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- Publikacje 6942 wyników po odfiltrowaniu
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Wyniki wyszukiwania dla: DRUG DELIVERY, HYDROXYLATION, CARBON NANOTUBES, MOLECULAR DYNAMIC SIMULATION, ENCAPSULATION, ANTIMICROBIAL PEPTIDE
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Collaborative Delivery by Energy-Sharing Low-Power Mobile Robots
PublikacjaWe study two variants of delivery problems for mobile robots sharing energy. Each mobile robot can store at any given moment at most two units of energy, and whenever two robots are at the same location, they can transfer energy between each other, respecting the maximum capacity. The robots operate in a simple graph and initially each robot has two units of energy. A single edge traversal by an robot reduces its energy by one...
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Environmentally Oriented Models and Methods for the Evaluation of Drug x Drug Interaction Effects
PublikacjaThis detailed review compares known and widely used methods for drug interaction estimation, some of which now have historical significance. Pharmaceutical application has been noted as far back as several thousand years ago. Relatively late in the 20th century, however, researchers became aware that their fate and metabolism, which still remain a great challenge for environmental analysts and risk assessors. For the patient’s...
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Self-Association of Amphotericin B: Spontaneous Formation of Molecular Structures Responsible for the Toxic Side Effects of the Antibiotic
PublikacjaAmphotericin B (AmB) is a lifesaving antibiotic used to treat deep-seated mycotic infections. Both the pharmaceutical activity and highly toxic side effects of the drug rely on its interaction with biomembranes, which is governed by the molecular organization of AmB. In the present work we present detailed analysis of self-assembly of AmB molecules in different environments, interesting from the physiological standpoint, based...
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Molecular geometry of hexachlorobenzene
Dane BadawczePresented data shows molecular geometry of the ground singlet state of hexachlorobenzene and hexachlorobenzene with potassium atom in 10 angstrom distance. The geometry was obtained via MP2 and CCSD calculations using balanced polarized triple-zeta def2-TZVP basis set. Geometry is provided in the XYZ file format.
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Polyethersulfone ultrafiltration membranes modified with hybrid Ag/titanate nanotubes: physicochemical characteristics, antimicrobial properties and fouling resistance
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Delivery of Ancillary Services in Distribution Power Systems
PublikacjaOne of the technical and organizational challenges the power system faces in deregulated market conditions is to organize an ancillary services market. The growing share of distributed generation of variable (intermittent) energy sources and a change in the market position of consumers, causes the demand for distributed delivery of ancillary services. For this purpose, it is sought to use the ability of the regulatory measures:...
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Microbial acetylcholinesterase inhibitors for Alzheimer’s therapy: recent trends on extraction, detection, irradiation-assisted production improvement and nano-structured drug delivery
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Quasi-Static and Dynamic Testing of Carbon Fiber Reinforced Magnesium Composites
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Structural and dynamic properties of water within the solvation layer around various conformations of the glycine-based polypeptide
PublikacjaSeveral conformations of the solvated glycine-based polypeptides were investigated using molecular dynamics simulations. Some properties of water in the neighbouring space around these molecules were investigated. It was found, that water forms a well-defined layer - the first solvation shell - around the peptide molecule, and thickness of this layer is independent of the peptide structure, and it equals to approximately 0.28 nm....
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Antitumor activity of opiorphin, sialorphin and their conjugates with a peptide klaklakklaklak
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Diatomaceous earth as a drug-loaded carrier in a glass-ionomer cement
PublikacjaThe effect of a natural filler (diatomaceous earth [DE], a promising drug-delivery agent) and its content was investigated on the performance of a model glass-ionomer cement (GIC). Three sample series, differing in DE content (0, 2.5 and 5 wt%), were prepared using a commercial GIC as a matrix (3M Ketac Molar Easymix). The resultant surface microhardness and roughness, wear performance, and compressive strength of the samples were...
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Antipsychotic drug prescription sequence analysis in relation to death occurrence and cardiometabolic drug usage: A retrospective longitudinal study
PublikacjaThe potential role of antipsychotics in increasing cardiovascular risk of mortality is still debated. The aim of this study was to assess the death risk associated with sequences of first-generation antipsychotic (FGA) and second-generation antipsychotic (SGA) prescriptions, including clozapine and lithium, and drugs for cardiometabolic diseases. We conducted a retrospective longitudinal analysis involving 84,881 patients who received...
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Antimicrobial resistance of fecal indicators in disinfected wastewater
PublikacjaThe main objective of the study was to assess the potential of three systems (UV irradiation, ozonation, and micro/ultrafiltration) operated in a pilot scale in removal of antimicrobial-resistant fecal bacteria from secondary effluent of the local wastewater treatment plant (700,000 population equivalent). The effectiveness of the processes was analysed using the removal ratio of fecal indicators (Escherichia coli and Enterococcus...
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The effect of chitosan concentration and molecular weight on endotoxin content
Dane BadawczeThe dataset includes results to determine the effect of chitosan concentration and molecular weight on endotoxin content as well as the effect of purification methods. The endotoxin concentration was determined using the PyroGene Recombinant Factor C Endpoint Fluorescent Assay. Chitosan 0.6% in 0.1M glycolic acid from Chemat LMW, MMW, and HMW were used...
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Indole-Acrylonitrile Derivatives as Potential Antitumor and Antimicrobial Agents—Synthesis, In Vitro and In Silico Studies
PublikacjaA series of 2-(1H-indol-2-yl)-3-acrylonitrile derivatives, 2a–x, 3, 4a–b, 5a–d, 6a–b, and 7, were synthesized as potential antitumor and antimicrobial agents. The structures of the prepared compounds were evaluated based on elemental analysis, IR, 1H- and 13NMR, as well as MS spectra. X-ray crystal analysis of the representative 2-(1H-indol-2-yl)-3-acrylonitrile 2l showed that the acrylonitrile double bond was Z-configured. All...
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Probing the binding selected metal ions and biologically active substances to the antimicrobial peptide LL-37 using DSC, ITC measurements and calculations
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The Dynamic Model of Magnetic Hysteresis
PublikacjaThis paper presents the scalar dynamic magnetic hysteresis model based on the Preisach theory. The important role in this theory played hysteresis operator states. The changes of these operators` states are not immediate in the dynamic model but they are a function of time and parameter k representing the magnetic properties of the material. In this paper the transient state of the hysteresis operator is defined by the nonlinear...
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Molecular characterization of drug-resistant Mycobacterium tuberculosis strains from Poland by use of multiple genetic markers
PublikacjaW pracy przedstawiono wyniki genotypowania wielolekoopornych szczepów Mycobacterium tuberculosis, izolowanych od pacjentów z Polski.
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Probiotics and Antimicrobial Proteins
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The dataset of coupling coefficients for rotating receiver of multicoil dynamic wireless power transfer system
Dane BadawczeThe provided dataset is part of the simulation results shown in related journal paper "Optimal Rotating Receiver Angles Estimation for Multicoil Dynamic Wireless Power Transfer".
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An insight into the mixed quantum mechanical-molecular dynamics simulation of a ZnII-Curcumin complex with a chosen DNA sequence that supports experimental DNA binding investigations
PublikacjaAn important aspect of research pertaining to Curcumin (HCur) is the need to arrest its degradation in aqueous solution and in biological milieu. This may be achieved through complex formation with metal ions. For this reason, a complex of HCur was prepared with ZnII, that is not likely to be active in redox pathways, minimizing further complications. The complex is monomeric, tetrahedral, with one HCur, an acetate and a molecule...
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Pd nanoparticles with tunable diameter deposited on carbon nanotubes with enhanced hydrogen storage capacity
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Heat Transfer in Adsorption Chillers with Fluidized Beds of Silica Gel, Zeolite, and Carbon Nanotubes
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Synthesis of carbon nanotubes via chemical vapor deposition by using rareearth metals as catalysts
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Inner-Tube Chirality Determination for Double-Walled Carbon Nanotubes by Scanning Tunneling Microscopy
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Single‐walled carbon nanotubes modified by PFO: An optical absorption and Raman spectroscopic investigation
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Carbon nanotubes decorated by mesoporous cobalt oxide as electrode material for lithium-ion batteries
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On the Formation of Single-Walled Carbon Nanotubes in Pulsed-Laser-Assisted Chemical Vapor Deposition
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Systematic study on synthesis and purification of double-walled carbon nanotubes synthesized via CVD
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Novel Catalysts, Room Temperature, and the Importance of Oxygen for the Synthesis of Single-Walled Carbon Nanotubes
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Study on surface termination of boron-doped diamond electrodes under anodic polarization in H2SO4 by means of dynamic impedance technique
PublikacjaAnodic oxidation is a popular way to modify termination bonds at boron doped diamond electrodes altering their electrochemical and physicochemical properties. Our studies, performed with dynamic electrochemical impedance spectroscopy technique, supported with X-ray photoelectron spectroscopy and ellipsometry analysis prove its utility in continuous on-line monitoring of impedance changes on the electrode surface under polarization...
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Electrically Conductive Carbon‐based (Bio)‐nanomaterials for Cardiac Tissue Engineering
PublikacjaA proper self-regenerating capability is lacking in human cardiac tissue which along with the alarming rate of deaths associated with cardiovascular disorders makes tissue engineering critical. Novel approaches are now being investigated in order to speedily overcome the challenges in this path. Tissue engineering has been revolutionized by the advent of nanomaterials, and later by the application of carbon-based nanomaterials...
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Electrochemical generation of microbubbles by carbon nanotube interdigital electrodes to increase the permeability and material uptakes of cancer cells
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Structural and Dynamic Properties of Water within the Solvation Layer around Various Conformations of the Glycine-based Polypeptide
PublikacjaSeveral conformations of the solvated glycine-based polypeptides were investigated using molecular dynamics simulations. Some properties of water in the neighboring space around these molecules were investigated. It was found that water forms a well-defined layer—the first solvation shell—around the peptide molecule, and thickness of this layer is independent of the peptide structure and is equal to approximately 0.28 nm. Within...
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Occurrence of antimicrobial resistant bacteria in environment and the statistical analysis of this phenomenon
PublikacjaIntroduction: In this study the occurrence of antimicrobial resistance patterns among fecal indicators (Escherichia coli and Enterococcus spp.) was analyzed in water and wastewater samples. The trends in antimicrobial resistance were analyzed using basic statistical methods. Methods: Samples were obtained from two local watercourses (Oliwski Stream and Reda River) as well as from the wastewater treatment plant (WWTP) Gdansk - Wschod....
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Simulation Game 2024
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The comparison of semiempirical and ab initio molecular modeling methods in activity and property evaluation of selected antimicrobial sulfonamides
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Carbon Management
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Carbon Energy
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Carbon Trends
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JOURNAL OF PEPTIDE RESEARCH
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Adsorption onto zeolites: molecular perspective
Publikacja2D minerals are among key elements of advanced systems, but the need for understanding their interactions/reactions with materials and systems in which they are involved necessitates tracking their molecular and atomic monitoring. Zeolitic structures are microporous materials formed in the nature through volcanic activities or synthesis. Because of their outstanding physicochemical properties like cation exchange capacity and excellent...
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Modified Peptide Molecules As Potential Modulators of Shelterin Protein Functions; TRF1
PublikacjaIn this work, we present studies on relatively new and still not well-explored potential anticancer targets which are shelterin proteins, in particular the TRF1 protein can be blocked by in silico designed "peptidomimetic" molecules. TRF1 interacts directly with the TIN2 protein, and this protein-protein interaction is crucial for the proper functioning of telomere, which could be blocked by our novel modified peptide molecules....
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Molecular basis and quantitative assessment of TRF1 and TRF2 protein interactions with TIN2 and Apollo peptides
PublikacjaShelterin is a six-protein complex (TRF1, TRF2, POT1, RAP1, TIN2, and TPP1) that also functions in smaller subsets in regulation and protection of human telomeres. Two closely related proteins, TRF1 and TRF2, make high-affinity contact directly with double-stranded telomeric DNA and serve as a molecular platform. Protein TIN2 binds to TRF1 and TRF2 dimer-forming domains, whereas Apollo makes interaction only with TRF2. To elucidate...
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Methods for Elucidation of DNA-Anticancer Drug Interactions and Their Applications in the Development of New Drugs
PublikacjaDNA damaging agents including anthracyclines, camptothecins and platinum drugs are among most frequently used drugs in the chemotherapeutic routine. Due to their relatively low selectivity for cancer cells, administration is associated with adverse side effects, whereas the inherent genotoxicity of these drugs is associated with risk of developing secondary cancers. Development of new drugs, which could be spared of these drawbacks...
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Systematic Management of Simulation State for Multi-Branch Simulations in Simulink
PublikacjaSystematic simulation is a technique related and motivated by the formal analysis of hybrid dynamic systems. It combines the exhaustive and conservative nature of traditional model checking with numerical simulation for providing efficient algorithms to manage simulations. Multi-branch simulation is the concept advancing simulation efficiency by reducing the number of state transitions. This paper introduces an approach to implement...
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Pharmacokinetics and pharmacodynamics of propofol and fentanyl in patients undergoing abdominal aortic surgery - a study of pharmacodynamic drug-drug interactions
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Investigating Analytics Dashboards’ Support for the Value-based Healthcare Delivery Model
PublikacjaImproving the value of care is one of the essential aspects of Value-Based Healthcare (VBHC) model today. VBHC is a new HC delivery model which is centered on patient health outcomes and improvements. There is anecdotal evidence that the use of decision aid tools like dashboards can play a significant role in the successful implementation of VBHC models. However, there has been little or no systematic studies and reviews to establish...
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Synergistic effect of carbon fibers and carbon nanotubes on improving thermal stability and flame retardancy of polypropylene: a combination of a physical network and chemical crosslinking
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Nanosized Carbon Black Combined with Ni2O3 as “Universal” Catalysts for Synergistically Catalyzing Carbonization of Polyolefin Wastes to Synthesize Carbon Nanotubes and Application for Supercapacitors
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