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Search results for: proteins and lipids
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Transcriptomic Profile of Genes Encoding Proteins Involved in Pathogenesis of Sjögren’s Syndrome Related Xerostomia—Molecular and Clinical Trial
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Density functional theory calculations on entire proteins for free energies of binding: Application to a model polar binding site
PublicationIn drug optimization calculations, the molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) method can be used to compute free energies of binding of ligands to proteins. The method involves the evaluation of the energy of configurations in an implicit solvent model. One source of errors is the force field used, which can potentially lead to large errors due to the restrictions in accuracy imposed by its empirical nature....
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Toxoplasma gondii Tetravalent Chimeric Proteins as Novel Antigens for Detection of Specific Immunoglobulin G in Sera of Small Ruminants
PublicationThe detection of Toxoplasma gondii infection in small ruminants has important significance for public health and veterinary medicine. This study, for the first time, describes the reactivity of four tetravalent chimeric proteins (AMA1N-SAG2-GRA1-ROP1, AMA1C-SAG2-GRA1-ROP1, AMA1-SAG2-GRA1-ROP1, and SAG2-GRA1-ROP1-GRA2) containing immunodominant regions from the AMA1 (apical membrane antigen 1), SAG2 (surface antigen 2), GRA1 (dense...
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Interactive effects of vanadium and phosphorus on their uptake, growth and heat shock proteins in chickpea genotypes under hydroponic conditions
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Influence of a lipid bilayer on the conformational behavior of amphotericin B derivatives - A molecular dynamics study.
PublicationAmphotericin B (AmB) is an effective but very toxic antifungal antibiotic. In our laboratory a series of AmB derivatives of improved selectivity of action was synthesized and tested. To understand molecular basis of this improvement, comparative conformational studies of amphotericin B and its two more selectivederivatives were carried out in an aqueous solution and in a lipid membrane. These molecular simulation studies revealed...
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Lipid mediators involved in the oxidative stress and antioxidant defence of human lung cancer cells
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Serum lipid profile discriminates patients with early lung cancer from healthy controls
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Effect of intensive lipid-lowering therapies on cholinesterase activity in patients with coronary artery disease
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The lipid composition of Legionella dumoffii membrane modulates the interaction with Galleria mellonella apolipophorin III
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In vitro photodynamic activity of lipid vesicles with zinc phthalocyanine derivative against Enterococcus faecalis
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Simvastatin Coadministration Modulates the Electrostatically Driven Incorporation of Doxorubicin into Model Lipid and Cell Membranes
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Longitudinal study of vitamins A, E and lipid oxidative damage in human milk throughout lactation
PublicationCelem pracy było zbadanie zmian wartości całkowitego potencjału antyoksydacyjnego (TAS), stężeń witamin antyoksydacyjnych i izoprostanów (markery stresu oksydacyjnego) w siarze i mleku dojrzałym. Badaniami objęto 49 kobiet po pełno terminowej ciąży i naturalnym porodzie. Kryteria wyłączenia to czynne i bierne palenie tytoniu, ostre i przewlekłe schorzeniach oraz farmakoterapia inna niż suplementacja witamin. Próbki siary pobierano...
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Determination of viscosity changes of protein hydrolyzate solutions depending on shear rate
Open Research DataRheological characteristics of connective tissue protein solutions were made on the basis of viscosity measurement using a Brookfield viscometer using LV SC4 - 27 spindles and shear rate of 85 s-1 (Fig. 1). Solutions of protein hydrolysates with a concentration of 2% in 0.5M acetic acid were prepared.
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Depression as is Seen by Molecular Spectroscopy. Phospholipid- Protein Balance in Affective Disorders and Dementia
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Prediction of Protein Structure by Template-Based Modeling Combined with the UNRES Force Field
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Investigation of Protein Folding by Coarse-Grained Molecular Dynamics with the UNRES Force Field
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Performance of protein-structure predictions with the physics-based UNRES force field in CASP11
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Recent improvements in prediction of protein structure by global optimization of a potential energy function
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Molecular dynamics insights into protein‐glycosaminoglycan systems from microsecond‐scale simulations
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Local and long range potentials for heparin‐protein systems for coarse‐grained simulations
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Chromatin-associated microprocessor assembly is regulated by the U1 snRNP auxiliary protein PRP40
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Hot spot identification by ligand-protein surface interactions mapping – in silico study
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A comparative study of water distribution and dehydrin protein localization in maturing pea seeds
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Mapping Mechanostable Pulling Geometries of a Therapeutic Anticalin/CTLA-4 Protein Complex
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Unusual structural properties of water within the hydration shell of hyperactive antifreeze protein
PublicationMany hypotheses can be encountered explaining the mechanism of action of antifreeze proteins. One widespread theory postulates that the similarity of structural properties of solvation water of antifreeze proteins to ice is crucial to the antifreeze activity of these agents. In order to investigate this problem, the structural properties of solvation water of the hyperactive antifreeze protein from Choristoneura fumiferana were...
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Assembly of Lipopolysaccharide in Escherichia coli Requires the Essential LapB Heat Shock Protein
PublicationHere, we describe two new heat shock proteins involved in the assembly of LPS in Escherichia coli, LapA and LapB (lipopolysaccharide assembly protein A and B). lapB mutants were identified based on an increased envelope stress response. Envelope stress responsive pathways control key steps in LPS biogenesis and respond to defects in the LPS assembly. Accordingly, the LPS content in ΔlapB or Δ(lapA lapB) mutants was elevated, with...
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Are stabilizing osmolytes preferentially excluded from the protein surface? FTIR and MD studies
PublicationInteractions between osmolytes and hen egg white lysozyme in aqueous solutions were studied by means of FTIR spectroscopy and molecular dynamics. A combination of difference spectra method and chemometric analysis of spectroscopic data was used to determine the number of osmolyte molecules interacting with the protein, and the preferential interaction coefficient in presented systems. Both osmolytes – L-proline and trimethylamine-N-oxide...
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Chitosan-protein scaffolds loaded with lysostaphin as potential antistaphylococcal wound dressing materials.
PublicationAIMS: The development of technology for preparing chitosan-protein scaffolds loaded with lysostaphin, which potentially could be used as dressing for wound treatment and soft tissue infections caused by Staphylococcus aureus. METHODS AND RESULTS: The unique technology of chitosan solubilization using gaseous CO(2) instead of organic or inorganic acids was used for the incorporation of lysostaphin, the enzyme that exhibits bactericidal...
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Fatty acyl benzamido antibacterials based on inhibition of DnaK-catalyzed protein folding
PublicationWe have reported that the hsp70 chaperone DnaK from Escherichia coli might assist protein folding by catalyzing the cis/trans isomerization of secondary amide peptide bonds in unfolded or partially folded proteins. In this study a series of fatty acylated benzamido inhibitors of the cis/trans isomerase activity of DnaK was developed and tested for antibacterial effects in E. coli MC4100 cells. Nα-[Tetradecanoyl-(4-aminomethylbenzoyl)]-l-asparagine...
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Modeling protein structures with the coarse-grained UNRES force field in the CASP14 experiment
PublicationThe UNited RESidue (UNRES) force field was tested in the 14th Community Wide Experiment on the Critical Assessment of Techniques for Protein Structure Prediction (CASP14), in which larger oligomeric and multimeric targets were present compared to previous editions. Three prediction modes were tested (i) ab initio (the UNRES group), (ii) contact-assisted (the UNRES- contact group), and (iii) template-assisted (the UNRES-template...
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Justification of quasi-stationary approximation in models of gene expression of a self-regulating protein
PublicationWe analyse a model of Hes1 gene transcription and protein synthesis with a negative feedback loop. The effect of multiple binding sites in the Hes1 promoter as well as the dimer formation process are taken into account. We consider three, possibly different, time scales connected with: (i) the process of binding to/dissolving from a binding site, (ii) formation and dissociation of dimers, (iii) production and degradation of Hes1...
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General Mechanism of Osmolytes’ Influence on Protein Stability Irrespective of the Type of Osmolyte Cosolvent
PublicationThe stability of proteins in an aqueous solution can be modified by the presence of osmolytes. The hydration sphere of stabilizing osmolytes is strikingly similar to the enhanced hydration sphere of a protein. This similarity leads to an increase in the protein stability. Moreover, the hydration sphere of destabilizing osmolytes is significantly different. These solutes generate in their surroundings so-called “structurally different...
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How water mediates the long-range interactions between remote protein molecules
PublicationThe high crowding of macromolecules in the cytoplasm affects the processes that occur inside a living cell. It can, for example, promote the forming of various loosely connected structures of proteins. It also means that bulk water is, essentially, not present there. The relatively thin layer of solvent that separates macromolecules may be able to participate in the long-range interactions between them and make them respond to...
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A Colorimetric Microplate Assay for DNA-Binding Activity of His-Tagged MutS Protein
PublicationA simple microplate method was designed for rapid testing DNA-binding activity of proteins. The principle of the assay involves binding of tested DNA by his-tagged protein immobilized on a nickel-coated ELISA plate, following colorimetric detection of biotinylated DNA with avidin conjugated to horseradish peroxidase. The method was used to compare DNA mismatch binding activities of MutS proteins from three bacterial species. The...
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Emulsification alters simulated gastrointestinal proteolysis of β-casein and β-lactoglobulin
PublicationWe have studied the effect of the adsorption of milk proteins at the oil-water interface on their digestibility in simulated gastrointestinal environment. The investigations aimed to characterize how both the breakdown of the adsorbed proteins and the interactions with physiological surfactants, phosphatidylcholine (PC) and bile salts (BS), influence structural transformations of model, protein-stabilized food emulsions in the...
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Proteolysis of whey protein isolates in nanoemulsion systems: impact of nanoemulsification and additional synthetic emulsifiers
PublicationNanoemulsions are currently of interest in the functional food sector because their small droplet size (100–500 nm) provides a number of potential advantages over conventional emulsions. This study concerned the behavior of nanoemulsions stabilized with whey proteins and two synthetic emulsifiers (Tween 80 and Croduret), and exposed to conditions simulating the human upper gastrointestinal tract. In particular, the effect of synthetic...
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Interaction of imidazolium type ionic liquids with the solid phase
PublicationNiektóre ciecze jonowe, w szczególności te posiadające kation organiczny podstawiony długim łańcuchem alkilowym, wykazują strukturalne podobieństwo do surfaktantów. Samoczynne formowanie się agregatów cieczy jonowych może wpływać na procesy przenoszenia masy w wielu operacjach jednostkowych jak: ekstrakcja, nanofiltracja lub kataliza oraz transport i rozmieszczenie tych związków w środowisku naturalnym. W niniejszej publikacji...
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Thermodynamics of micellization of imidazolium ionic liquids in aqueous solutions
PublicationPodobieństwo pomiędzy strukturami niektórych cieczy jonowych, a surfaktamtami jonowymi wskazuje na możliwość wykazywania, przez te związki, tendencji do agregacji i adsorpcji na powierzchniach międzyfazowych. Mierząc w różnych temperaturach przewodnictwo elektryczne w funkcji stężenia oznaczono temperaturę Kraffta i zależność temperaturową krytycznego stężenia micelizacji (CMC) dla czterech, różniących się długościami łańcucha,...
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Hydrogen degradation of structural steels in technical hydrocarbon liquids
PublicationDla stali stopowych przeprowadzono badania absorpcji wodoru, mechaniczno-korozyjne przy stałej małej prędkości odkształcania, przy stałym obciążeniu i przy obciążeniu cyklicznie-zmiennym. Środowiskiem było paliwo kotłowe, przepracowany olej mineralny oraz gliceryna. Stwierdzono, iż pochłonięty wodór nie powoduje przedwczesnego zniszczenia stali poddanych działaniu stałego obciążenia ponizej granicy plastyczności oraz, że zaabsorbowany...
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Self-organization of imidazolium ionic liquids in aqueous solution
PublicationW pracy przeanalizowano i podsumowano wyniki badań nad samoorganizacją oraz tworzeniem micel cieczy jonowych w roztworach wodnych otrzymane przez wiele zespołów badawczych. Średnio i długołańcuchowe imidazoliowe ciecze jonowe wykazują aktywność powierzchniową zależną od długości łańcucha alkilowego w kationie, analogicznie do kationowych surfaktantów. Wskazano na liczne zagadnienia, które wymagają dalszych systematycznych badań
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Free silanols and ionic liquids as their suppressors in liquid chromatography
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Aggregate formation of imidazolium ionic liquids in aqueous solution
PublicationCiecze jonowe (ILs) stanowią nową klasę związków o szerokich możliwościach przemysłowego zastosowania. Z przeglądu dostępnej literatury wynika, że niektóre ciecze jonowe tworzą agregaty w roztworach wodnych. Zrozumienie oddziaływań międzycząsteczkowych cieczy jonowych w środowisku wodnym jest niezbędne dla prawidłowego projektowania, przewidywania i kontroli ich właściwości jako współ-rozpuszczalników, a w konsekwencji procesów...
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Micelle formation of imidazolium ionic liquids in aqueous solution
PublicationCiecze jonowe (ILs) stanowią nową klasę związków o szerokich możliwościach przemysłowego zastosowania. Z przeglądu dostępnej literatury wynika, że niektóre ciecze jonowe tworzą agregaty w roztworach wodnych. W celu określenia jak tworzenie agregatów może wpływać na przebieg procesów technologicznych, dystrybucję w środowisku oraz toksyczność konieczne jest przeprowadzenie systematycznych badań dotyczących właściwości powierzchniowych...
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THE ROLE OF NATURE IN PLACEMAKING WITHIN THE LIMITS OF HISTORIC CITIES
PublicationThis paper focuses on the role of nature in placemaking within historic cities. There are two different approaches to placemaking – The first is a more traditional approach, i.e. complete building process which entails significant investments. The second is “Lighter, Quicker, Cheaper” approach proposed by the Project for Public Spaces organization. This article discusses the role, importance and place of nature in both approaches....
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Opportunities and shortcomings of ionic liquids in single-drop microextraction
PublicationThe synergistic combination of ionic liquids (ILs) and single-drop microextraction (SDME) involves a powerful coupling toward the development of sustainable analytical methodologies. This overview provides a survey of the literature regarding the IL-SDME, including a database on relevant physicochemical properties of ILs for their application in SDME, the strategies implemented to combine IL-based SDME methods efficiently with...
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Study of Icosahedral Clusters in Close-packed Simple Liquids
PublicationThe local structure of liquid copper was determined using Steinhardt order parameters, with particular attention paid to icosahedral clusters. The positions of atoms were obtained from three sets of molecular dynamics simulations, with the forces obtained from: the Sutton-Chen (SC) potential, the Naval Research Laboratory total energy tight-binding (NRL-TB) method and the divide-and-conquer learn-on-the-fly (DCLOTF) method, respectively....
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Estimation of flow for tissue perfusion of nutrient liquids in bioreactor.
PublicationPrzedstawione zostały problemy związane z wyznaczaniem pola prędkości w warstwie przyściennej opływanej tkanki miękkiej w bioreaktorze. Warunki brzegowe na powierzchni miękkiej tkanki o właściwościach porowatych zostały w niniejszej pracy sformułowane.
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Electron attachment to representative cations composing ionic liquids
PublicationUsing ab initio electronic structure methods with flexible atomic orbital basis sets, we investigated the electronic structure and stability of reduction products of selected representative cations (C+) constituting ionic liquids. We found that an electron attachment to such cations leads to the neutral radicals, whereas a subsequent attachment of another (i.e., excess) electron leads to adiabatically stable anions only in two...
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Studies on micellar aggregation of nonionic surfactants in imidazolium liquids
PublicationA number of imidazolium ionic liquids, with 2-8 carbon atoms in cation alkyl chains, and tetrafluoroborate, hexafluorophosphate, bis(trifluoromethylsulfony)imide and trifluoromethanesulfonate anions, were characterized for their ability to support micellar aggregation of nonionic surfactants in binary solutions.
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Western blot analysis of autophagy-related proteins of A549, H226 and H460 cells after exposure to C4
Open Research DataThe dataset includes measurements of the density of autophagy-related proteins in A549, H226, and H460 cell lines following exposure to compound C4.