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Search results for: PHOSPHIDO LIGANDS
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Lower rim substituted tert-butylcalix[4]arenes.Part 8: Calix[4]arenes with dialkoxyphosphoryl functions. Synthesis and complexing properties
PublicationW pracy przedstawiono syntezę i charakterystykę otrzymanych związków (1, 2), pochodnych alkoksyfosforylowych p-tert-butylokaliks[4]arenu: 5,11,17,23-tetra-tert-butylo-25,26,27,28-tetrakis(3-diizopropoksyfosforylopropoksy)kaliks[4]arenu (1) oraz 5,11,17,23-tetra-tert-butylo-25,26,27,28-tetrakis(3-methoksyetoksyfosforylopropoksy)kaliks[4]arenu (2). Zbadano właściwości jonoforowe związków 1 i 2 w membranie elektrod jonoselektywnych,...
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Property sustainable value versus highest and best use analyzes
PublicationThis article proposes the possibility of applying fuzzy logic theory to perform the tasks of determining the market value of agricultural lands. These tasks are of a multi‐criteria character, as multiple factors are taken into consideration during the land value valuation process. The market value of agricultural land plots, calculated using fuzzy logic methods, can provide a basis for further use in the processes that are directly...
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Linear-scaling calculation of Hartree-Fock exchange energy with Non-orthogonal Generalised Wannier Functions
PublicationWe present a method for the calculation of four-centre two-electron repulsion integrals in terms of localised non-orthogonal generalised Wannier functions (NGWFs). Our method has been imple- mented in the ONETEP program and is used to compute the Hartree-Fock exchange energy component of Hartree-Fock and Density Functional Theory (DFT) calculations with hybrid exchange-correlation functionals. As the NGWFs are optimised in situ...
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Bioaccumulation of Metals in Tissues of Marine Animals, Part I: the Role and Impact of Heavy Metals on Organisms
PublicationHeavy metals contribute to the anthropogenic contamination of marine ecosystems. Some of them are essential to the life processes of organisms; others are toxic, even at low concentrations. They penetrate organisms via food, respiratory pathways or the skin. The extent to which metals penetrate organisms is measured by the bioconcentration and bioaccumulation factors and also by their transport between organisms at different trophic...
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Serotonergic–Muscarinic Interaction within the Prefrontal Cortex as a Novel Target to Reverse Schizophrenia-Related Cognitive Symptoms
PublicationRecent studies revealed that the activation of serotonergic 5-HT1A and muscarinic M1, M4, or M5 receptors prevent MK-801-induced cognitive impairments in animal models. In the present study, the effectiveness of the simultaneous activation of 5-HT1A and muscarinic receptors at preventing MK-801-induced cognitive deficits in novel object recognition (NOR) or Y-maze tests was investigated. Activators of 5-HT1A (F15599), M1 (VU0357017),...
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Początek Gdyńskiego Systemu Wodociągowego Wodociąg wiejski w gminie Oksywie w latach 1911 – 1929. Część I.
PublicationPrzedmiotem badań był wodociąg wiejski na Oksywiu z początku XX wieku, jako najstarszy na ziemiach polskich pod zaborami. Po przeprowadzeniu żmudnej kwerendy odtworzono przebieg procesu decyzyjnego jego budowy i eksploatacji. Szczególnie ważkie informacje odkryto w protokołach z posiedzeń Rady Gminnej Oksywia napisanych w języku staroniemieckim w latach 1911 – 1920. W rezultacie ustalono parametry techniczne sieci i urządzeń wodociągowych...
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Development and validation of an eco-compatible UV–Vis spectrophotometric method for the determination of Cu2+ in aqueous matrices
PublicationCu 2+ are ubiquitous ions in the ecosystem and are responsible of serious environmental pollution. Indeed, the development of sensitive methods for Cu 2+ detection is an urgent demand. In this work, we proposed a new spectrophotometric method for Cu 2+ determination in different water matrices (distilled water, drinking water, wastewater, and river water). The method employs a bio-based organic ligand namely tetrasodium iminodisuccinate...
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Low-Barrier Hydrogen Bond Determines Target-Binding Affinity and Specificity of the Antitubercular Drug Bedaquiline
PublicationThe role of short strong hydrogen bonds (SSHB) in ligand-target binding remains largely unexplored, thereby hin- dering a potentially important avenue in the rational drug de- sign. Here, we investigate the interaction between bedaquiline (Bq), a potent anti-tuberculosis drug, and the mycobacterial ATP synthase, to unravel the role of a specific hydrogen bond to a conserved acidic residue in the target affinity and specificity....
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Theoretical Investigation of the Electron-Transfer Dynamics and Photodegradation Pathways in a Hydrogen-Evolving Ruthenium-Palladium Photocatalyst
PublicationTime-dependent density functional theory calcula- tions combinedwith the Marcus theory of electron transfer (ET) were app lied on the molecular photocatalys t [(tbbpy) 2 Ru(tpph z)PdC l 2 ] 2 + in order to elucidate thelight-in- duced relaxation pathways populated upon excitation in the longer wavelength range of its absorption spectrum. The computational resultsshow that after the initial excitation, metal (Ru) to ligand (tpphz)chargetransfer...
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Antitumor triazoloacridinone C-1305 as a potent FLT3 tyrosine kinase inhibitor in human acute myeloid leukemia (AML) cells.
PublicationJednym z defektów molekularnych u pacjentów z ostrą białaczką szpikową (AML) jest konstytutywna aktywacja receptoroweej kinazy tyrozynowj FLT3.Najczęstszą mutacją genu kodującego FLT3 jest wewnętrzna tandemowa duplikacja ITD we fragmencie okołobłonowym receptora. W pracy zbadano, czy przeciwnowotworowy triazoloakrydon C-1305 może być inhibitorem kinazy tyrozynowej FLT3. Badania przeprowadzono na dwóch liniach komórkowych białaczek...
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Volumes of N,N-dimethylacetamide solvated metal cations. Variation within the manganese(II) to zinc(II) series
PublicationDensities and apparent molar volumes for Mn(ClO4)2,Co(ClO4)2 , Ni(ClO4)2,Cu(ClO4)2 , and Zn(ClO4)2 in N, N -dimethylacetamide (DMA) solutions at T = 298.15 K are reported. Densities and apparent molar volumes of tetrabutylammonium tetraphenylborate...
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Bioelectronic tongue: Current status and perspectives
PublicationIn the course of evolution, nature has endowed humans with systems for the recognition of a wide range of tastes with a sensitivity and selectivity which are indispensable for the evaluation of edibility and flavour attributes. Inspiration by a biological sense of taste has become a basis for the design of instruments, operation principles and parameters enabling to mimic the unique properties of their biological precursors. In...
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Enabling simultaneous redox transformation of toxic chromium(VI) and arsenic(III) in aqueous media—A review
PublicationSimultaneous conversion of most harmful As(III) and Cr(VI) to their less toxic counterparts is environmentally desirable and cost-effective. It has been confirmed that simultaneous oxidation of As(III) to As(V) and reduction of Cr(VI) to Cr(III) can occur via free radical or mediated electron transfer processes. While Cr(VI) is reduced by reacting with H•, eaq−, photoelectron directly or undergoing ligand exchange with H2O2 and...
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Kompleksy [CoCl(S2CNR2)(PR'3)] - synteza i właściwości
PublicationDitiokarbamianiany metali są związkami o znaczeniu przemysłowym, ale wciąż stanowią obiekt badań podstawowych. Właściwości tego typu kompleksów można korzystnie modyfikować stosując różnorodne dodatkowe ligandy, w tym P-donorowe. Stosunkowo dobrze poznano budowę układów [MCl(S2CNR2)(PR'3)] zwłaszcza dla M=Ni, gdzie dane strukturalne jednoznacznie pokazują płaską kwadratową geometrię rdzenia NiClS2P tworzących się kompleksów. Dla...
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Kompleksy [CoCl(S2CNR2)(PR'3)] - synteza i właściwości
PublicationDitiokarbamianiany metali są związkami o znaczeniu przemysłowym, ale wciąż stanowią obiekt badań podstawowych. Właściwości tego typu kompleksów można korzystnie modyfikować stosując różnorodne dodatkowe ligandy, w tym P-donorowe. Stosunkowo dobrze poznano budowę układów [MCl(S2CNR2)(PR'3)] zwłaszcza dla M=Ni, gdzie dane strukturalne jednoznacznie pokazują płaską kwadratową geometrię rdzenia NiClS2P tworzących się kompleksów. Dla...
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Corrosion behaviour of Cr coatings deposited from Cr(III) formate - urea electrolytes
PublicationPowłoki chromowe były otrzymane z elektrolitów Cr(III) zawierających odpowiednie ligandy, zapewniające ich dobry wygląd. Zbadano wpływ hydrazyny oraz hydrohylo aminofosfatu na właściwości korozyjne Cr otrzymanego z kąpieli mocznikowo-formaldehydowych Cr(III). Właściwości warstw testowano przy pomocy metody EIS rejestrując widma impedancyjne dla próbek o różnych czasach ekspozycji w zakwaszonym roztworze siarczanowym ( pH 2,6) stosując...
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Imidazoacridinone antitumor agent C-1311 as a selective mechanism- based inactivator of human cytochrome P450 1A2 and 3A4 isoenzymes.
Publication5-Diethylaminoethylamino-8-hydroxyimidazoacridinone (C-1311), a promising antitumor agent that is also active against autoimmune diseases, was determined to be a selective inhibitor of the cytochrome P450 (CYP) 1A2 and 3A4 isoenzymes. Therefore, C-1311 might modulate the effectiveness of other drugs used in multidrug therapy. The present work aimed to identify the mechanism of the observed C-1311-mediated inactivation of CYP1A2...
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In-Reactor Polypropylene Functionalization─The Influence of Catalyst Structures and Reaction Conditions on the Catalytic Performance
PublicationTo unravel the relationship between silylene-bridged metallocene catalyst structures and polymerization conditions and their effect on the performance in in-reactor functionalization of polypropylene, the behaviors of rac-Me2Si(2-Me-4-Ph-Ind)2ZrCl2/MMAO, rac-Me2Si(Ind)2ZrCl2, rac-Me2Si(2-Me-4-Ph-Ind)2HfCl2, and rac-Me2Si(Ind)2HfCl2 in propylene/aluminum alkyl-passivated 10-undecen-1-ol copolymerization were compared. Kinetic analysis...
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Synthesis, crystal structure and spectroscopic characterization of new anionic iridium(III) complexes and their interaction with biological targets
PublicationThe synthesis and characterisation of new anionic iridium(II) complexes (NH4)2[IrCl4(κ2N,N’-H2biim)]2 · 5H2O (1) and ((CH3)2NH2)[IrCl4(κ2N,N’-PyBIm)] · H2O (2) are presented in this article. Spectroscopic methods (1H, 13C and 15N NMR, FTIR, UV-Vis) were used to characterize these new complexes. Solid-state structural analysis (SC-XRD) of complexes 1 and 2 shows a slightly distorted octahedral geometry of Ir(III) ions, which is...
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Magnetic anisotropy and structural flexibility in the f ield-induced single ion magnets [Co{(OPPh2) (EPPh2)N}2], E = S, Se, explored by experimental and computational methods
PublicationDuring the last few years, a large number of mononuclear Co(II) complexes of various coordination geometries have been explored as potential single ion magnets (SIMs). In the work presented herein, the Co(II) S = 3/2 tetrahedral [Co{(OPPh2)(EPPh2)N}2], E = S, Se, complexes (abbreviated as CoO2E2), bearing chalcogenated mixed donor-atom imidodiphosphinato ligands, were studied by both experimental and computational techniques. Specifically,...
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TOPOLOGICAL CLUES FOR PREDICTING OUTCOMES OF MULTIPLAYER ONLINE BATTLE ARENA GAMES
PublicationWith 27 million people playing League of Legends every day, e-sports became more and more important part of our everyday life. Rise of its popularity builds a demand for better understanding e-sports mechanics on a deeper level. In the article, we test a hypothesis that it is possible to predict an outcome of Multiplayer Online Battle Arena game based on topological clues only (such as area of polygon where vertices are players...
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A method for a comprehensive lipidomic analysis of flaxseed (Linum usitatissimum) with the use of LC–Q-TOF-MS and dispersive micro-solid-phase (μDSPE) extraction
PublicationFlaxseed (FS) is one of the richest sources of α-linolenic acid oil and lignans, and it is suggested that the consumption of flaxseed may contribute to the prevention of certain chronic diseases such as many types of cancer, diabetes, cardiovascular diseases and cerebrovascular stroke. Here, we demonstrate a new method for comprehensive FS lipidome profiling with the use of LC–Q-TOF-MS and dispersive micro-solid-phase extraction....
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Spectroelectrochemical characteristics of poly(3,4-ethylenedioxythiophene) / iron hexacyanoferrate film-modified electrodes
PublicationPraca dotyczy pomiarów spektroelektrochemicznych materiałów hybrydowych złożonych z polimeru elektroaktywnego poli(3,4-etylenodioksytiofenu) i Błękitu Pruskiego. Dla porównania badano również filmy polimerowe z wybranymi przeciwjonami: heksacyjanożelazowym (Fe(CN)63-/4-), chlorkowym (Cl-) i polistyrenosulfonowym (PSS-). Materiały w postaci cienkich filmów otrzymano na elektrodzie szklanej pokrytej tlenkiem indowo-cynowym. Widma...
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Synchrotron radiation photoemission spectroscopy of the oxygen modified CrCl3 surface
PublicationWe investigate the experimentally challenging CrCl3 surface by photon energy dependent photoemission (PE). The core and valence electrons after cleavage of a single crystal, either in a ultrahigh vacuum (UHV) or in air, are studied by keeping the samples at 150 1C, aiming at confirming the atomic composition with respect to the expected bulk atomic structure. A common spectroscopic denominator revealed by data is the presence of...
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Enantiomeric Resolution of N,N'-Dimethyldithiodianthranilide through Diastereomeric silver(I) complex. Chiroptical spectra, racemization barrier and molecular self-assembly
PublicationN,N'-dimetyloditiodiantranilid, związek o chiralności płaszczyznowej, rozdzielono na enancjomery. Optycznie czynne molekuły uzyskano w wyniku tworzenia chiralnego kompleksu N,N'-dimetyloditiodiantranilidu z solą srebrową kwasu (1S)-kamforosulfonowego. W oparciu o badania rentgenostrukturalne monokryształu uzyskanego kompleksu określono absolutną konfigurację przykoordynowanego ligandu jako (R). Enancjomery N,N'-dimetyloditiodiantranilid...
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Pochodne kwasów ditiokarbaminowych - synteza i budowa
PublicationDitiokarbaminiany - związki powstające w wyniku reakcji amin pierwszo- lub drugorzędowych z disiarczkiem węgla - znalazły zastosowanie m. in. jako ligandy w chemii koordynacyjnej. Ich synteza przebiega według mechanizmu substytucji nukleofilowej SN2, przy czym rolę nukleofila pełni aktywowana przez zasadę amina atakująca centrum elektrofilowe w CS2. Różnorodność połączeń, wynikająca z charakteru grupy >N-CS2-, pozwala na otrzymanie,...
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Pochodne kwasów ditiokarbaminowych - synteza i budowa
PublicationDitiokarbaminiany - związki powstające w wyniku reakcji amin pierwszo- lub drugorzędowych z disiarczkiem węgla - znalazły zastosowanie m. in. jako ligandy w chemii koordynacyjnej. Ich synteza przebiega według mechanizmu substytucji nukleofilowej SN2, przy czym rolę nukleofila pełni aktywowana przez zasadę amina atakująca centrum elektrofilowe w CS2. Różnorodność połączeń, wynikająca z charakteru grupy >N-CS2-, pozwala na otrzymanie,...
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Comparison of Selection Schemes in Evolutionary Method of Path Planning
PublicationThis article compares an impact of using various selection schemes on the quality of the solution for the problem of planning the path for a moving object using the evolutionary method. In study case problem of avoiding collisions at sea is analyzed. The modelled environment includes static constraints (lands, canals, etc.) and dynamic objects (moving ships). Article analyses behaviour of selection schemes in two similar environments...
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Two pseudopolymorphs of licl trimers with semicubane structures
PublicationCząsteczki tytułowych związków w ciele stałym przyjmują strukturę semikubanów - jest to pierwsza tego typu struktura dla solwatowanego chlorku litu. Jej budowę można opisać jako kuban [Li4Cl4(OPEt3)4], w którym jedna z cząsteczek LiCl została usunięta. Brak tej cząsteczki, a dokładniej mostkującego atomu Li, powoduje deformację struktury kubanu. Naroża zdeformowanego kubanu stanowią trzy atomy litu pochodzące z LiCl oraz cztery...
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Kompleksy fosfanylofosfidowe z grupami indenylowymi
PublicationPochodne litowe difosfanów są z powodzeniem stosowane jako prekursory ligandów fosfanylofosfinidenowego R2PP oraz fosfanylofosfidowego R2PP(SiMe3) w reakcjach z dichlorometalocenami. Rodzaj powstałych produktów w tego typu reakcjach, w dużej mierze zależy od podstawników w pierścieniu cyklopentadienylowym w cząsteczce metalocenu oraz od właściwości atomu metalu. Zastosowanie dichlorocyrkonocenów z grupami indenylowymi (Ind=C9H7)...
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Exploring novel Cd(ii) complexes with 5-methyl-4-imidazolecarboxaldehyde: synthesis, structure, computational insights, and affinity to DNA through switchSense methodology
PublicationA series of four Cd(II) complexes with 5-methyl-4-imidazolecarboxaldehyde (L) with different inorganic anions within or outside the coordination sphere of general formula: [CdCl2 L2 ] (1), [CdBr2 L 2] (2), [CdI2L 2] (3), and [CdL4 ](PF6 )2 ·3H2 O (4) was synthesized through one-step and two-step reactions, respectively. All complexes were obtained as colorless crystals without the need for recrystallization and exhibited solubi- lity...
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Reactivity of Diimido Complexes of Molybdenum and Tungsten towards Lithium Derivatives of Diphosphanes and Triphosphanes
PublicationThe reaction of R2P–P(SiMe3)Li (R = tBu, iPr) with the diimido molybdenum complex [(ArN)2MoCl2·dme] (Ar = 2,6-iPr2C6H3; dme = 1,2-dimethoxyethane) yielded the side-oncoordinated phosphanylphosphinidene anionic complexes [(2,6-iPr2C6H3N)2Mo(Cl)(η2-P=PR2)]– (7Mo, 8Mo). The thermal decomposition of [(2,6-iPr2C6H3N)2M(Cl)(η2-P=PR2)]–[M = Mo (7Mo), W (8W)] to [(2,6-iPr2C6H3N)2M(Cl)(1,2-η-tBu2P=P–PtBu2)] [M = Mo (3Mo), W (3W)] was investigated...
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Electronic States of Tris(bipyridine) Ruthenium(II) Complexes in Neat Solid Films Investigated by Electroabsorption Spectroscopy
PublicationWe present the electric field-induced absorption (electroabsorption, EA) spectra of the solid neat films of tris(bipyridine) Ru(II) complexes, which were recently functionalized in our group as photosensitizers in dye-sensitized solar cells, and we compare them with the results obtained for an archetypal [Ru(bpy)3]2+ ion (RBY). We argue that it is difficult to establish a unique set of molecular parameter values by discrete parametrization...
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Optimization of vortex-assisted supramolecular solvent-based liquid liquid microextraction for the determination of mercury in real water and food samples
PublicationA novel method was developed for sample preparation for spectrophotometric determination of Hg(II) in water and food samples. The method was based on vortex-assisted supramolecular solvent-assisted liquid-liquid microextraction (VA-SUPRASs-LLME). Analytical parameters such as pH, chelating agent, solvent type and volume, vortex time and salting out effect were optimized. Surface and normal probability plots were drawn for the variables...
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Intercalation complex of imidazoacridinone C-1311, a potential anticancer drug, with DNA helix d(CGATCG)2: stereostructural studies by 2D NMR spectroscopy.
PublicationImidazoacridinone C-1311 (Symadex®) is a powerful antitumor agent, which successfully made its way through the Phase I clinical trials and has been recommended for Phase II few a years ago. It has been shown experimentally that during the initial stage of its action C-1311 forms a relatively stable intercalation complex with DNA, yet it has shown no base-sequence specificity while binding to DNA. In this paper, the d(CGATCG)2:C-1311...
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Geometry optimization of steroid sulfatase inhibitors - the influence on the free binding energy with STS
PublicationIn the paper we review the application of two techniques (molecular mechanics and quantum mechanics) to study the influence of geometry optimization of the steroid sulfatase inhibitors on the values of descriptors coded their chemical structure and their free binding energy with the STS protein. We selected 22 STS-inhibitors and compared their structures optimized with MM+, PM7 and DFT B3LYP/6–31++G* approaches considering separately...
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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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Molecular mechanism and energetics of coupling between substrate binding and product release in the F 1 -ATPase catalytic cycle
PublicationF1-ATPase is a motor protein that couples the rotation of its rotary γ subunit with ATP synthesis or hydrolysis. Single-molecule experiments indicate that nucleotide binding and release events occur almost simultaneously during the synthesis cycle, allowing the energy gain due to spontaneous binding of ADP to one catalytic β subunit to be directly harnessed for driving the release of ATP from another rather than being dissipated...
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N-doped carbon nanospheres as selective fluorescent probes for mercury detection in contaminated aqueous media: chemistry, fluorescence probing, cell line patterning, and liver tissue interaction
PublicationA precise nano-scale biosensor was developed here to detect Hg2+ in aqueous media. Nitrogen-doped carbon nanospheres (NCS) created from the pyrolysis of melamine–formaldehyde resin were characterized by FESEM, XRD, Raman spectra, EDS, PL, UV–vis spectra, and N2 adsorption–desorption, and were used as a highly selective and sensitive probe for detecting Hg2+ in aqueous media. The sensitivity of NCS to Hg2+ was evaluated by photoluminescence...
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Ultrasensitive electrochemical determination of the cancer biomarker protein sPD-L1 based on a BMS-8-modified gold electrode
PublicationThis work describes the modification of a gold electrode with the BMS-8 compound that interacts with the Programmed Death-Ligand 1 (PD-L1), an immune checkpoint protein. The results show that we can confirm the presence of the sPD-L1 in the concentration range of 10−18 to 10−8 M using electrochemical impedance spectroscopy (EIS) with a limit of detection (LOD) of 1.87 × 10−14 M for PD-L1 (S/N = 3.3) and at a concentration of 10−14...
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Krajobraz nomadyczny w Muittalus samid birra (1910) Johana Turiego
PublicationThe article introduces Muittalus samid birra (1910, An account of the Sami) by Johan Turi, the fi rstbook with a secular content written in the sami language by a sami person. The author, a wolf hunterand reindeer-breeder, describes a broad spectrum of his people’s daily life. Pictures of everydayactivities are supplemented with stories about the sami people’s knowledge of the world (traditions,myths,...
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The role of glucuronidation in drug resistance
PublicationThe final therapeutic effect of a drug candidate, which is directed to a specific molecular target strongly depends on its absorption, distribution, metabolism and excretion (ADME). The disruption of at least one element of ADME may result in serious drug resistance. In this work we described the role of one element of this resistance: phase II metabolism with UDP-glucuronosyltransferases (UGTs). UGT function is the transformation...
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DL_MG: A Parallel Multigrid Poisson and Poisson–Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution
PublicationThe solution of the Poisson equation is a crucial step in electronic structure calculations, yielding the electrostatic potential -- a key component of the quantum mechanical Hamiltonian. In recent decades, theoretical advances and increases in computer performance have made it possible to simulate the electronic structure of extended systems in complex environments. This requires the solution of more complicated variants of the...
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Carboxylic acids as efficient corrosion inhibitors of aluminium alloys in alkaline media
PublicationThe efficiency of AA5754 aluminium alloy corrosion inhibition achieved with maleic, malic, succinic, tartaric, citric, tricarballylic acids and serine in alkaline environment (pH 11) was examined. Selected corrosion inhibitors are characterized by different numbers and distribution of carbonyl and hydroxyl groups within their molecules. We have proposed and verified a novel approach for determining the adsorption isotherms based...
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Mechanochemical Energy Transduction during the Main Rotary Step in the Synthesis Cycle of F1-ATPase
PublicationF1-ATPase is a highly efficient molecular motor that can synthesize ATP driven by a mechanical torque. Its ability to function reversibly in either direction requires tight mechanochemical coupling between the catalytic domain and the rotating central shaft, as well as temporal control of substrate binding and product release. Despite great efforts and significant progress, the molecular details of this synchronized and fine-tuned...
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Molecular basis of the osmolyte effect on protein stability: a lesson from the mechanical unfolding of lysozyme
PublicationOsmolytes are a class of small organic molecules that shift the protein folding equilibrium. For this reason, they are accumulated by organisms under environmental stress, and find applications in biotechnology where proteins need to be stabilized or dissolved. However, despite years of research, debate continues over the exact mechanisms underpinning the stabilizing and denaturing effect of osmolytes. Here, we simulated the mechanical...
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Allosteric control of Candida albicans glucosamine-6-phosphate synthase.
PublicationPrzedstawiono wyniki badań spektrofluorymetrycznych syntazy GlcN-6-P z Candida albicans oraz enzymu zmutowanego, w którym reszty Trp388 i 690 zostały zamienione na drodze ukierunkowanej mutagenezy na reszty Phe. Metodą spektrofluorymetryczną badano wpływ ligandów: Fru-6-P (substrat), Gln (substrat), UDP-GlcNAc (inhibitor), Glc-6-P (aktywator), DON (analog glutaminy) w odpowiednio dobranych stężeniach. Obecność większości efektorów...
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Investing in wine, precious metals and G-7 stock markets – A co-occurrence analysis for price bubbles
PublicationThis paper used the GSADF test to determine the periods defined in this paper as price bubbles in the three markets studied, i.e. the investment wine market, precious metal market and national stock market indices of G-7 countries. The results obtained enabled the calculation of the values of the phi correlation coefficients, which served the research objective of assessing the co-occurrence of price bubbles in the markets analysed....
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Selection Pressure in the Evolutionary Path Planning Problem
PublicationThis article compares an impact of using various post-selection methods on the selection pressure and the quality of the solution for the problem of planning the path for a moving object using the evolutionary method. The concept of selection pressure and different methods of post-selection are presented. Article analyses behaviour of post-selection for four options of evolutionary algorithms. Based on the results achieved, waveform...
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El empleo en el marco de la transformación digital: Gig Economy vs Open Collaboration ¿dos caras de una misma moneda?
PublicationTal y como plantea Pérez [43, 44], estamos viviendo los efectos de una revolución tecnológica ligada al desarrollo de las TICs. Los procesos de innovación, describe, se retroalimentan colectivamente, involucrando diferentes actores (productores, proveedores, distribuidores y consumidores) entrelazados en clústeres o redes dinámicas y complejas. Estos procesos colectivos ayudan a desarrollar e implementar tecnologías y magnifican...