Search results for: In silico
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Zagospodarowanie proszku krzemowego, wytworzonego z odzyskanych w procesie recyklingu uszkodzonych ogniw modułów fotowoltaicznych = Utilization of silicon powder, recovered in the PV cell's production and recycling processes
PublicationW artykule przedstawiono wyniki analizy proszku krzemowego różnego pochodzenia i wskazano możliwości technologiczne zagospodarowania proszku krzemowego: jako podstawowego surowca do produkcji nowych ogniw fotowoltaicznych, jako dodatku do stali stopowych, poprawiających ich własności mechaniczne (twardość, wytrzymałość na rozciąganie, udarność) oraz jako materiału do wytwarzania ceramiki, bazującej na proszkach niemetali.
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Electrical responses of Graphene-Silicon Schottky diodes toward nitrogen dioxide and tetrahydrofuran under irradiation
Open Research DataGraphene-Silicon Schottky junctions were utilized as gas sensors toward inorganic (nitrogen dioxide) and organic (tetrahydrofuran) gas qualitative and quantitative detection. The electrical responses of the sensors were collected in the form of current-voltage characteristics and measurements of current in time domain for a selected voltage bias. The...
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The AFM micrographs of vanadium oxides thin films deposited on silicon - the influence of the thickness of the film on morphology
Open Research DataThe DataSet contains the atomic force microscope images of the surface of vanadium oxide thin films. The thin films were obtained by the sol-gel method. The information about sol synthesis is described in the Journal of Nanomaterials. The thin films with different thicknesses (1, 2 or 3 AsP layers) were deposited on a silicon substrate and were annealing...
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Chemical treatment of crystalline silicon solar cells as a main stage of pv modules recycling = Obróbka chemiczna krzemowych ogniw słonecznych jako najważniejszy etap w recyklingu modułów fotowoltaicznych
PublicationIn recent years, photovoltaic systems have gained worldwide recognition and popularity as a environmentally friendly way of solving energetic problems. However, a problem of utilizing worn out photovoltaic systems, amount of which will rapidly increase in the future, is yet to be solved. Establishing a technology of recycling and reusing obsolete photovoltaic panels is a necessity.Photovoltaic modules in crystalline silicon solar...
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Obróbka chemiczna krzemowych ogniw słonecznych jako najważniejszy etap w recyklingu modułów fotowoltaicznych = Chemical treatment of the crystalline silicon solar cells as the main stage of PV modules recycling
PublicationZaproponowano metodę zagospodarowania krzemowych ogniw fotowoltaicznych, wycofanych z użycia. Dla ogniw PV z krystalicznego krzemu prowadzono następujące po sobie procesy usuwania: powłok metalicznych, warstwy antyrefleksyjnej i złącza n-p przez wytrawianie. Skład roztworów trawiących dostosowywano do różnych rodzajów ogniw krzemowych. W celu opracowania uniwersalnej kąpieli trawiącej konieczne jest wprowadzanie pewnych modyfikacji...
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Toward Mechanosynthesis of diamondoid structures: III. Quantum-chemical study of silylene molecule and silicon atom transfer mechanism from caped SWCNT tip to the reaction center on a hydrogenated Si(111) surface
PublicationOpublikowana wcześniej (Modelling Simul. Mater. Sci. Eng., Vol. 7, 1999, pp. 43-58) strategia mechanosyntezy struktur krzemu na uwodornionej płaszczyźnie Si(111) została poszerzona poprzez uwzględnienie ostrza w postaci zamkniętej SWCNT jako urządzenia kontrolującego położenie cząsteczki sililenu oraz atomu krzemu.
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SEM-EDS images of expanded polystyrene spheres coated with silicon dioxide (SiO2) and/or titanium dioxide (TiO2)
Open Research DataData contain SEM and SEM-EDS images of expanded polystyrene spheres coated with silicon dioxide (SiO2) and/or titanium dioxide (TiO2). The detailed equipment and measurement data was described in measurement info.txt file.
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Structure evolution of V2O5 thin films deposited on silicon substrate - High-Temperature X-ray Diffraction
Open Research DataThe DataSet contains the XRD patterns of V2O5 thin films deposited on silicon substrates (111). The thin films were obtained by the sol-gel method. The information about sol synthesis is described in the Journal of Nanomaterials. The sol was deposited on the silicon substrate. The structure was measured in-situ during heating between 50-800°C under...
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Electrical and noise responses of Graphene-Silicon Schottky diodes decorated with Au nanoparticles for light-enhanced sensing of organic gases
Open Research DataGraphene-Silicon Schottky junctions decorated with Au nanoparticles were used for light-enhanced detection of organic tetrahydrofuran and chloroform. Au nanoparticles exhibited localized surface plasmon resonance (LSPR) in the range of yellow light; thus yellow LED (wavelength of 592 nm) was utilized to induce the plasmonic effect, that increased the...
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Propeller-Like Chirality of Methyl-Tris (2,6-diisopropylphenoxy)Silylsulfide
PublicationTwo new methylsilylsulfides are synthesized. Propeller-like chirality is described for triaryloxysilanethiol and its methyl derivative. S-methylation of the silanethiol lowers the overall symmetry of the unit cell.
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Brunauer-Emmett-Teller (BET) surface analysis of titanium dioxide (TiO2) and silicon dioxide (SiO2) used for coating of expanded polystyrene spheres (EPS)
Open Research DataData refer to the results of BET surface area of TiO2 and SiO2 powders used for coating of expanded polystyrene spheres. The detailed measurement and equipment data was described in readme BET.txt file.TiO2 was treated firstly in autoclave at 150 C degrees for 1h, then was further heat treated in Ar at 400 C degrees. As a raw material TiO2 was used,...
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Calibration of permeation passive samplers with silicone membranes based onphysicochemical properties of the analytes. Anal. Chem.**2003 dostępny z Internetu http://pubs3.acs.org/acs/journals/, s. A-K, 6 rys. 7 tab. bib- liogr. 17 poz. Kalibracja permeacyjnych dozymetrów pasywnych z membraną silikonową w opar- ciu o fizykochemiczne właściwości analitów.
PublicationW pracy opisano sposób kalibracji pasywnych dozymetrów permeacyjnych, wyko-rzystywanych w badaniach powietrza w oparciu o własności fizykochemiczneanalitów. Stwierdzono silną zależność pomiędzy stałą kalibracyjną (K) dozy-metrów i liczbą atomów węgla w cząsteczce analitu (w obrębie danej grupyzwiązków chemicznych) dla alkoholi, alifatycznych i aromatycznych węglowodo-rów oraz estrów. Taka zależność występuje również pomiędzy...
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A Novel [4+2] Cycloaddition Reaction Involving Lawesson’s Reagent. Structure and Specific Fragmentations of a New Cyclic 1,2-Thiaphosphinane-4-one
PublicationA crude morpholine enamine of acetone treated with Lawesson’s reagent unexpectedly yielded a six-membered thiaphosphinane-4-one. This compound is the first example of a new class of heterocycles. It has been proven that it is formed from 4-methyl-2-morpholino-1,3-pentadiene which is usually present in crude morpholine enamine batches. A mechanism of this regioselective reaction was postulated and a characteristic chair-like conformation...
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Synthesis of some optically active terpenoid-derived thioamides
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Synthesis and structural characterization of new cyclic siloxane with functionalized organic substituents
PublicationOcta(2-pyridyloxy)cyclotetrasiloxane was isolated as the product of the reaction between silicon disulfide and 2-hydroxypyridine. The new compound has been characterised by single crystal X-ray analysis, revealing a planar eight-membered ring with functionalized organic substituents on the silicon atoms.
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Synthesis and Properties of Di-isopropylamino Derivatives of Diphosphanes and Triphosphanes: The X-Ray Structure of (iPr2N)2P-P(SiMe3)2
PublicationPrzeprowadzono reakcję (iPr2N)2PCl z P(SiMe3)2Li w wyniku której otrzymano difosfan (iPr2N)2P-P(SiMe3)2. Strukturę związku określono przy pomocy rentgenowskiej analizy strukturalnej. Otrzymano także pochodną litową (iPr2N)2P-P(SiMe3)Li w rekcji z nBuLi. W reakcji (iPr2N)2PCl z (iPr2N)2P-P(SiMe3)Li otrzymano trifosfan (iPr2N)2P-P(SiMe3)-P(NiPr2)2 z dużą wydajnością. Próby otrzymania pochodnej litowej (iPr2N)2P-PLi-P(NiPr2)2 zakończyły...
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Potassium Tri-tert-butoxysilanethiolates: Synthesis, Properties, and Crystal and Molecular Structures of [(tBuO)3SiSK]6[THF]2·2THF, {[(tBuO)3SiS]2K2}n, and [(tBuO)3SiSK]4[H2O]4·C6H6
PublicationW reakcji tri-tert-butoksysilanotiolu z potasem otrzymano trzy nowe związki:[(tBuO)3SiSK]6[THF]2·2THF, {[(tBuO)3SiS]2K2}n, i[(tBuO)3SiSK]4[H2O]4·C6H6. Stanowią one dogodne substraty w syntezach kompleksów silanotiolanowych metali przejściowych. Charakteryzują się one również różnorodnością tworzonych układów. Rentgenowska analiza strukturalna wykazała, iż tworzą one trzy typy makrocząsteczkowych układów, w których...
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Calculation of the standard potentials of the dithiocarbamate/thiuram disulfide redox system via thermochemical cycles and computational electrochemistry .
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The reactions of dialkyl phosphites and phosphine oxides with iodosylbenzene
PublicationThe reaction of iodosylbenzene with >P(O)H type of acids (dialkyl phosphites, secondary phosphine oxides) was studied. The acids of >P(O)H type add to iodosylbenzene to yield intermediate 6 which in the aprotic solvents yields oxidation products, it means >P(O)OH acids and/or anhydride of >P(O)OP(O)< type. On the other hand if the reaction is performed in alcohol as a solvent in the presence of sodium alcoholate >P(O)OR ester is...
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May dithiophosphoric acid participate in the set process?
PublicationZastosowano otrzymane S-tioacyloditiofosforany jako odczynniki tioacylujące do syntezy kwasów tiohydroksamowych. Dla większości N-alkilohydroksyloamin produktem tej reakcji były żądane kwasy tiohydroksamowe. Natomiast gdy substratem jest hydroksyloamina zawierająca duży objętościowo podstawnik na atomie azotu lub gdy posiada dwa podstawniki na atomie azotu w reakcji tej tworzą się wyłącznie odpowiednie O-tioacylohydroksyloaminy....
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N-(diphenoxyphosphoryl)succinimide:synthesis and reaction with alkoxides
PublicationReakcja sukcynoimidu z chlorkiem difenylofosforowym w obecności lda a prowadzi do powstania amidofosforanu. ta sama reakcja prowadzona w obecności wodorku sodu pozwala na otrzymanie fosforylowanego sukcynoimidu, który w reakcji z alkoholanami w nasteptwie otwarcia pierścienia, prowadzi do do analogów amidofosforanu z dobrymi wydajnościami.
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Simple method for preparation of Dialkyl (2,3-dihydro-1,3-thiazol-2-yl)-phosphonates
PublicationAbstract A simple synthesis of dialkyl (2,3-dihydro-1,3-thiazol-2-yl)-phosphonates from thiazoliumsalts and trialkyl phosphites is described. The series of dialkyl (2,3-dihydro-1,3-thiazol-2-yl)-phosphonates with various substituents in positions 3, 4, and 5 of the thiazole ring wereprepared. However, only phosphonates with an aryl on the nitrogen atom were stable enoughfor chromatographic purification, although all the new phosphonates...
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Efficient Selenenylation of Malonates Using Bis(phosphorothioyl) Diselenide
PublicationBis(O,O-diisopropoxyphosphinothioyl) diselenide reacts readily and quickly with the sodium salt of malonates to give quantitatively stable sodium 2-(O,O-diisopropyl phosphorothioselenenyl)propanedioates. No traces of the corresponding C,C-diselenenylation products were detected. A standard aqueous workup procedure affords the products, albeit in poor yield (about 45%). It was proved that the reaction is reversible due to the presence...
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The organophosphorus sulfenyl bromides as versatile reagents for cysteine derivatives functionalization by unsymmetrical disulfide bond formation
PublicationWe have developed a convenient method for the synthesis of L-cysteine unsymmetrical disulfides under mild conditions with good to excellent yields. Described method is based on the straightforward preparation of the organophosphorus sulfenyl bromide readily available from bis-(5,5-dimethyl-2-thiono-1,3,2-dioxaphosphorinanyl) disulfide. The unsymmetrical disulfides can be obtained for L-cysteine derivatives and thiols bearing neutral...
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A convenient method for the preparation of functionalized N-acylsulfenamides from primary amides.
PublicationWe have developed a convenient method for the synthesis of functionalized N-acylsulfenamides under mild conditions and in moderate to good yields. The designed method is based on the reaction of (5,5-dimethyl-2-thioxo-1,3,2-dioxaphosphorinan-2-yl)-disulfanyl derivatives with nitrogen nucleophiles generated from primary amides or imides and sodium hydride. The developed method allows for the preparation of N-acylsulfenamides bearing...
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ProjectsProject realized in Faculty of Chemistry according to Homing Plus/2012-6/16 agreement from 2013-05-22
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Jarosław Chojnacki prof. dr hab. inż.
PeopleBorn in 1961 in Bydgoszcz, professional education started at the Chemical Technical Highschool (I. Łukasiewicz). He graduated from the Faculty of Chemistry at the Gdańsk University of Technology in 1986, defending the work on ion-selective electrodes. Subsequent studies were related to organic and siliconorganic synthesis and, from 2002 year on, to crystallography. The doctoral thesis concerned the Silanotiolanes of coinage metals...
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Aravind Ayyolath
PeopleI am interested in the biology of bacterial stress response and its growth under stress conditions. Our lab focuses on two aspects; protein folding and lipopolysaccharide biosynthesis and we address them with Escherichia coli models. Our recent studies have provided more evidence regarding several genes involved in the survival of bacteria under stress. I am also interested in disease biology and also in identifying proper therapeutic...
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Consequences of New Approach of Chemical Stability Tests of Active Pharmaceutical Ingredients (APIs)
PublicationThere is a great need of broaden look on stability tests of active pharmaceuticalingredients (APIs) in comparison with current requirements contained in pharmacopeia.By usage of many modern analytical methods the conception of monitoring the changesof APIs during initial stage of their exposure to harmful factors has been developed. Newknowledge must be acquired in terms of identification of each degradation...
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Novel molecules containing structural features of NSAIDs and 1,2,3-triazole ring: Design, synthesis and evaluation as potential cytotoxic agents
PublicationFor the first time the template containing structural features of more than one NSAIDs and the 1,2,3-triazole ring was explored for the identification of potential cytotoxic agents. These new and complex molecules were predicted to be effective inhibitors of PDE4B by molecular modelling studies in silico. The multi-step synthesis of these compounds were carried out starting from the well-known drug nimesulide and involved the use...
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Design, synthesis, and molecular docking of new 5-HT reuptake inhibitors based on modified 1,2-dihydrocyclopenta[b] indol-3(4H)-one scaffold
PublicationA new group of serotonin reuptake inhibitors containing 1,2-dihydrocyclopenta[b]indol-3(4H)-one scaffoldwas synthesized, starting from indole 5-((1H-indol-3-yl)(1,3-dioxane-4,6-diones as a key intermediates. Following three transformations including intramolecular cyclization and formation of imines, a series of new ligand for human serotonin transporter was obtained. The ability of these ligands to inhibit human TS3 serotonin transporter...
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Hanna Staroszczyk dr hab. inż.
PeopleAbsolwentka Wydziału Inżynierii i Technologii Chemicznej Politechniki Krakowskiej, od 2007 roku pracuje w Katedrze Chemii, Technologii i Biotechnologii Żywności Wydziału Chemicznego Politechniki Gdańskiej. Pracowała w Politechnice Krakowskiej, Akademii Rolniczej w Krakowie, Institute of Food Research w Norwich, Academia Sinica w Tajpej oraz University of Arkansas w Fayetteville. W 2013 roku uzyskała stopień doktora habilitowanego...
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New Approaches for Escherichia coli Genotyping
PublicationEasy-to-perform, fast, and inexpensive methods of differentiation of Escherichia coli strains beyond the species level are highly required. Herein two new, original tools for genotyping of E. coli isolates are proposed. The first of the developed method, a PCR-RFLP (polymerase chain reaction-restriction fragment length polymorphism) test uses a highly variable fliC gene, encoding the H antigen as a molecular target. The designing...
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Chiral Pyrazolo[4,3-e][1,2,4]triazine Sulfonamides—Their Biological Activity, Lipophilicity, Protein Affinity, and Metabolic Transformations
PublicationReferring to our previous laboratory results related to the tyrosinase and urease inhibition by pyrazolo[4,3-e][1,2,4]triazine sulfonamides, we examined here in silico the mechanism of action at the molecular level of the investigated pyrazolotriazine sulfonamides by the molecular docking method. The studied compounds being evaluated for their cytotoxic effect against cancer cell lines (MCF-7, K-562) and for recombinant Abl and...
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The Quaternization Reaction of 5-O-Sulfonates of Methyl 2,3-o-Isopropylidene-β-D-Ribofuranoside with Selected Heterocyclic and Aliphatic Amines
PublicationThe synthesis of N-((methyl 5-deoxy-2,3-O-isopropylidene-β-D-ribofuranoside)-5-yl) ammonium salts are presented. To determine the effect of the nucleophile type and outgoing group on the quaternization reaction, selected aliphatic and heterocyclic aromatic amines reacted with: methyl 2,3-O-isopropylidene-5-O-tosyl-β-D-ribofuranoside or methyl 2,3-O-isopropylidene-5-O-mesyl-β-D -ribofuranoside or methyl 2,3-O-isopropylidene-5-O-triflyl-β-D-ribofuranoside...
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An annotated timeline of sensitivity analysis
PublicationThe last half a century has seen spectacular progresses in computing and modelling in a variety of fields, applications, and methodologies. Over the same period, a cross-disciplinary field known as sensitivity analysis has been making its first steps, evolving from the design of experiments for laboratory or field studies, also called ‘in-vivo’, to the so-called experiments ‘in-silico’. Some disciplines were quick to realize the...
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Temperature-dependent structure-property modeling of viscosity for ionic liquids
PublicationIn this paper we present the methodology for assessing the ionic liquids' viscosity at six temperature points (25, 35, 45, 50, 60 and 70 [C]), which utilizes only the in silico approach. The main idea of such assessment is based on the "correction equation" describing the correlation between experimentally measured viscosity and theoretically derived density (calculated with use of molecular mechanics), given at 6 different temperature...
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Development of Sulfamoylated 4‑(1-Phenyl‑1H‑1,2,3-triazol-4-yl)phenol Derivatives as Potent Steroid Sulfatase Inhibitors for Efficient Treatment of Breast Cancer
PublicationWe present here the advances achieved in the development of new sulfamoylated 4-(1-phenyl-1H-1,2,3-triazol-4-yl)phenol derivatives as potent steroid sulfatase (STS) inhibitors for the treatment of breast cancer. Prompted by promising biological results and in silico analysis, the initial series of similar compounds were extended, appending a variety of m-substituents at the outer phenyl ring. The inhibition profiles of the newly...
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Modified Peptide Molecules As Potential Modulators of Shelterin Protein Functions; TRF1
PublicationIn 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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Novel fused pyran derivatives induce apoptosis and target cell cycle progression in anticancer efficacy against multiple cell lines.
PublicationNitrogen-based heterocycles such as pyrazole, imidazole, 1,2,4-triazole, benzimidazole, and benzotriazole substituted fused pyran derivatives (6a–e, 8a–e, 10a–e, 12a–e,&14a–e) have been synthesized and tested for their in vitro anticancer efficacies against MCF7, A549, and HCT116 cancer cell lines. Among the compounds, 6e, 14b, and 8c were identified as the most potent against MCF7, A549, and HCT116, with IC50 values of 12.46 2.72...
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Paweł Filipkowski dr inż.
PeoplePaweł Filipkowski Ph.D. Biotechnology Department of Chemistry, Technology and Biotechnology of Food Faculty of Chemistry Gdansk University of Technology Narutowicza 11/12 80-233 Gdansk, Poland Tel: +48 58 3472456 e-mail: pawel.filipkowskiATpg.edu.pl Current position: Assistant Professor/Senior Lecturer*(from Jan.2019) of Biotechnology, Department of Chemistry, Technology and Biotechnology of Food, Gdansk University of Technology. Education: Eng....
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Evaluation and cellular responses of modulators of TRF1/TRF2 protein’s function as potential anticancer drugs interfering with telomeric shelterin’s function
PublicationA number of proteins that interact with telomeres have been identified in human cells, indicating the high plasticity of human nucleoprotein complex organization. The most important complex is the "shelterin" complex, which consists of six proteins: TRF1, TRF2, TIN2, POT1, TPP1. The TRF1 and TRF2 directly bind to telomeric double-stranded DNA and the TIN2 protein. The TIN2 protein also binds to the TPP1 protein, stabilizing the...
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Quinoline-based thiazolyl-hydrazones target cancer cells through autophagy inhibition
PublicationHeterocyclic pharmacophores such as thiazole and quinoline rings have a significant role in medicinal chemistry. They are considered privileged structures since they constitute several Food and Drug Administration (FDA)-approved drugs for cancer treatment. Herein, we report the synthesis, in silico evaluation of the ADMET profiles, and in vitro investigation of the anticancer activity of a series of novel thiazolyl-hydrazones based...
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COVID‐19: A systematic review and update on prevention, diagnosis, and treatment
PublicationSince the rapid onset of the COVID-19 or SARS-CoV-2 pandemic in the world in 2019, extensive studies have been conducted to unveil the behavior and emission pattern of the virus in order to determine the best ways to diagnosis of virus and thereof formulate effective drugs or vaccines to combat the disease. The emergence of novel diagnostic and therapeutic techniques considering the multiplicity of reports from one side and contradictions...
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Biochemical, Structural Analysis, and Docking Studies of Spiropyrazoline Derivatives
PublicationIn this study, we evaluated the antiproliferative potential, DNA damage, crystal struc‐ tures, and docking calculation of two spiropyrazoline derivatives. The main focus of the research was to evaluate the antiproliferative potential of synthesized compounds towards eight cancer cell lines. Compound I demonstrated promising antiproliferative properties, especially toward the HL60 cell line, for which IC50 was equal to 9.4 μM/L....
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Determination of long-chain aldehydes using a novel quartz crystal microbalance sensor based on a biomimetic peptide
PublicationThere is an increasingly popular trend aimed at improvement of fundamental metrological parameters of sensors via implementation of materials mimicking biological olfactory systems. This study presents investigation on usefulness of the peptide mimicking HarmOBP7 region as a receptor element of the piezoelectric sensor for selective analysis of long-chain aldehydes. Identification of odorant binding proteins creates new possibilities...
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A review on computer‐aided chemogenomics and drug repositioning for rational COVID ‐19 drug discovery
PublicationApplication of materials capable of energy harvesting to increase the efficiency and environmental adaptability is sometimes reflected in the ability of discovery of some traces in an environment―either experimentally or computationally―to enlarge practical application window. The emergence of computational methods, particularly computer-aided drug discovery (CADD), provides ample opportunities for the rapid discovery and development...
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Amberlyst-15 catalysed synthesis of novel indole derivatives under ultrasound irradiation: Their evaluation as serotonin 5‑HT2C receptor agonists
PublicationA series of indole based novel Schiff bases was designed as potential agonists of 5‑HT2C receptor that was supported by docking studies in silico. These compounds were synthesized via Amberlyst-15 catalysed condensation of an appropriate pyrazole based primary amine with the corresponding indole-3-aldehyde under ultrasound irradiation at ambient temperature. A number of target Schiff bases were obtained...
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Targeting Spike‐ACE2 Interface of SARS‐CoV‐2 and its Omicron Variant: A Comparative Screening of Potential Inhibitors for Existing and Anticipating Variants Using Molecular Modelling Approach
PublicationThe recent COVID pandemic has shown major impact on public health and economic crisis. Despite the development of many vaccines and drugs against the severe acute respiratory syndrome (SARS) coronavirus 2, the pandemic still persists. The continued spread of the virus is largely driven by the emergence of viral variants such as α, β, γ, delta, epsilon spike, omicron and its subvariants (BA.1,2,3) which can evade the current vaccines...
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A Highly Selective Biosensor Based on Peptide Directly Derived from the HarmOBP7 Aldehyde Binding Site
PublicationThis paper presents the results of research on determining the optimal length of a peptide chain to eectively bind octanal molecules. Peptides that map the aldehyde binding site in HarmOBP7 were immobilized on piezoelectric transducers. Based on computational studies, four Odorant Binding Protein-derived Peptides (OBPPs) with dierent sequences were selected. Molecular modelling results of ligand docking with selected peptides were...