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Wyniki wyszukiwania dla: BIOMOLECULES
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Effect of urea and glycine betaine on the hydration sphere of model molecules for the surface features of proteins
PublikacjaWater properties may significantly affect protein stability. Osmolytes are compounds that intrinsically affect water in many different ways and thus can influence proteins with this type of indirect mechanism. In this study, we characterize water properties in ternary solutions: model–water–osmolyte, with two model molecules: N-methylacetamide (NMA) and dimethyl sulfoxide (DMSO) and two osmolytes: glycine betaine (TMG)and urea....
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Deep eutectic solvents for the food industry: extraction, processing, analysis, and packaging applications – a review
PublikacjaFood factories seek the application of natural products, green feedstock and eco-friendly processes, which minimally affect the properties of the food item and products. Today, water and conventional polar solvents are used in many areas of food science and technology. As modern chemistry evolves, new green items for building eco-friendly processes are being developed. This is the case of deep eutectic solvents (DESs), named the...
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Paweł Możejko dr hab.
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Rapid Characterization of the Human Breast Milk Lipidome Using a Solid-Phase Microextraction and Liquid Chromatography-Mass Spectrometry-Based Approach.
PublikacjaHuman breast milk (HBM) is a biofluid consisting of various biomolecules such as proteins, lipids, carbohydrates, minerals and bioactive substances. Due to its unique and complex composition, HBM provides not only nutritional components required for the growth of the infant, but also additional protection against infections. Global insight into the composition of HBM is crucial to understanding the health benefits infants receive...
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Deep eutectic solvents microbial toxicity: Current state of art and critical evaluation of testing methods
PublikacjaDeep eutectic solvents (DESs) were described at the beginning of 21st century and they consist of a mixture of two or more solid components, which gives rise to a lower melting point compared to the starting materials. Over the years, DESs have proved to be a promising alternative to traditional organic solvents and ionic liquids (ILs) due to their low volatility, low inflammability, easy preparation, and usually low cost of compounds...
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Dominant Pathways of Adenosyl Radical-Induced DNA Damage Revealed by QM/MM Metadynamics
PublikacjaBrominated nucleobases sensitize double stranded DNA to hydrated electrons, one of the dominant genotoxic species produced in hypoxic cancer cells during radiotherapy. Such radiosensitizers can therefore be administered locally to enhance treatment efficiency within the solid tumor while protecting the neighboring tissue. When a solvated electron attaches to 8-bromoadenosine, a potential sensitizer, the dissociation of bromide...
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Phase I and phase II metabolism simulation of antitumor-active 2-hydroxyacridinone with electrochemistry coupled on-line with mass spectrometry.
PublikacjaHere, we report the metabolic profile and the results of associated metabolic studies of 2-hydroxyacridinone (2-OH-AC), the reference compound for antitumor-active imidazo- and triazoloacridinones. Electrochemistry coupled with mass spectrometry was applied to simulate the general oxidative metabolism of 2-OH-AC for the first time. The reactivity of 2-OH-AC products to biomolecules was also examined. The usefulness of the electrochemistry...
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Qualitative analysis of phospholipids and their oxidised derivatives – used techniques and examples of their applications related to lipidomic research and food analysis
PublikacjaPhospholipids (PLs) are important biomolecules that not only constitute structural building blocks and scaffolds of cell and organelle membranes, but also play a vital role in cell biochemistry and physiology. Moreover, dietary exogenous PLs are characterized by high nutritional value and other beneficial health effects, which are confirmed by numerous epidemiological studies. For this reason, PLs are of high interest in lipidomics...
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Electrochemical determination of neurotransmitter serotonin using boron/nitrogen co-doped diamond-graphene nanowall-structured particles
PublikacjaElectrode fouling is a major issue in biological detection due to the adhesion of the protein itself and polymerization of biomolecules on the electrode surface, impeding the electron transfer ability and decreasing the current response. To overcome this issue, the use of anti-fouling material, especially boron-doped diamond (BDD) electrode, is an alternative way. However, the electrocatalytic activity of BDD is inadequate compared...
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Designing a High-sensitivity Microscale Triple-band Biosensor based on Terahertz MTMs to provide a perfect absorber for Non-Melanoma Skin Cancer diagnostic
PublikacjaNon-melanoma skin cancer (NMSC) is among the most prevalent forms of cancer originating in the top layer of the skin, with basal cell carcinoma (BCC) and squamous cell carcinoma (SCC) being its primary categories. While both types are highly treatable, the success of treatment hinges on early diagnosis. Early-stage NMSC detection can be achieved through clinical examination, typically involving visual inspection. An alternative,...
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Physics-Based Coarse-Grained Modeling in Bio- and Nanochemistry
PublikacjaCoarse-grained approaches, in which groups of atoms are represented by single interaction sites, are very important in biological and materials sciences because they enable us to cover the size- and time-scales by several orders of magnitude larger than those available all-atom simulations, while largely keeping the details of the systems studied. The coarse-grained approaches differ by the scheme of reduction and by the origin...
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Practical Approach to Large-Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling Density Functional Theory
PublikacjaWe present the implementation of a hybrid continuum-atomistic model for including the effects of a surrounding electrolyte in large-scale density functional theory (DFT) calculations within the Order-N Electronic Total Energy Package (ONETEP) linear-scaling DFT code, which allows the simulation of large complex systems such as electrochemical interfaces. The model represents the electrolyte ions as a scalar field and the solvent...
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Clickable polysaccharides for biomedical applications: A comprehensive review
PublikacjaRecent advances in materials science and engineering highlight the importance of designing sophisticated biomaterials with well-defined architectures and tunable properties for emerging biomedical applications. Click chemistry, a powerful method allowing specific and controllable bioorthogonal reactions, has revolutionized our ability to make complex molecular structures with a high level of specificity, selectivity, and yield...
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The POCOBIO Database for Computed Scattering Cross-Sections for Positron Collisions with Biomolecular Systems
PublikacjaThe design of a database for positron interactions with biomolecular systems is outlined. The database contains only scattering cross sections, which are derived from theory. The data model is defined in a very flexible way, which facilitates the usage of weakly bound clusters of molecules and molecular systems with many tautomeric forms.
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Electron ionization and low energy electron attachment to molecules of biological interest
PublikacjaEthylenediaminetetraacetic acid (EDTA) and 2-amino-2-(hydroxymethyl)-1,3-propanediol (TRIS) were investigated by electron impact ionization and low energy electron attachment. Both compounds are components of biological buffers and often are used as DNA stabilizers in irradiation studies. hus it is of a great importance to understand their potential interactions with radiation. Our results revealed that at least one of them, EDTA, may...