent stage culture profiles can be used in drug development workflows to achieve more robust drug activity (IC50 and EC50) results. Using flow cytometry and light microscopy, we characterized the cytological stage profiles of the HL-60-,...
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Journal of Aerosol Medicine and Pulmonary Drug Delivery
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Microemulsion Delivery Systems with Low Surfactant Concentrations: Optimization of Structure and Properties by Glycol Cosurfactants
PublikacjaExtensive use of microemulsions as delivery systems raises interest in the safe ingredients that can form such systems. Here, we assessed the use of two glycols, i.e., propylene glycol and pentylene glycol, and their mixtures to manipulate the properties and structure of microemulsions. Obtained systems with glycols were extensively characterized in terms of capacity to incorporate water phase, droplet size, polydispersity, structure...
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Adsorption of 1,2-Dichlorobenzene from the Aqueous Phase onto Activated Carbons and Modified Carbon Nanotubes
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Structure and thermoelectric properties of bismuth telluride—Carbon composites
PublikacjaCarbon nanotubes and amorphous carbon have been introduced into a bismuth telluride matrix (0.15 and 0.30 wt.% ratio) to investigate the influence of the carbon on the composite’s thermoelectric properties. Composites with well-dispersed additives have been obtained by sonication and ball-milling methodology. Carbon nanotubes and an amorphous carbon addition led to a decrease in electric conductivity from 1120 S/cm to 77 S/cm....
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Low-Barrier Hydrogen Bond Determines Target-Binding Affinity and Specificity of the Antitubercular Drug Bedaquiline
PublikacjaThe role of short strong hydrogen bonds (SSHB) in ligand-target binding remains largely unexplored, thereby hin- dering a potentially important avenue in the rational drug de- sign. Here, we investigate the interaction between bedaquiline (Bq), a potent anti-tuberculosis drug, and the mycobacterial ATP synthase, to unravel the role of a specific hydrogen bond to a conserved acidic residue in the target affinity and specificity....
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PTD4 Peptide Increases Neural Viability in an In Vitro Model of Acute Ischemic Stroke
PublikacjaIschemic stroke is a disturbance in cerebral blood flow caused by brain tissue ischemia and hypoxia. We optimized a multifactorial in vitro model of acute ischemic stroke using rat primary neural cultures. This model was exploited to investigate the pro-viable activity of cell-penetrating peptides: arginine-rich Tat(49–57)-NH2 (R49KKRRQRRR57-amide) and its less basic analogue, PTD4 (Y47ARAAARQARA57-amide). Our model included glucose...
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Enhancement of the structure stability of MOF‐5 confined to multiwalled carbon nanotubes
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