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Creation of Hydrogen Bonded 1D Networks by Cocrystallization of N,N`-bis(2-pyridyl) aryldiamines with Dicarboxylic Acids.Tworzenie 1D sieci krystalicznych poprzez kokrystalizację N,N` -bis(2-piry- dylo) arylodiamin z kwasami dikarboksylowymi.
PublicationZsyntetyzowano szereg N,N`-bis(2-pirydylo) arylodiamin, a następnie otrzymano serię kompleksów w/w amin z kwasami dikarboksylowymi oraz kwasem kwadratowym w postaci monokryształów. Jednostki N,N`-bis(2-pirydylo) arylodiamin i kwasy dikarboksylowe oddziaływują ze sobą poprzez wiązania wodorowe tworząc ośmioczłonowy cykliczny układ. W kompleksach 1:1 cząsteczki układają się w jedno-wymiarową sieć krystaliczną tworzoną przy udziale...
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Chromogenic Azocrown Ethers with Peripheral Alkyl, Alkoxy, Hydroxyl or Di-methylamino Group.
PublicationOtrzymano nowe pochodne azobenzenowych eterów koronowych. Są to związki z grupą alkilową, alkoksylową, hydroksylową lub dimetyloaminową w reszcie (resztach) aromatycznej jako boczny podstawnik. Badano ich właściwości jako jonoforów w membranowych elektrodach jonoselektywnych oraz właściwości chromo-jonoforowe w roztworach. Badano kompleksowanie jonów metali, w acetonitrylu,przez te korony, metodą spektrofotometryczną. Badano...
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Measurements of absolute total cross sections for electron scattering fromtriatomic polar molecules: SO2 and H2S.
PublicationZmierzono całkowity przekrój czynny na rozproszenie elektronów na SO2 i H2S.Pomiary przeprowadzono na zmodyfikowanym spektrometrze elektronów pracującym w oparciu o metodę transmisyjną.
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Characterization of Small Azocrown Ether Stereoisomers.
PublicationWyizolowano i zbadano metodą X-ray, 1H NMR i UV-Vis trwałe izomery E i Z 10-członowej azokorony. Ich struktura w stanie stałym świadczy o naprężonej konformacji w przypadku izomeru trans i nie naprężonej dla izomeru cis. Jest to efektem sprzężenia p grupy azowej z benzenem i naprężenia sterycznego konformacji cząsteczki.
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Relativistic theory of photoionization of one electron systems: an eigen channel R-matrix approach.
PublicationPrzedstawiono zastosowanie metody kanałów własnych R-macierzy do opisu procesu fotojonizacji relatywistycznych układów jednoelektronowych.
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Relation ship between electron scattering grand total and ionization totalcross section.
PublicationZaproponowano funkcję wiążącą całkowity przekrój czynny i jonizacyjny przekrój czynny na rozpraszanie elektronów na prostych drobinach węglowodorowych i perfluorowanych. Posługując się znalezioną relacją wyznaczono przekroje czynne dla kilku związków fluoru i wodoru.
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Dion desorption from condensed CD4, C2D2, C2D4, C2D6 ans C2D8 moleculesinduced by electron impact. Radiation.
PublicationZmierzono wydajność desorpcji jonu D-z deuteryzowanych węglowodorów. Desorpcja jest stymulowana wiązką elektronów w zakresie energii od 0 do 20 eV.
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On the joint time-frequency characteristics of chemical oscillations
PublicationZaprezentowano rezultaty analizy czasowo-częstotliwościowej rejestrów potencjałowych oscylacyjnej reakcji Biełousowa-Żabotyńskiego (BŻ). Wybraną reprezentację czasowo-częstotliwościową w postaci algorytmu STFT zastosowano do analizy typowych przebiegów reakcji BŻ, prowadzonej w układzie zamkniętym. Zaprezentowano spektrogramy STFT ukazujące czasowo-częstotliwościową strukturę oscylacji regularnych, mieszanych i chaotycznych. Na...
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A novel nucleotide found in human erythrocytes, 4-pyridone-3-carboxamide-1-beta-D-ribonucleoside triphosphate
PublicationZidentyfikowano nowy, nieznany nukleotyd, występujący w erytrocytach osób chorych na przewlekłą niewydolność nerek, w stężeniu porównywalnym do zawartości ATP. Nukleotyd ten wyizolowano chromatograficznie, a jego strukturę określono jako trójfosforan 4-piridono-3-karboksyamido-1-b-D-rybonukleozydu, na podstawie danych spektralnych UV, MS, IR i NMR.
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Sensitive method for determination of benzoic acid in beverages and food samples using air–assisted hydrophobic deep eutectic solvent-based dispersive liquid-liquid microextraction
PublicationA simple, reliable and rapid air–assisted hydrophobic deep eutectic solvent-based dispersive liquid–liquid microextraction (AA-HDES-DLLME) was developed for analysis of benzoic acid in various beverages and food samples. The final determination stage was performed via UV–visible spectrophotometry. The key parameters (extraction time, HDES type and volume, dispersant volume, pH and sample volume) of the AA-HDES-DLLME method were...
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Validation of dynamic electrochemical impedance spectrograms using autocorrelation function
PublicationValidation of impedance data is essential for checking the reliability of experimental data. Kramers – Kronig transformation is used to verify data obtained from classical Electrochemical Impedance Spectroscopy (EIS) measurements. Data obtained from Dynamic Electrochemical Impedance Spectroscopy (DEIS) could be validated in the same way, but in this case, there is no information about internal consistency between every single spectrum...
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Screening stability, thermochemistry, and chemical kinetics of 3-hydroxybutanoic acid as a bifunctional biodiesel additive
PublicationThe thermo-kinetic aspects of 3-hydroxybutyric acid (3-HBA) pyrolysis in the gas phase were investigated using density functional theory (DFT), specifically the M06-2X theoretical level in conjunction with the cc-pVTZ basis set. The obtained data were compared with benchmark CBS-QB3 results. The degradation mechanism was divided into 16 pathways, comprising 6 complex fissions and 10 barrierless reactions. Energy profiles were calculated...
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Influence of iron content on water uptake and charge transport in BaCe0.6Zr0.2Y0.2−xFexO3−δ triple-conducting oxides
PublicationIn this work, we studied the BaCe0.6Zr0.2Y0.2−xFexO3−δ system which belongs to the triple-conducting oxides (TCOs) group. The electrochemical properties of BaCe0.6Zr0.2Y0.2−xFexO3−δ were investigated using electrochemical impedance spectroscopy (EIS) and the water uptake was analyzed using thermogravimetry (TG). All investigated materials exhibited water uptake, with proton concentration increasing with decreasing iron content....
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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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Studies on intercorrelation between ions co-occurring in precipitation in the Gdańsk-Sopot-Gdynia Tricity (Poland)
PublicationPrzedstawiono wyniki badań próbek opadów deszczowych zebranych na terenie Trójmiasta w okresie 12 miesięcy (na 10 stacjach pobierania próbek). Wyniki oznaczeń zawartości jonów SO4-2, F-, Cl-, NO3-, PO4-3, NH4+, Na+, Mg+2, Ca+2K+ poddano analizie statystycznej. Wyniki pomiarów skorelowano z danymi dotyczącymi kierunków wiatrów i temperatury powietrza atmosferycznego.
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Rhodotorulic Acid and its Derivatives: Synthesis, Properties, and Applications
PublicationSiderophores are low molecular weight compounds produced by microorganisms to scavenge iron in iron-deficient environments. Rhodotorulic acid (RA), a natural hydroxamate siderophore, plays a vital role in iron acquisition for fungi and bacteria. As the simplest natural hydroxamate siderophore, RA exhibits a high affinity for ferric ions, enabling it to form stable complexes that facilitate iron uptake and transport within microorganisms....
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Intercomparison on measurements of PCBs in pork fat during the Belgian PCB-crisis
PublicationW pracy przedstawiono wyniki porównania międzylaboratoryjnego oznaczania PCB w tłuszczu wieprzowym. Porównanie międzylaboratoryjne przeprowadzono w związku z tzw. "belgijskim kryzysem PCB" w latach 1999-2000. W porównaniu uczestniczyło 31 laboratoriów. Materiałem do badań były wyprodukowane w Instytucie Metod i Pomiarów Odniesienia (IRMM) w Geel - Belgia, trzy materiały odniesienia zawierające PCB w tłuszczu wieprzowym (suma PCB...
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Influence of the analyzing window on electrode impedance measurement by thecontinuous freqency scanning method
PublicationPrzeprowadzono pomiary impedancyjne modelowego układu elektrycznego RC techniką ciągłego skanowania częstotliwościowego. Wyznaczono impedancję modelowego układu dla różnych okien analizujących oraz ich różnych wielkości. Wyznaczone dla różnych okien analizujących wartości R i C porównywano z wartościami rzeczywistymi. Stwierdzono wpływ rodzaju okna analizującego oraz jego długość na dokładność otrzymywanych wyników.
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Electrochemical determination of neurotransmitter serotonin using boron/nitrogen co-doped diamond-graphene nanowall-structured particles
PublicationElectrode fouling is a major issue in biological detection due to the adhesion of the protein itself and polymerization of biomolecules on the electrode surface, impeding the electron transfer ability and decreasing the current response. To overcome this issue, the use of anti-fouling material, especially boron-doped diamond (BDD) electrode, is an alternative way. However, the electrocatalytic activity of BDD is inadequate compared...
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Optimization of parallel implementation of UNRES package for coarse‐grained simulations to treat large proteins
PublicationWe report major algorithmic improvements of the UNRES package for physics-based coarse-grained simulations of proteins. These include (i) introduction of interaction lists to optimize computations, (ii) transforming the inertia matrix to a pentadiagonal form to reduce computing and memory requirements, (iii) removing explicit angles and dihedral angles from energy expressions and recoding the most time-consuming energy/force terms...
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Green capsule phase microextraction employing hydrophobic monolithic sol-gel octadecyl siloxane platforms for the monitoring of organophosphorus pesticides in environmental water samples
PublicationIn this study, a novel, facile and green capsule phase microextraction (CPME) method is presented for the extraction and preconcentration of organophosphorus pesticides (i.e., chlorpyrifos, disulfoton, ethoprophos, fenchlorphos, prothiofos, and parathion-methyl) from environmental water samples. Monolithic sol-gel octadecyl siloxane (sol-gel C18) sorbent encapsulated within porous polypropylene capsules was synthesized, characterized,...
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Hydrogels Based on Natural Polymers for Cardiac Applications
PublicationIn this work agar- and borax-based hydrogels with and without the addition of poly(vinyl alcohol) (PVA) at different concentrations were synthesized. Hydrogels were modified by the same amount of acetylsalicylic acid (ASA) which exhibits antithrombotic properties. The effect of modification by ASA on the properties of hydrogels was analyzed.
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The effect of PEDOT morphology on hexavalent chromium reduction over 2D TiO2/PEDOT photocatalyst under UV–vis light
PublicationThe present study represents an approach to apply organic-inorganic hybrid materials for photocatalytic removal of heavy metals from the aqueous environment. The photocatalytic activity of the semiconductor modified with the conjugated polymer may depends on the conjugated polymer type, its amount and morphology. Therefore, in the present study the effect of poly (3, 4-ethylenedioxythiophene) (PEDOT) morphology on adsorption and photoreduction...
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Elucidating the impact of enzymatic modifications on the structure, properties, and applications of cellulose, chitosan, starch and their derivatives: a review
PublicationPolysaccharides, as one of the most prominent natural biopolymers, display numerous biological activities and industrial applications. Nevertheless, some polysaccharides lack biological properties or display weak biological activities. Besides, practical usages of polysaccharides still remain challenging because of their poor solubility and inappropriate hydrophilic/hydrophobic balance. Hence, enzymatic or chemical modifications...
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Long‐time scale simulations of virus‐like particles from three human‐norovirus strains
PublicationThe dynamics of the virus like particles (VLPs) corresponding to the GII.4 Houston, GII.2 SMV, and GI.1 Norwalk strains of human noroviruses (HuNoV) that cause gastroenteritis was investigated by means of long-time (about 30 μs in the laboratory timescale) molecular dynamics simulations with the coarse-grained UNRES force field. The main motion of VLP units turned out to be the bending at the junction between the P1 subdomain (that...
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Developing Materials for Biodegradable Otolaryngological Stents
PublicationMaterials for otolaryngological stents have to be characterized by good tensile strength, wear resistance, biocompatibility, and specific degradation time. This work aimed to synthesize polyurethanes based on various biodegradable polyol blends. Their biodegradability and mechanical properties were tested and compared to commercial BIOFLEX material.
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BODIPY‐Perylene Charge Transfer Compounds; Sensitizers for Triplet‐Triplet Annihilation Up‐conversion
PublicationBODIPY heterochromophores, asymmetrically substituted with perylene and/or iodine at the 2 and 6 positions were prepared and investigated as sensitizers for triplet-triplet annihilation up conversion (TTA-UC). Single-crystal X-ray crystallographic analyses show that the torsion angle between BODIPY and perylene units lie between 73.54 and 74.51, though they are not orthogonal. Both compounds show intense, charge transfer absorption...
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Research of chitosan coatings deposited by electrophoretic deposition method at various voltage and time parameters
PublicationThe aim of this research is to estimate the electrophoretic deposition main parameters, such as voltage and time duration, that will provide optimal characteristics of the surface layer. Chitosan coatings were synthesized on biomedical Ti13Zr13Nb alloys at 20 V and 30 V and with deposit times of 2min, 5 min, 10 min, and 15 min. Evaluation of the coating was performed by using Scanning Electron Microscope (SEM), Energy-Dispersive...
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Protein overproduction alters exosome secretion in Chinese hamster ovary cells
PublicationDespite the abundance of available cell lines, nearly 70% of all recombinant therapeutic proteins today are produced in Chi-nese hamster ovary (CHO) cells. The impact of protein overproduction on the secretion of exosomes by CHO cells has been investigated here. Increased secretion of extracellular vesicles (EVs) by protein overexpressing CHO cells was demonstrated with protein content assay, nanoparticle tracking analysis, and...
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Plant-based meat substitute analysis using microextraction with deep eutectic solvent followed by LC-MS/MS to determine acrylamide, 5-hydroxymethylfurfural and furaneol
PublicationFor the analysis of plant-based meat substitutes and the determination of Maillard reaction products such as acrylamide, 5-hydroxymethylfurfural and furaneol, a novel and effective procedure based on hydrophobic natural deep eutectic solvent and liquid chromatography coupled with tandem mass spectrometry was developed for the first time. The 49 compositions of the deep eutectic solvents were designed and screened to select the...
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Interaction of the conserved region 4.2 of sigma(E) with the RseA anti-sigma factor
PublicationEo-E RNA polymerase transcribes a regulon of folding factors for the bacterial envelope and is induced by physical and chemical stresses. The RseA anti-sigma factor inhibits the activity of Esigma(E) RNA, polymerase. It is shown here that the N-terminal portion of sigma(E), residues 1-153, binds core RNA polymerase. RseA interacts with residues 154-191 of sigma(E), a site that is homologous to region 4, the sigma factor binding...
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Escherichia coli K-12 suppressor-free mutants lacking early glycosyltransferases and late acyltransferases. Minimal lipopolysaccharide structure and induction of envelope stress response.
PublicationTo elucidate the minimal lipopolysaccharide (LPS) structure needed for the viability of Escherichia coli, suppressor-free strains lacking either the 3-deoxy-d-manno-oct-2-ulosonic acid transferase waaA gene or derivatives of the heptosyltransferase I waaC deletion with lack of one or all late acyltransferases (lpxL/M/P) and/or various outer membrane biogenesis factors were constructed. Δ(waaC lpxL lpxM lpxP) and waaA mutants exhibited...
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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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Explicit solvent repulsive scaling replica exchange molecular dynamics ( RS‐REMD ) in molecular modeling of protein‐glycosaminoglycan complexes
PublicationGlycosaminoglcyans (GAGs), linear anionic periodic polysaccharides, are crucial for many biologically relevant functions in the extracellular matrix. By interacting with proteins GAGs mediate processes such as cancer development, cell proliferation and the onset of neurodegenerative diseases. Despite this eminent importance of GAGs, they still represent a limited focus for the computational community in comparison to other classes...
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A coarse‐grained approach to NMR ‐data‐assisted modeling of protein structures
PublicationThe ESCASA algorithm for analytical estimation of proton positions from coarse-grained geometry developed in our recent work has been implemented in modeling protein structures with the highly coarse-grained UNRES model of polypeptide chains (two sites per residue) and nuclear magnetic resonance (NMR) data. A penalty function with the shape of intersecting gorges was applied to treat ambiguous distance restraints, which automatically...
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Efficient optimization approaches for microwave assisted extraction of high-quality antioxidant compounds from Salvia officinalis L.: UHPLC-HRMS differential analysis of phenolic profiles obtained by ultrasound and microwave extraction
PublicationThe study aims to optimize MAE of total phenolic compounds (TPC) and antioxidant capacity from Salvia officinalis L. leaves using a definitive screening design (DSD) and I-optimal design. UHPLC-HRMS analysis was used to identify and compare the composition of MAE and UAE optimal extracts. The results showed that DSD and I-optimal design were successfully applied for the optimization of MAE targeting phenolics and other antioxidants...
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Benzophosphol-3-yl Triflates as Precursors of 1,3-Diarylbenzophosphole Oxides
PublicationAsimplemethodforthesynthesisof3-arylbenzophospholeoxidesunderSuzuki−Miyauracouplingconditionshasbeenpresented.Itemploysbenzophosphol-3-yltriflatestartingmaterialswhich,priortoourwork,hadnotbeenusedforthesynthesisof3-arylbenzophospholeoxides.Thereactionsproceedover24handprovidealibraryof3-arylbenzophospholeoxides.Thesyntheticaccesstothebenzophosphol-3-yltriflateshasbeenimproved.Thepreliminaryphotophysicalpropertiesofsome3-arylbenzophospholeoxideshavebeeninvestigatedbyabsorptionandemissionmeasurements.Thetheoreticalcalculationswereperformedtoestablishstructure−propertyrelationships.
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Analytical applications of smartphones for agricultural soil analysis
PublicationSoil is one of the most important farming resources. Appropriate managing of its quality promotes productive and sustainable agriculture. The valuable farm practice in soil quality managing is based on regular soil analysis with the aim to determine the exact amount of nutrients or other chemical, physical and biological soil properties. Soil analysis usually requires samples collection at desired sampling depth following by samples...
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Determination of Liquid Detergent Pods as a Potential Microplastic Source
PublicationWashing pods became a popular way to add detergent to washing machines. Despite the claims about the degradability of the pod film, the sludge in pipes can be observed after the usage of such pods. This study focused on a quantitative and qualitative analysis of washing pod films as a source of microplastic.
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Water uptake kinetics and electrical transport in BaCe0.6Zr0.2Y0.1M0.1O3−δ (M = Tb, Pr, Fe) protonic conductors
PublicationBaCe0.6Zr0.2Y0.1M0.1O3−d (M = Fe, Pr, Tb) is a mixed conducting oxide in which three mobile charge carriers – oxygen ion, electron/hole, and protonic defects – are present. These types of materials have gained much interest as electrode materials for protonic ceramic fuel cells (PCFCs) and protonic ceramic electrolysis cells (PCECs). In this study, the water uptake and oxygen transport properties of different BaCe0.6Zr0.2Y0.1M0.1O3−d...
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How to evaluate methods used in chemical laboratories in terms of the total chemical risk? – a ChlorTox Scale
PublicationReliable assessment of the health and environmental risk associated with the use of chemicals is critical to ob- jectively evaluate the greenness and whiteness of an analytical method. An objective and useful way of risk assessment should take into account all the relevant properties of used substances, their actual amounts needed for application of the method, and quantify the assessment result using a standardized unit. This...
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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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Electron Scattering from Methyl Formate (HCOOCH3): A Joint Theoretical and Experimental Study
PublicationElastic low-energy electron collisions with methyl formate have been studied theoretically at the level of various theories. The elastic integral cross section was calculated using Schwinger multichannel and R-matrix methods, in the static-exchange and static-exchange plus polarization levels of approximations for energies up to 15 eV. The absolute total cross section for electron scattering from methyl formate has been measured...
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Silver(I) complexes with nitrile ligands: New materials with versatile applications
PublicationIn the present study, the structure, thermal stability, conductive properties, and antimicrobial activity of silver(I) complexes with nitrile ligands were investigated. For the construction of the materials, 2-cyanopyridine (2-cpy), 4-cyanopyridine (4-cpy), 1,2-dicyanobenzene (1,2-dcb), and 1,3-dicyanobenzene (1,3-dcb) were used in addition to the silver nitrite and nitrate. Four new compounds were isolated and structurally characterized:...
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Matriptase-2: monitoring and inhibiting its proteolytic activity
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Correction: New insights into the role of lattice oxygen in the catalytic carbonization of polypropylene into high value-added carbon nanomaterials
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Fabrication and characterization of a TiBs@MCN cable-like photocatalyst with high photocatalytic performance under visible light irradiation
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Preparation, thermal conductivity, and thermal stability of flame retardant polyethylene with exfoliated MoS2/MxOy
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Robust and highly efficient electrocatalyst based on ZIF-67 and Ni2+ dimers for oxygen evolution reaction: In situ mechanistic insight
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Investigation of the electrochemical behaviour of AA1050 aluminium alloy in aqueous alkaline solutions using Dynamic Electrochemical Impedance Spectroscopy
PublicationThe paper presents the electrochemical behaviour of aluminium alloy AA1050 in aqueous alkaline media in the pH range 14–8.5. Electrochemical study was applied in order to obtain comprehensive information on the mechanism and kinetics of the process of anodic dissolution of aluminium, supplemented by monitoring of surface topography using an electron microscope. The corrosion rate of AA1050 increases with increasing concentration...