Search results for: PAD
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An EXAFS study of the local structure of rare-earth luminescence centres in the Ca3Ga2Ge3O12 glass
PublicationW pracy przedstawiono wyniki analizy EXAFS danych mierzonych na krawędzi L3 atomów ziem rzadkich takich jak Eu, Ho (0.7 wt.%) oraz Er (1.46 wt.%), którymi domieszkowano szkło 3CaO-Ga2O3-3GeO2. Otrzymane parametry strukturalne opisujące pierwszą powłokę koordynacyjną badanych atomów wskazują, że ich lokalne otoczenie tlenkowe jest jednakowe (niezależne od typu jonu ziemi rzadkiej) i uwzględniając strukturalny nieporządek bardzo...
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Role of miR-15b/16–2 cluster network in endometrial cancer: An in silico pathway and prognostic analysis
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Do we need a new vaccine to control the re-emergence of pertussis?
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Inhibiting Activity of HIV-1: Protease, Reverse Transcriptase and Integrase All Together by Novel Compounds Using Computational Approaches
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EASY ACCESS TOOL FOR SMALL INTERFERING RNA (siRNA) DATA
PublicationFor many decades it was an accepted dogma of molecular genetics that the expression of genes is a “one-way-road” leading only in one direction from DNA to RNA to proteins. Recent discoveries in modern molecular genetics have challenged this dogma showing that specific RNA molecules play a central role in controlling the activity of genes by changing the structure of DNA sequences, targeting other RNAs for degradation or blocking...
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Inhibiting activity of HIV-1: protease, reverse transcriptase and integrase all together by novel compounds using computational approaches (flexible and rigid docking)
PublicationAcquired immunodeficiency syndrome (AIDS), caused by human immunodeficiency virus type 1 (HIV-1) infection, is one of the most challenging diseases in recent decades. Nevertheless the shortcomings of chemical drugs such as toxicity, lack of curative effects, the search for more potent anti-HIV agents have been focused in our study. In current study, novel scaffold was designed having a benzyl and imidazole in it which are very...
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Structure-based design and evaluation of novel N-phenyl-1H-indol-2-amine derivatives for fat mass and obesity-associated (FTO) protein inhibition
PublicationFat mass and obesity-associated (FTO) protein contributes to non-syndromic human obesity which refers to excessive fat accumulation in human body and results in health risk. FTO protein has become a promising target for anti-obesity medicines as there is an immense need for the rational design of potent inhibitors to treat obesity. In our study, a new scaffold N-phenyl-1H-indol-2-amine was selected as a base for FTO protein inhibitors...
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Comparative molecular dynamics study of dimeric and monomeric forms of HIV-1 protease in ligand bound and unbound state
PublicationHuman immunodeficiency virus type 1 protease (HIV-1 PR) is a viral-encoded enzyme that forms a homodimer. HIV-1 PR is essential for replication and assembly of the virus and inactivation of HIV-1 PR enzyme causes production of immature, noninfectious viral particles and thus HIV-1 PR is an attractive target in anti-AIDS drug design. In our current work, we performed molecular dynamics (MD) calculations (500 ns) for two different...
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Impedance plethysmography as a tool for assessing exertion-related blood flow changes in the lower limbs in healthy subjects
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Underground Water Level Prediction in Remote Sensing Images Using Improved Hydro Index Value with Ensemble Classifier
PublicationThe economic sustainability of aquifers across the world relies on accurate and rapid estimates of groundwater storage changes, but this becomes difficult due to the absence of insitu groundwater surveys in most areas. By closing the water balance, hydrologic remote sensing measures offer a possible method for quantifying changes in groundwater storage. However, it is uncertain to what extent remote sensing data can provide an...
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Shape Memory Materials from Rubbers
PublicationSmart materials are much discussed in the current research scenario. The shape memory effect is one of the most fascinating occurrences in smart materials, both in terms of the phenomenon and its applications. Many metal alloys and polymers exhibit the shape memory effect (SME). Shape memory properties of elastomers, such as rubbers, polyurethanes, and other elastomers, are discussed in depth in this paper. The theory, factors...
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The structurally similar TRFH domain of TRF1 and TRF2 dimers shows distinct behaviour towards TIN2
PublicationThe telomere repeat binding-factor 1 and 2 (TRF1 and TRF2) proteins of the shelterin complex bind to duplex telomeric DNA as homodimers, and the homodimerization is mediated by their TRFH (TRF-homology) domains. We performed molecular dynamic (MD) simulations of the dimer forms of TRF1TRFH and TRF2TRFH in the presence/absence of the TIN2TBM (TIN2, TRF-interacting nuclear protein 2, TBM, TRF-binding motif) peptide. The MD results...
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Extracting functional groups of ALLINI to design derivatives of FDA‐approved drugs: Inhibition of HIV‐1 integrase
PublicationHIV‐1 integrase (IN) is crucial for integration of viral DNA into the host genome and a promising target in development of antiretroviral inhibitors. In this work, six new compounds were designed by linking the structures of two different class of HIV‐1 IN inhibitors (active site binders and allosteric IN inhibitors (ALLINIs)). Among newly designed compounds, INRAT10b was found most potent HIV‐1 IN inhibitor considering different...
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Structural, functional, and stability change predictions in human telomerase upon specific point mutations,
PublicationOverexpression of telomerase is one of the hallmarks of human cancer. Telomerase is important for maintaining the integrity of the ends of chromosomes, which are called telomeres. A growing number of human disease syndromes are associated with organ failure caused by mutations in telomerase (hTERT or hTR). Mutations in telomerase lead to telomere shortening by decreasing the stability of the telomerase complex, reducing its accumulation,...
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Modelling Coarse Particulate Matter PM10 Concentration in the Tricity Area Using GIS
PublicationEnvironmental pollution is an issue of global concern, with Particulate Matter (PM) poisoning being a prime cause of lung cancer. This has led the European Commission to establish strict daily and annual PM concentration limits. The monitoring of air quality in major cities is the responsibility of European Member States. The Tricity, a 414.81 km 2 area in northern Poland, is monitored by a network of only 9 stations operated by...
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The importance and availability of marine certified reference materials
PublicationTraceability and reliable results are the two pillars of analytical methods; certified reference materials (CRMs) meet this requirement. ISO 17034:2016 credentials provide brief information on general requirements for the competence of Reference Material Producers (RMPs). The different types of CRMs have been produced in recent years for chemical analysis in food, water, soil, and sediment matrices in recent years. This review...
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Molecular basis of TRF proteins and their interactions with peptides
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Structural analysis and predicting effects of natural mutations on telomerase
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Molecular modeling and evaluation of novel dibenzopyrrole derivatives as telomerase inhibitors and potential drug for cancer therapy
PublicationDuring previous years, many studies on synthesis, as well as on anti-tumor, anti-inflammatory and anti-bacterial activities of the pyrazole derivatives have been described. Certain pyrazole derivatives exhibit important pharmacological activities and have proved to be useful template in drug research. Considering importance of pyrazole template, in current work the series of novel inhibitors were designed by replacing central...
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Identification of 1H‐indene‐(1, 3, 5, 6)‐tetrol derivatives as potent pancreatic lipase inhibitors using molecular docking and molecular dynamics approach
PublicationPancreatic lipase is a potential therapeutic target to treat diet-induced obesity in humans, as obesity-related diseases continue to be a global problem. Despite intensive research on finding potential inhibitors, very few compounds have been introduced to clinical studies. In this work, new chemical scaffold 1H-indene-(1,3,5,6)-tetrol was proposed using knowledge-based approach, and 36 inhibitors were derived by modifying its...
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Structural and dynamic changes adopted by EmrE, multidrug transporter protein—Studies by molecular dynamics simulation
PublicationEmrE protein transports positively charged aromatic drugs (xenobiotics) in exchange for two protons and thus provides bacteria resistance to variety of drugs. In order to understand how this protein may recognize ligands, the monomer and asymmetric apo-form of the EmrE dimer embedded in a heterogeneous phospholipid (POPE + POPG) membrane were studied by molecular dynamics simulations. Dimer is regarded as a functional form of the...
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Docking simulations, Molecular properties and ADMET studies of novel Chromane6,7diol analogues as potential inhibitors of Mushroom tyrosinase
PublicationResearch on inhibition of tyrosinase enzyme has attained significant value, because tyrosinase inhibitors have potential applications in medicine, cosmetics (as whitening agents) and in agriculture (as bioinsecticides). Determination and elucidation of new tyrosinase inhibitors are not only beneficial for medical purposes, but their promising applications in improving food quality and nutritional...
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Molecular basis and quantitative assessment of TRF1 and TRF2 protein interactions with TIN2 and Apollo peptides
PublicationShelterin 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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Structural and dynamic insights on the EmrE protein with TPP+ and related substrates through molecular dynamics simulations
PublicationEmrE 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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Molecular basis and potential activity of HIV-1 reverse transcriptase toward trimethylamine-based compounds
PublicationReverse transcriptase (RT) inhibitors are currently used to treat human immunodeficiency virus (HIV)-1 infections. In this work, novel triethylamine derivatives were designed and studied by rigid and flexible docking and molecular dynamics (MD) approaches. An apo form of HIV-1 RT was also studied by MD simulation to analyze comparative response of protein in ligand-bound and ligand-unbound forms. Among newly designed HIV-1 RT inhibitors,...
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The accessibility, necessity, and significance of certified reference materials for total selenium content and its species to improve food laboratories' performance
PublicationMicronutrients are one of the most important groups of nutrients that our body needs daily in trace amounts to tackle deficiencies. Selenium (Se) is a mineral that occurs naturally in foods and is an essential component of selenoproteins that support the healthy functioning of the human body. Therefore, monitoring dietary Se concentrations must be a higher priority to meet daily intakes. Fulfillment can be addressed through applying...
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A simplified approach to determine the expiration date of certified reference material based on the results of monitoring long-term stability
PublicationAll components of the quality assurance (QA) system for measurement results depend heavily on certified reference materials (CRMs). There is a need for a comprehensive discussion of the stability study using the CRM statistical method. Monitoring involves periodic sampling and analysis of the CRM at predetermined intervals to continuously monitor stability without compromising its integrity. The obtained stability data is then...
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Selenium enrichment in broccoli sprouts as an initial step in the preparation of Certified Reference Material
PublicationSelenium is considered one of the essential elements in animals and humans. The main source of selenium intake for humans is the diet. Selenium deficiency has one of the most concerning issues worldwide. Broccoli sprouts are five-to-six-day old broccoli plants,...
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Photoacoustic response of a common starfish tissue
PublicationW pracy przedstawiono wyniki badań widma fotoakustycznego tkanki rozgwiazdy czerwonej (Asterias Rubens). Otrzymane wyniki się zbliżone do uzyskanych wcześniej dla innych organizmów żywych Trunculariopis Trunculus i Sea Urchin. Rezultaty badań potwierdziły eksperymentalnie, że organizmy stare geologicznie absorbują promieniowanie szczególnie intensywnie w zakresie długości fal, które nie są pochłaniane przez wodę.
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Padvsa Bollettino del Centro Polesano di studi storici, archeologici ed etnografici
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Recenzja: Mirosław Lenart, Patavium, Pava, Padwa. Tło kulturowe pobytu Jana Kochanowskiego na terytorium Republiki Weneckiej, Instytut Badań Literackich PAN Wydawnictwo, Warszawa 2013 ("Studia Staropolskie Series Nova", t. XXXIII), ss. 257, Indeks nazwisk, il.
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Starogard Gdański 2019, Tadeusza Kościuszki – Ignacego Paderewskiego street - video data - pedestrian, bicycles, vehicles
Open Research DataThe data contain video traffic data (pedestrian, cyclists, vehicles) registered at Kościuszki street. Date 13.06.2019, 6:00-18:00. The video camera was installed around intersections at Kościuszki and Paderewskiego street. Camera was mounted on 7-meter-high mast.
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Aqueous Extracts of Selected Potentilla Species Modulate Biological Activity of Human Normal Colon Cells
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Recognition Dynamics of Cancer Mutations on the ERp57-Tapasin Interface
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Molecular docking studies towards development of novel Gly-Phe analogs for potential inhibition of Cathepsin C (dipeptidyl peptidase I).
PublicationCathepsin C is a cysteine protease required for activation of various pro-inflammatory serine proteases and, essentially, is of interest as a therapeutic target. Cathepsin C coordinate system was employed as a model to study the interaction of some already available inhibitors of Cathepsin C. Compounds containing Gly-Phe fragment with functional groups at its ends were designed by knowledge based approach. Using AutoDock and...
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COMPUTER-AIDED DESIGN OF ORGANOPHOSPHORUS INHIBITORS OF UREASE
PublicationBased on the structure of the most potential inhibitor diamidophosphate, various novel groups of inhibitors were developed by knowledge-based design approach with covalent carbon-phosphorus or carbon-phosphorus-carbon bond to improve hydrolytic stability to inhibit the microbial ureases. Designed compounds were evaluated with 10 (LigScore1, LigScore2, PLP1, PLP2, JAIN, PMF, PMF04, LUDI_1, LUDI_2 and LUDI_3) different scoring functions...
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Organic solvents aggregating and shaping structural folding of protein, a case study of the protease enzyme
PublicationLow solubility of reactants or products in aqueous solutions can result in the enzymatic catalytic reactions that can occur in non-aqueous solutions. In current study we investigated aqueous solutions containing different organic solvents / deep eutectic solvents (DESs) that can influence the protease enzyme's activity, structural, and thermal stabilities. Retroviral aspartic protease enzyme is responsible for the cleavage of the...
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Immunization with an anti-idiotypic antibody against the broadly lipopolysaccharide-reactive antibody WN1 222-5 induces Escherichia coli R3-core-type specific antibodies in rabbits
PublicationThe mouse monoclonal antibody (mAb) WN1 222-5 recognizes a carbohydrate epitope in the inner core region of LPS that is shared by all strains of Escherichia coli and Salmonella enterica and is able to neutralize their endotoxic activity in vitro and in vivo. Immunization of mice with mAb WN1 222-5 yielded several anti-idiotypic mAbs one of which (mAb S81-19) competitively inhibited binding of mAb WN1 222-5 to E. coli and Salmonella...
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Evolution of the optical properties of chromium doped calcium tetraborate glass under high pressure
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Spectroscopic properties of the Ce-doped borate glasses
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EXAFS study of glasses of the CaO-Ga2O3-GeO2 system.
PublicationPrzedstawiono wyniki pomiaru i analizy widm absorpcji promieniowania X na krawędziach K germanu i galu uzyskane dla szkieł Ca3Ga2Ge3O12 i Ca3Ga2Ge4O14.Opisano szczegółowo lokalne otoczenie wokół jonów Ga i Ge (analiza EXAFS) i porównano uzyskane dane strukturalne z danymi opisującymi stechiometryczne odpowiedniki krystaliczne.
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ANALIZA ŁOŻYSKOWANIA MŁYNÓW ORAZ ORAZ OKREŚLENIE SPOSOBÓW I CH MODERNIZACJI ETAP1/2
PublicationCelem pracy było wykonanie analizy warunków pracy łożysk młynów rudy typu MSZC, 41.02, 41.03 oraz 41.04 wraz z określeniem możliwości zwiększenia ich nośności oraz niezawodności poprzez modernizację lub zmianę konstrukcji. Przeprowadzono symulacje komputerowe czterech typów łożysk młynów określając ich nośność, wartości grubości filmu, temperaturę w filmie olejowym, straty tarcia itp. Wykonano również analizę wpływu ukosowania...
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Evaluation of mercury content in combustible tobacco products by employing cold vapor atomic absorption spectroscopy and considering the moisture content: a comprehensive study
PublicationPlants are mainly made up of water, which constitutes between 80 and 90% of their weight. Moisture factor comes across as one of the most important in tobacco products. Rapid determination of moisture content in tobacco products comes at neces- sity in any tobacco management plants (before and after production). Therefore, the concern has been raised in this study to evaluate the moisture content in four kinds of combustible tobacco...
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Padova University Press
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Repeated bouts of exhaustive exercise increase circulating cell free nuclear and mitochondrial DNA without development of tolerance in healthy men
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Retrospective liver histomorphological analysis in dogs in instances of clinical suspicion of congenital portosystemic shunt
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High-pressure luminescence ofCr3+-dopedCaO−Ga2O3−GeO2glasses
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Multivalent Display of SARS-CoV-2 Spike (RBD Domain) of COVID-19 to Nanomaterial, Protein Ferritin Nanocages
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The influence of extracts from Potentilla species on normal human colon cells
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Chitin nanowhiskers from shrimp shell waste as green filler in acrylonitrile-butadiene rubber: Processing and performance properties
PublicationIn this work, chitin nanowhiskers with high crystallinity index were obtained from shrimp shells waste using acid hydrolysis method and then comprehensively characterized. Subsequently, the impact of chitin nanowhisker content on processing and performance of acrylonitrile-butadiene rubber based nanocomposites was evaluated. The results showed that the addition of chitin nanowhiskers increased tensile strength and tear strength...