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Search results for: 2D molecular descriptors
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Weak localization competes with the quantum oscillations in a natural electronic superlattice: The case of Na1.5(PO2)4(WO3)20
PublicationWe report an investigation of the combined structural and electronic properties of the bronze Na1.5(PO2)4(WO3)20. Its low-dimensional structure and possible large reconstruction of the Fermi surface due to charge density wave instability make this bulk material a natural superlattice with a reduced number of carriers and Fermi energy. Signatures of multilayered two-dimensional (2D) electron weak localization are consequently reported,...
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Flavonoids from Pseudotsuga menziesii
PublicationFour O-acetylated flavonol glycosides, new in the plant kingdom, were isolated from the needles of Pseudotsuga menziesii. Their structures were established by 1D and 2D NMR and MS data.
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Analysis of Reconstituted Tripartite Complex Supports Avidity-based Recruitment of Hsp70 by Substrate Bound J-domain Protein
PublicationHsp70 are ubiquitous, versatile molecular chaperones that cyclically interact with substrate protein(s). The initial step requires synergistic interaction of a substrate and a J-domain protein (JDP) cochaperone, via its J-domain, with Hsp70 to stimulate hydrolysis of its bound ATP. This hydrolysis drives conformational changes in Hsp70 that stabilize substrate binding. However, because of the transient nature of substrate and JDP...
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Enzymatic cross-linking of β-lactoglobulin in solution and at air–water interface: Structural constraints
PublicationEffective and controlled use of cross-linking enzymes in structure engineering of food systems depends on characterization of the favorable conditions for enzyme-substrate complex and the limiting factors for the desired modification. In this respect, we analyzed the susceptibility of bovine β-lactoglobulin (BLG) to enzymatic cross-linking by Trichoderma reesei tyrosinase (TrTyr) and transglutaminase (TG). Changes in BLG molecular...
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The Interaction of Heptakis (2,6-di-O-Methyl)-β-Cyclodextrin with Mianserin Hydrochloride and Its Influence on the Drug Toxicity
PublicationOne tetracyclic antidepressant, mianserin hydrochloride (MIA), has quite significant side effects on a patients’ health. Cyclodextrins, which are most commonly used to reduce the undesirable features of contained drugs within their hydrophobic interior, also have the potential to alter the toxic behavior of the drug. The present paper contains investigations and the characteristics of interaction mechanisms for MIA and the heptakis...
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The Effect of Conjugation with Octaarginine, a Cell-Penetrating Peptide on Antifungal Activity of Imidazoacridinone Derivative
PublicationAcridine cell-penetrating peptide conjugates are an extremely important family of compounds in antitumor chemotherapy. These conjugates are not so widely analysed in antimicrobial therapy, although bioactive peptides could be used as nanocarriers to smuggle antimicrobial compounds. An octaarginine conjugate of an imidazoacridinone derivative (Compound 1-R8) synthetized by us exhibited high antifungal activity against reference...
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CERVIX UTERI, Exocervix - Female, 34 - Cell image [3180630006432481]
Open Research DataThis is the histopathological image of CERVIX UTERI cell sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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CERVIX UTERI, Exocervix - Female, 28 - Cell image [5170730007439021]
Open Research DataThis is the histopathological image of CERVIX UTERI cell sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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WRF forecasting data of severe weather event in Central Europe on 11 August 2017
Open Research DataThis dataset is related to the forecasting of weather conditions in Central Europe on 11 August 2017. During that day, the severe and devastating weather phenomenon (derecho) occurred in Poland. The simulations were carried out using the Weather Research and Forecasting (WRF) model version 4.2.1 with the initial and boundary conditions from the Global...
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Computational methods for calculation of binding free energy for ligand-receptor complexes
PublicationAccurate description of the molecular complexes energetic influence is required for understanding of many biological functions carried out by proteins. Therefore, estimation of binding free energy for ligand-receptor complexes is of highest importance for structure-based ligand design and drug discovery approaches.Experimental methods of determination of difference in Gibbs'es free energy have many limitations. Thus, computational...
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Local Texture Pattern Selection for Efficient Face Recognition and Tracking
PublicationThis paper describes the research aimed at finding the optimal configuration of the face recognition algorithm based on local texture descriptors (binary and ternary patterns). Since the identification module was supposed to be a part of the face tracking system developed for interactive wearable computer, proper feature selection, allowing for real-time operation, became particularly important. Our experiments showed that it is...
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Identyfikacja osób na podstawie cech twarzyz zastosowaniem logiki rozmytej
PublicationIstnieje wiele metod identyfikacji twarzyna podstawie zdjęcia, które pomimo swoich licznych zaletcharakteryzują się tym, że prawidłowa identyfikacja zależy odpodobnego w stosunku do zdjęcia znajdującego się w baziedanych oświetlenia, pozy czy miny identyfikowanej osoby.W artykule przedstawiono sposób na usuniecie ograniczeńistniejącego programu identyfikacyjnego Mug-Match Phantomas.Scharakteryzowano również założenia do metodypozwalającej...
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PTD4 Peptide Increases Neural Viability in an In Vitro Model of Acute Ischemic Stroke
PublicationIschemic 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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Relationship between Telomere Length, TERT Genetic Variability and TERT, TP53, SP1, MYC Gene Co-Expression in the Clinicopathological Profile of Breast Cancer
PublicationThe molecular mechanisms of telomerase reverse transcriptase (TERT) upregulation in breast cancer (BC) are complex. We compared genetic variability within TERT and telomere length with the clinical data of patients with BC. Additionally, we assessed the expression of the TERT, MYC, TP53 and SP1 genes in BC patients and in BC organoids (3D cell cultures obtained from breast cancer tissues). We observed the same correlation in the...
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Multicopy Suppressor Analysis of Strains Lacking Cytoplasmic Peptidyl-Prolyl cis/trans Isomerases Identifies Three New PPIase Activities in Escherichia coli That Includes the DksA Transcription Factor
PublicationConsistent with a role in catalyzing rate-limiting step of protein folding, removal of genes encoding cytoplasmic protein folding catalysts belonging to the family of peptidyl-prolyl cis/trans isomerases (PPIs) in Escherichia coli confers conditional lethality. To address the molecular basis of the essentiality of PPIs, a multicopy suppressor approach revealed that overexpression of genes encoding chaperones (DnaK/J and GroL/S),...
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Gracjana Klein-Raina dr hab.
People -
Numeryczna analiza strat mocy w ekranach elektromagnetycznych kabli elektroenergetycznych
PublicationW pracy przedstawiono wyniki badań symulacyjnych dotyczących wpływu struktury kabli na straty mocy w ekranch oraz na skuteczność ekranowania. Obliczenia wykonano przy pomocy pakietu FLUX 2D.
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Vehicle classification based on soft computing algorithms
PublicationExperiments and results regarding vehicle type classification are presented. Three classes of vehicles are recognized: sedans, vans and trucks. The system uses a non-calibrated traffic camera, therefore no direct vehicle dimensions are used. Various vehicle descriptors are tested, including those based on vehicle mask only and those based on vehicle images. The latter ones employ Speeded Up Robust Features (SURF) and gradient images...
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Relevance of Urban Freight Transport Modelling Towards the Challenges of Urban Freight Policy
PublicationThe main objective of this paper is to investigate how recent trends in urban freight transport analysis and modelling are related to urban freight measures set out in Gdynia’s 2016 Sustainable Urban Mobility Plan. Building on the literature a review framework was defined including 1) stakeholders, 2) descriptors, 3) objectives and 4) solution approach applied in freight modelling efforts. It was clear that the implementation...
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On the peculiarities of anti-plane surface waves propagation for media with microstructured coating
PublicationWe discuss new type of surface waves which exist in elastic media with surface energy. Here we present the model of a coating made of polymeric brush. From the physical point of view the considered model of surface elasticity describes a highly anisotropic surface coating. Here the surface energy model could be treated as 2D reduced strain gradient continuum as surface strain energy depends on few second spatial derivatives of...
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Modelowanie numeryczne krzyżowego wymiennika ciepła w zastosowaniach klimatyzacyjnych
PublicationPraca przedstawia wyniki obliczeń numerycznych krzyżowego wymiennika ciepła wykorzystywanego w klimatyzacji. Zawarte są wyniki obliczeń 2D i 3D rozpatrywanego wymiennika. Obliczenia wykonano z zastosowaniem oprogramowania CFD Ansys Fluent.
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Superexcited states in the vacuum-ultraviolet photofragmentation of isoxazole molecules
PublicationThe photofragmentation of isoxazole molecules producing excited atomic and molecular fragments has been investigated over the energy range 16-50 eV, using photon-induced fluorescence spectroscopy. The following fragments have been identified by their fluorescence: the excited hydrogen atoms H(n), n = 3-7 and the diatomic CH(A2Δ, B2Σ−), CN(B2Σ+) and C2(d3Πg) fragments. The diatomic fragments are vibrationally and highly rotationally...
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Potential Energy Curves of Diatomic Alkali Molecules Datasets
PublicationThe datasets described in this article contain potential energy curves for several diatomic systems. The data was obtained via high-performance computing using MOLPRO, a system of ab initio programs for advanced molecular electronic structure calculations. The datasets allow to model bond lengths, energy levels, spectra and time-evolution of molecular dimers for which the data are presented.
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Simulation of the derecho event in Poland of 11th August 2017 using the WRF model and ERA5 data on model levels as initial conditions
Open Research DataThis series contains datasets related to the forecasting of a severe weather event, a derecho, in Poland on 11 August 2017. The simulations were conducted using the Weather Research and Forecasting (WRF) model version 4.2.1 with initial and boundary conditions from ERA5 on model levels. Simulation was performed for two starting hours: at 00:00 and 12:00...
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Simulation of the derecho event in Poland of 11th August 2017 using the WRF model and ERA5 data on pressure levels as initial conditions
Open Research DataThis series contains datasets related to the forecasting of a severe weather event, a derecho, in Poland on 11 August 2017. The simulations were conducted using the Weather Research and Forecasting (WRF) model version 4.2.1 with initial and boundary conditions from ERA5 on pressure levels. Simulation was performed for two starting hours: at 00:00 and...
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Simulation of the derecho event in Poland of 11th August 2017 using the WRF model and GFS data as initial conditions
Open Research DataThis series contains datasets related to the forecasting of a severe weather event, a derecho, in Poland on 11 August 2017. The simulations were conducted using the Weather Research and Forecasting (WRF) model version 4.2.1 with initial and boundary conditions from Global Forecast System (GFS). Simulation was performed for two starting hours: at 00:00...
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Simulation of the derecho event in Poland of 11th August 2017 using the WRF model and GDAS data as initial conditions
Open Research DataThis series contains datasets related to the forecasting of a severe weather event, a derecho, in Poland on 11 August 2017. The simulations were conducted using the Weather Research and Forecasting (WRF) model version 4.2.1 with initial and boundary conditions from Global Data Assimilation System (GDAS). Simulation was performed for two starting hours:...
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Simulation of the derecho event in Poland of 11th August 2017 using the WRF model and ECMWF data as initial conditions
Open Research DataThis series contains datasets related to the forecasting of a severe weather event, a derecho, in Poland on 11 August 2017. The simulations were conducted using the Weather Research and Forecasting (WRF) model version 4.2.1 with initial and boundary conditions from European Centre for Medium-Range Weather Forecasts (ECMWF). Simulation was performed...
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The Influence of Antitumor Unsymmetrical Bisacridines on 3D Cancer Spheroids Growth and Viability
PublicationThe culture of 3D spheroids is a promising tool in drug development and testing. Recently, we synthesized a new group of compounds, unsymmetrical bisacridines (UAs), which exhibit high cytotoxicity against various human cell lines and antitumor potency against several xenografts. Here, we describe the ability of four UAs—C-2028, C-2041, C-2045, and C-2053—to influence the growth of HCT116 and H460 spheres and the viability of HCT116...
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Obrony prac doktorskich na Wydziale Chemicznym
EventsDn. 30.06.2022 r. o godz. 12.15 w Audytorium 1.4 Wydziału Chemicznego PG (budynek nr 5) odbędzie się w trybie hybrydowym publiczna obrona pracy doktorskiej mgr inż. Jolanty Kamińskiej.
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Adhesive compliance effect in mode I separation:Profilometry approach
PublicationThe effect of adhesive compliance on the deflection of a loaded, bonded beam was studied using laser profilometry. Experimental data obtained were compared with both Euler-Bernoulli (encastré) and Winkler (one parameter elastic foundation) models. A third, analytical, 2D model, based on shear within the adhesive layer (two parameter elastic foundation), was introduced. Finite element analysis (FEA) was also used to study the effect...
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MXene-based materials for removal of antibiotics and heavy metals from wastewater– a review
PublicationAs a novel family of 2D materials, MXenes provide an extensive variety of applications in water and effluent treatment due to their distinctive properties and attractive applicability, including superior electrical conductivity, higher thermal stability, hydrophilicity, and high sorption-reduction capacity. Their excellent sorption selectivity makes them perfect for removing hazardous contaminants. Currently, MXene-based materials...
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Heat transfer during pool boiling of water, methanol and R141b on porous coated horizontal tube bundles
PublicationPrzedstawiono wyniki badań eksperymentalnych wrzenia wody, metanolu i R141b na poziomym pęczku rur pokrytych metaliczna powłoką porowatą. Badania przeprowadzono dla podziałek rur 1.7d oaz 2d, przy ciśnieniu atmosferycznym i podciśnieniu.
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Teoretyczna analiza wpływu kierunku fali detonacyjne na krzywiznę bimetalowego pasma Al-Cu w asymetrycznym procesie walcowania.
PublicationPrzedstawiono wpływ kierunku rozchodzenia się fali detonacji na wartość naprężeń uplastyczniających materiałów tworzących blachę bimetalową Al-Cu. Przy użyciu programu FORGE-2D analizowano wpływ walcowania asymetrycznego na krzywiznę walcowanego pasma.
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Comparison of sound of organ pipes in contemporary and historical instruments
PublicationThe aim of this research is to examine the differences in the timbre of organ pipes’ sound between a historical and a contemporary organ instrument. The historical instrument is the Oliwa organ from Gdansk, Poland, and the contemporary one is from Kartuzy, Poland. Recordings are made of single notes played by an open labial pipe that belongs to the Principal rank. The analyses and comparison of several sound features compatible...
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Polaronic and Mott insulating phase of layered magnetic vanadium trihalide VCl3
PublicationTwo-dimensional (2D) van der Waals (vdW) magnetic 3d-transition metal trihalides are a new class of functional materials showing exotic physical properties useful for spintronic and memory storage applications. In this article, we report the synthesis and electromagnetic characterization of single-crystalline vanadium trichloride, VCl 3 , a novel 2D layered vdW Mott insulator, which has a rhombohedral structure (R3, No. 148) at...
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Long-distance quantum communication over noisy networks without long-time quantum memory
PublicationThe problem of sharing entanglement over large distances is crucial for implementations of quantum cryptography. A possible scheme for long-distance entanglement sharing and quantum communication exploits networks whose nodes share Einstein-Podolsky-Rosen (EPR) pairs. In Perseguers et al. [Phys. Rev. A 78, 062324 (2008)] the authors put forward an important isomorphism between storing quantum information in a dimension D and transmission...
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Drilling couples and refined constitutive equations in the resultant geometrically non-linear theory of elastic shells
PublicationIt is well known that distribution of displacements through the shell thickness is non-linear, in general. We introduce a modified polar decomposition of shell deformation gradient and a vector of deviation from the linear displacement distribution. When strains are assumed to be small, this allows one to propose an explicit definition of the drilling couples which is proportional to tangential components of the deviation vector....
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The influence of intermolecular correlations on the infrared spectrum of liquid dimethyl sulfoxide
PublicationDimethyl sulfoxide (DMSO) is routinely applied as an excellent, water-miscible solvent and chemical reagent. Some of the most important data concerning its liquid structure were obtained using infrared (IR) spectroscopy. However, the actual extent of intermolecular correlations that connect the isolated monomer spectrum to the IR response of the bulk liquid is poorly studied thus far. Using ab initio molecular dynamics (AIMD) simulations,...
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Xi bao yu fen zi mian yi xue za zhi = Chinese journal of cellular and molecular immunology
Journals -
On unique kinematics for the branching shells
PublicationWe construct the unique two-dimensional (2D) kinematics which is work-conjugate to the exact, resultant local equilibrium conditions of the non-linear theory of branching shells. Several types of junctions are described. For each type the explicit form of the principle of virtual work is derived.
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BASECOL2023 scientific content
PublicationContext. The global context of making numerous data produced by researchers available requires collecting and organising the data, assigning meaningful metadata, and presenting the data in a meaningful and homogeneous way. The BASECOL database, which collects inelastic rate coefficients for application to the interstellar medium and to circumstellar and cometary atmospheres, meets those requirements. Aims. We aim to present the...
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Wykorzystanie analizy falkowej do odszumiania oraz kompresji sygnałów
Publicationw pierwszej części referatu przedstawiono informacje teoretyczne dotyczące analizy falkowej. szczegółowo omówione zostały cwt, dwt oraz pakiety falkowe. druga część referatu to zastosowanie praktyczne falek do poprawy jakości oraz kompresji sygnałów 1d oraz 2d.
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Towards mechanosynthesis of diamondoid structures: iv. The strategy for preliminary implementation of elenbogen's ''mater as software'' concept
PublicationOpublikowana wcześniej (Molecular Electronics and Molecular Electronic Devices, Vol. 1, Chap. 2, CRC Press, Inc. 1993, pp. 31-83) strategia budowy molekularnych urządzeń ulektronicznych w oparciu o polisilany jest rozszerzona w kierunku koncepcji Ellenbogena ''mater as software'' poprzez rozważenie użycia zamkniętej jednościennej nanorórki jako ostrza STM w celu umożliwienia manipulacji cząsteczkami sililenu.
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Bartosz Rybacki
PeopleA scientist, engineer, graduate of molecular biotechnology, R&D of the Stardust project, coordinator of the AMBER rocket project, member of the Polish Astrobiological Society, Polish Rocketry Association, Innspace Team and PTAstrobio Working Group. Employee of the Blirt S.A.. Ad Astra!
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Resolving Conflicts in Object Tracking in Video Stream Employing Key Point Matching
PublicationA novel approach to resolving ambiguous situations in object tracking in video streams is presented. The proposed method combines standard tracking technique employing Kalman filters with global feature matching method. Object detection is performed using a background subtraction algorithm, then Kalman filters are used for object tracking. At the same time, SURF key points are detected only in image sections identified as moving...
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Comparison of Lithuanian and Polish Consonant Phonemes Based on Acoustic Analysis – Preliminary Results
PublicationThe goal of this research is to find a set of acoustic parameters that are related to differences between Polish and Lithuanian language consonants. In order to identify these differences, an acoustic analysis is performed, and the phoneme sounds are described as the vectors of acoustic parameters. Parameters known from the speech domain as well as those from the music information retrieval area are employed. These parameters are...
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A dipole-driven path for electron and positron attachments to gas-phase uracil and pyrimidine molecules: a quantum scattering analysis
PublicationElectron and positron scattering processes in the gas-phase are analysed for uracil and pyrimidine molecules using a multichannel quantum approach at energies close to threshold. The special effects on the scattering dynamics induced by the large dipole moments in both molecules on the spatial features of the continuum leptonic wavefunctions are here linked to the possible bound states of the Rydberg-like molecular anions or ‘positroned’...
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A new assay based on terminal restriction fragment length polymorphism of homocitrate synthase gene fragments for Candida species identification
PublicationCandida sp. have been responsible for an increasing number of infections, especially in patients with immunodeficiency. Species specific differentiation of the Candida sp. is difficult in routine diagnosis. This identification can have a highly significant association in therapy and prophylaxis. This work has shown a new application of terminal restriction fragment length polymorphism (t-RFLP) method in molecular identification...
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Molecularly targeted nanoparticles: an emerging tool for evaluation of expression of the receptor for advanced glycation end products in a murine model of peripheral artery disease
PublicationAbstract Background: Molecular imaging with molecularly targeted probes is a powerful tool for studying the spatio-temporal interactions between complex biological processes. The pivotal role of the receptor for advanced glycation end products (RAGE) in numerous pathological processes, aroused the demand for RAGE targeted imaging in various diseases. In the study, we evaluated the use of a diagnostic imaging agent for RAGE quantification...