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Wyniki wyszukiwania dla: imine ligand
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Spin-Resolved Band Structure of Hoffman Clathrate [Fe(pz)2Pt(CN)4] as an Essential Tool to Predict Optical Spectra of Metal–Organic Frameworks
PublikacjaParamount spin-crossover properties of the 3D-Hoffman metalorganic framework (MOF) [Fe(pz)2Pt(CN)4] are generally described on the basis of the ligand field theory, which provides adequate insight into theoretical and simulation analysis of spintronic complexes. However, the ligand field approximation does not take into account the 3D periodicity of the actual complex lattice and surface effects and therefore cannot predict a full-scale...
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Jedno- i wielordzeniowe heteroleptyczne silanotiolany Co(II) i Ni(II) - badania strukturalne, spektroskopowe i magnetyczne
PublikacjaDoniesienia literaturowe wskazują na możliwość zastosowania związków kompleksowych Co(II) i Ni(II) jako jednocząsteczkowe magnesy molekularne (SMM). Wysiłki naukowców skupiają się na poznaniu zależności pomiędzy strukturą molekularną związków, a ich właściwościami magnetycznymi. Znane są przykłady związków typu SMM opartych na jonach Co(II) i Ni(II), w których metal koordynowany jest przez miękkie S-donorowe ligandy tiolanowe,...
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Scientific Journal of the Military University of Land Forces
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Use of pyridinium and pyrrolidinium ionic liquids for removal of toluene from gas streams
PublikacjaSeparation of toluene from a toluene/N2 gas mixture using supported liquid membranes based on a series of pyridinium (1-butylpyridinium- bis(trifluoromethylsulfonyl)imide - [C4Py][Tf2N], 1-hexylpyridinium trifluoromethanesulfone [C6Py][Tf2N]) and pyrrolidinium (1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide - [C4Pyrr][Tf2N], 1-hexyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide - [C6Pyrr][Tf2N], 1-butyl-1-methylpyrrolidinium...
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Chemistry of the phosphinophosphinidene tBu2P-P, a novel ă-electron ligand.Appl. Organomet. Chem. [online]**2003 vol. 17 [6 December 2002] s. 28-35, 10 rys. bibliogr. 53 poz. Dostępny w Internecie www.interscience.wiley.com Chemia fosfinofosfinidenu tBu2P-P, nowego liganda ă-elektronowego.
PublikacjaFosfanofosfiniden tBu2P-P w kompleksach z metalami przejściowymi jest z re-guły kompleksowany na sposób hapta-2 i przyjmuje geometrię 1,1-ditertbutyl-difosfenu. W reakcjach z cyklicznymi olefinami związek ten wykazuje właści-wości elektrofilowego singletowego karbenu.
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Head-Space SPME for the Analysis of Organophosphorus Insecticides by Novel Silica IL-Based Fibers in Real Samples
PublikacjaThis work demonstrates the suitability of a newly developed ionic liquid (IL)-based silica SPME fiber for the determination of seven organophosphorus insecticides in cucumber and grapefruit samples by headspace solid-phase microextraction (HS-SPME) with a gas chromatography–flame ionization detector (FID). The sol-gel method released four different sorbent coatings, which were obtained based on a silica matrix containing ILs immobilized...
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A strong preference for the TA/TA dinucleotide step discovered for an acridine-based, potent antitumor dsDNA intercalator, C-1305: NMR-driven structural and sequence-specificity studies
PublikacjaTriazoloacridinone C-1305, a potent antitumor agent recommended for Phase I clinical trials, exhibits high activity towards a wide range of experimental colon carcinomas, in many cases associated with complete tumor regression. C-1305 is a well-established dsDNA intercalator, yet no information on its mode of binding into DNA is available to date. Herein, we present the NMR-driven and MD-refined reconstruction of the 3D structures...
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Synthesis and characterisation of starch cuprate
PublikacjaThe cupration of granular potato starch with ammonium tetrachlorocuprate(II) was performed by a 20 min lasting microwave-assisted process and by 40 min convectional heating. In both cases the degree of esterification (DE) did not exceed 0.0064. A higher dose of cuprate had a positive effect on DE, regardless of whether the microwave irradiation or the convectional heating was applied, and on the thermal stability of the starch...
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Bromo(dithiobenzoato-k2S,S')tris(tetrahydrofuran-kO)magnesium(II): a redetermination
PublikacjaZwiązek [MgBr(C6H5CS2)(C4H8O)3]zawiera ligand ditiobenzoesowy. Dzięki pomiarom rentgenograficznym w niskiej temperaturze została określona struktura tego związku. Kompleks posiada zniekształconą geometrię oktaedryczną.
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In situ spectroelectrochemical and theoretical study on the oxidation of a 4H-imidazole-ruthenium dye adsorbed on nanocrystalline TiO2thin film electrodes
PublikacjaTerpyridine 4H-imidazole-ruthenium(ii) complexes are considered promising candidates for use as sensitizers in dye sensitized solar cells (DSSCs) by displaying broad absorption in the visible range, where the dominant absorption features are due to metal-to-ligand charge transfer (MLCT) transitions. The ruthenium(iii) intermediates resulting from photoinduced MLCT transitions are essential intermediates in the photoredox-cycle...
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Hybridization of valuation procedures as a medicine supporting the real estate market and sustainable land use development during the covid-19 pandemic and afterwards
PublikacjaCurrently we are facing the pandemic situation that occur all over the world. Regardless the country or even the region, the negative consequences that are expected could be very big and the level of crisis is not predictable. This situation is the challenge for the real estate market as well. Due to this fact, the authors believe that there is the time when deep transformation of approaches, procedures and awareness related to...
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A New Approach for Investigating the Impact of Pesticides and Nutrient Flux from Agricultural Holdings and Land-Use Structures on Baltic Sea Coastal Waters
PublikacjaKnowledge related to land-use management impacts on the Baltic Sea ecosystem is limited. The constant release of pollutants into water bodies has resulted in water quality degradation. Therefore, only the innovative approaches integrated with research will provide accurate solutions and methods for proper environment management and will enable understanding and prediction of the impacts of land-use in the Baltic Sea region. Modelling...
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Structural and dynamic changes adopted by EmrE, multidrug transporter protein—Studies by molecular dynamics simulation
PublikacjaEmrE protein transports positively charged aromatic drugs (xenobiotics) in exchange for two protons and thus provides bacteria resistance to variety of drugs. In order to understand how this protein may recognize ligands, the monomer and asymmetric apo-form of the EmrE dimer embedded in a heterogeneous phospholipid (POPE + POPG) membrane were studied by molecular dynamics simulations. Dimer is regarded as a functional form of the...
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Dariusz Witt prof. dr hab. inż.
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Nitrate and nitrite silver complexes with weakly coordinating nitriles
PublikacjaSimple system of weak nitrile ligands and silver nitrite/nitrate allowed the formation and isolation of coordination compounds of diverse nuclearity and dimensionality. The extension of the network does not enhance the luminescent properties of the ligands however it gives rise to the new MLCT bands in the visible region.
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Jiefangjun Ligong Daxue Xuebao/Journal of PLA University of Science and Technology (Natural Science Edition)
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Influence of Protonation State on the Excited State Dynamics of a Photobiologically Active Ru(II) Dyad
PublikacjaThe influence of ligand protonation on the photophysics of a ruthenium (Ru) dyad bearing the 2-(1-pyrenyl)-1H-imidazo[4,5-f][1,10]-phenanthroline (ippy) ligand was investigated by time-resolved transient absorption spectroscopy. It was found that changes in the protonation state of the imidazole group led to changes in the electronic configuration of the lowest lying excited state. Formation of the fully deprotonated imidazole...
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Mononuclear sodium(I) and copper(I) silanethiolates
PublikacjaStericallyencumberedligand(ArO) 3 SiS − , where Ar = 2,6-diisopropylphenyl, was employed for the synthesisof a dicoordinate copper(I) complex. The ligand creates a very hydrophobic environment around the metal center as indicated by the crystal structures and FT-IR spectroscopy.
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Tuning of photocatalytic activity by creating a tridentate coordination sphere for palladium
PublikacjaThe synthesis and characterisation of an asymmetric potential bridging ligand bmptpphz (bmptpphz = 2,17-bis(4-methoxyphenyl)tetrapyrido[3,2-a:2’,3’-c:3’’,2’’-h:2’’’,3’’’-j] phenazine) is presented. This ligand contains a 1,10-phenanthroline (phen) and a 2,9-disubstituted phen sphere and possesses a strong absorbance in the visible. Facile coordination of the phen sphere to a Ru(tbbpy)2 core leads to Ru(bmptpphz) ([(tbbpy)2Ru(bmptpphz)](PF6)2;...
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Light‐Driven Multi‐Charge Separation in a Push‐Pull Ruthenium‐Based Photosensitizer – Assessed by RASSCF and TDDFT Simulations
PublikacjaThe performance of photosensitizers in the field of, for example, solar energy conversion, relies on their light-harvesting efficiency in the visible region, population of long-lived charge separated intermediates, as well as their charge-accumulation capacity amongst other properties. In this computational study, we investigate the photophysical properties of a bis(bipyridyl)ruthenium(II)-based black dye (Ru) incorporating a chromophoric...
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GIS Technology, 3D Models and Mathematical Models as a Tool for Assessing Development Capabilities of Flood Risk Land to Make Arrangements of Municipal Planning Documents
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Nauczanie geodezji w środowisku dyscyplin geoinżynieryjnych poprzez analizę trendów.Teaching of land surveying in the environment of geo-engineering sciences through trend analysis.
PublikacjaZdaniem autorów interesującym może być pokazanie dwóch biegunów myślenia o nauczaniu geodezji z wykorzystaniem trendów istniejących w technologii konfrontowanych z rozwiązaniami komercyjnymi. W artykule przedstawione zostają punkty widzenia geodetów, absolwentów tej samej uczelni:- wykładowcy wydziału geodezyjnego, który zmieniając środowisko pracy naukowej, porównuje swoje doświadczenia dydaktyczne z zastanym stanem na uczelni...
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Spatiotemporal Assessment of Satellite Image Time Series for Land Cover Classification Using Deep Learning Techniques: A Case Study of Reunion Island, France
PublikacjaCurrent Earth observation systems generate massive amounts of satellite image time series to keep track of geographical areas over time to monitor and identify environmental and climate change. Efficiently analyzing such data remains an unresolved issue in remote sensing. In classifying land cover, utilizing SITS rather than one image might benefit differentiating across classes because of their varied temporal patterns. The aim...
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The first compound with an unusual type of anion, [Li(SR)2]-:bis(µ2-aqua-d2)tetrakis(aqua-d2)]dilithium(I)bis[bis(tri-tert-butoxysilanethiolato-k2O,S)lithate(I)]dihydrate-d2
PublikacjaTytułowy związek [Li2(D2O)6][Li(C9H27SSiO3)2]2*2D2O, jest pierwszym związkiem z wiązaniem S-M (M-metal alkaliczny), zawierającym niespotykany typ anionu litanowego: [Li(SR)2]-,gdzie R=Si{OC{CH3)3}3. Centrum symetrii związku znajduję się pośrodku pierścienia Li2O2 wchodzącego w skład kationu. Wszystkie atomy litu budujące rdzenie kationów - LiO4 i anionów - LiO2S2, są czterokoordynacyjne. Jednoujemne aniony [Li(SR)2]- są dobrze...
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Parameters of land reference points in the Gdynia region and the Free-air anomaly grid of the South Baltic
Dane BadawczeThe data was registered during the campaign to verify the catalog value of the absolute point coordinates [point 5403 (POLREF-GORA DONAS)] of the national gravimetric control network. The data was recorded in two three-hour stationary measurement campaigns at the following points: Rozewie of the EUREF-POL network, Góra Donas POLREF, and mareograph points...
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Structural, physicochemical and anticancer study of Zn complexes with pyridyl-based thiazolyl-hydrazones
PublikacjaThiazolyl-hydrazones (THs) exhibit a wide spectrum of biological activity that can be enhanced by complexation with various metal ions. Zn(II) complexes with α-pyridine-1,3-TH ligands may represent an alternative to the standard platinum-based chemotherapeutics. In addition, they show photoluminescence properties and thus can be regarded as multifunctional materials. In this study, we synthesized and characterized three neutral...
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Estimating Water Retention in Post-mining Excavations Using LiDAR ALS Data for the Strzelin Quarry, in Lower Silesia
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EUDEM2: Overview and some early findings Issue
PublikacjaW publikacji prezentowany jest projekt EUDEM2 oraz wyniki prowadzonych prac.
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Methods for Elucidation of DNA-Anticancer Drug Interactions and Their Applications in the Development of New Drugs
PublikacjaDNA damaging agents including anthracyclines, camptothecins and platinum drugs are among most frequently used drugs in the chemotherapeutic routine. Due to their relatively low selectivity for cancer cells, administration is associated with adverse side effects, whereas the inherent genotoxicity of these drugs is associated with risk of developing secondary cancers. Development of new drugs, which could be spared of these drawbacks...
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Mechanism of the Reaction of Amines with 5-[(Aryl- or Alkylamino)hydroxymethylene]-2,2-dimethyl-1,3-dioxane-4,6-diones in the Presence of Chlorotrimethylsilane (Me3SiCl);
PublikacjaAddition of chlorotrimethylsilane (Me3SiCl) to the mixture of a carbamoyl‐substituted Meldrum's acid, i.e., a 5‐[(arylamino)hydroxymethylene]‐2,2‐dimethyl‐1,3‐dioxane‐4,6‐dione of type 1 and a secondary amine as nucleophile strongly accelerated the rate of their reaction. The reason for this phenomenon observed, during our previous research, remained, however, unclear. To elucidate the mechanism of this reaction, we assumed and...
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Amine Zouad PhD.student
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Studies on micellar aggregation of nonionic surfactants in imidazolium liquids
PublikacjaA number of imidazolium ionic liquids, with 2-8 carbon atoms in cation alkyl chains, and tetrafluoroborate, hexafluorophosphate, bis(trifluoromethylsulfony)imide and trifluoromethanesulfonate anions, were characterized for their ability to support micellar aggregation of nonionic surfactants in binary solutions.
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Zastosowanie wysokosprawnej kolumnowej chromatografii cieczowej w odwróconych układach faz (RP-HPLC) do rozdzielania i wstępnej identyfikacji składników hydrofilowych mieszanin po hydrolizie zasadowej biomasy ligno-celulozowej (BMLC)
PublikacjaWzrost konsumpcji paliw kopalnych, ich pozyskiwanie oraz eksploatacja niesie ze sobą wiele zagrożeń dla środowiska, dlatego alternatywnym źródłem energii stają się biopaliwa, w tym bio-wodór pozyskiwany w konwersji biomasy ligno-celulozowej, która poddawana jest obróbce wstępnej. Najczęściej wykorzystywaną metodą obróbki wstępnej jest hydroliza alkaliczna, podczas której powstaję bardzo dużo produktów ubocznych, nieprzydatnych...
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Neurodiversity and remote work in times of crisis: lessons for HR
PublikacjaPurpose The rich qualitative study builds on 11 semi-structured interviews with nine neurodivergent employees and two business professionals supportive of neurodiversity to understand the lived experiences of dealing with crisis in a remote working environment. Design/methodology/approach The purpose of the reported research is to understand how neurominorities experience remote working in the times of crisis and what the implications...
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Excited-state proton transfer and geminate recombination in the molecular cage of β-cyclodextrin
PublikacjaExcited-state proton transfer and geminate recombination in aqueous heptakis(2,6-di-O-methyl)-β-cyclodextrin have been compared with those in water by monitoring the photoinduced prototropic tautomerization of 6-hydroxyquinoline, which occurs via forming anionic intermediate. Enol deprotonation decelerates by 18 times whereas its reverse process accelerates slightly with encapsulation. The imine protonation of the intermediate...
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A Highly Selective Biosensor Based on Peptide Directly Derived from the HarmOBP7 Aldehyde Binding Site
PublikacjaThis 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...
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Spectroscopic and cytotoxic characteristics of (p-cymene)Ru(II) complexes with bidentate coumarins and density functional theory comparison with selected Pd(II) complexes
PublikacjaThis paper presents the synthesis of two new (p-cymene)-ruthenium(II) complexes with the bidentate coumarin ligands. Both complexes were characterized by FTIR spectroscopy, 1H NMR, 13C NMR, MS, elemental analysis and DFT calculations. The X-ray structure of complex 3a was also solved. The cytotoxic properties of both complexes were examined on human leukemia NALM-6 and HL-60 cells and melanoma WM-115 cells. The complexes possess...
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Andrzej Okuniewski dr inż.
OsobyWykształcenie 2010-2014: Katedra Chemii Nieorganicznej, Wydział Chemiczny, Politechnika Gdańskadoktor nauk chemicznych (nauki chemiczne – chemia, chemia nieorganiczna) 2009-2010: Wydział Chemiczny, Politechnika Gdańskamagister chemii (chemia stosowana) 2005-2009: Wydział Chemiczny, Politechnika Gdańskainżynier chemik (chemia stosowana) 2002-2005: II Liceum Ogólnokształcące im. Władysława Pniewskiego w Gdańskuprofil biologiczno-chemiczno-fizyczny...
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(1H-Pyrazole-[kappa]N)bis(tri-tert-butoxysilanethiolato-[kappa]2O,S)cadmium
PublikacjaThe CdII atom in the title complex, [Cd(C12H27O3SSi)2-(C3H4N2)], is penta-coordinated by two O and two S atoms from the O,S-chelating silanethiolate residue and one pyrazole N atom in a distorted trigonal-bipyramidal geometry. The pyrazole ligand forms an intramolecular N-H---O hydrogen bond.
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The synthesis of 1,4,7,10-tetraazacyclododecanes with acetylsalicylic side arm as potential cobalt(II) fluorophores.
PublikacjaMonoacylowe pochodne 1,4,7,10-tetraazacyklododekanu otrzymano w bezpośredniej reakcji cyklenu z chlorkiem kwasu salicylowego, jak również przy użyciu trichronionego cyklenu. Monoacylową pochodną wykorzystano następnie w reakcji z fosforynem etylu otrzymując difunkcyjny związek. Otrzymane ligandy zbadano spektrofotometrycznie. Obydwa ligandy oddziaływują selektywnie z jonami Co(II), tworząc kompleksy o stechiometrii 2:1 i 1:1 (ligand:metal).
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Using Isolation Forest and Alternative Data Products to Overcome Ground Truth Data Scarcity for Improved Deep Learning-based Agricultural Land Use Classification Models
PublikacjaHigh-quality labelled datasets represent a cornerstone in the development of deep learning models for land use classification. The high cost of data collection, the inherent errors introduced during data mapping efforts, the lack of local knowledge, and the spatial variability of the data hinder the development of accurate and spatially-transferable deep learning models in the context of agriculture. In this paper, we investigate...
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Synthesis, Structure and Properties of Poly(ester-Urethane-Urea)s Synthesized Using Biobased Diamine
PublikacjaModern polymer science and technology is focused on the development of partial or fully green polymers. This focus is related to green chemistry trends, which propose using natural and renewable resources as monomers in the synthesis of polymers. In this study, biobased diamine was used as a chain extender of ester-urethane prepolymer. Obtained poly(ester-urethane-urea) contains 16 wt% of biobased diamine. There is mention of an...
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π-Stacking attraction vs. electrostatic repulsion: competing supramolecular interactions in a tpphz-bridged Ru(ii)/Au(iii) complex
PublikacjaThe synthesis and characterization of a mixed metal ruthenium(II)/gold(III) complex bridged by tetrapyridophenazine (tpphz) are described. It is isostructural and isoelectronic to the well-known photocatalysts with palladium(II) or platinum(II). Concentration dependent 1H-NMR spectroscopy and XRD studies show that the electrostatic repulsion between the gold(III) moieties exceeds the attractive π-stacking interaction. Theoretical...
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Effect of the Catalytic Center on the Electron Transfer Dynamics in Hydrogen-Evolving Ruthenium-Based Photocatalysts Investigated by Theoretical Calculations
PublikacjaThe light-induced relaxation pathways in the molecular photocatalyst [(tbbpy)2Ru(tpphz)PtCl2]2+ are investigated with time-dependent density functional theory calculations together with the Marcus theory of electron transfer (ET). The calculations show that metal (Ru) to ligand (tpphz) charge transfer (MLCT) triplet states are populated following an excitation in the longer wavelength range of the absorption spectrum, but that an...
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Acetate-Induced Disassembly of Spherical Iron Oxide Nanoparticle Clusters into Monodispersed Core−Shell Structures upon Nanoemulsion Fusion
PublikacjaIt has been long known that the physical encapsulation of oleic acid-capped iron oxide nanoparticles (OA−IONPs) with the etyltrimethylammonium (CTA+) surfactant induces the formation of spherical iron oxide nanoparticle clusters (IONPCs). However, the behavior and functional properties of IONPCs in chemical reactions have been largely neglected and are still not well-understood. Herein, we report an unconventional ligand-exchange...
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Study of the anticancer potential of Cd complexes of selenazoyl-hydrazones and their sulfur isosters
PublikacjaThe biological activity of Cd compounds has been investigated scarce since Cd has been recognized as a human carcinogen. However, the toxicity of cadmium is comparable to the toxicity of noble metals such as Pt and Pd. The paradigm of metal toxicity has been challenged suggesting that metal toxicity is not a constant property, yet it depends on many factors like the presence of appropriate ligands. Studies on anticancer activity...
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Topological behavior mimicking ethylene–hexene copolymers using branched lactones and macrolactones
PublikacjaPolyolefins are of paramount importance in the world of polymers due to their technological and economic potential.1 However, their nonpolar character significantly restricts the compatibility and adhesion properties, which consequently limits their versatility. Moreover, an intensified demand for materials from renewable resources can also become a problematic venture for the current polyolefin industry.2 Although Braskem and...
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Silanethiolates - synthesis, properties and structures.
PublikacjaW pracy wskazano podstawowe drogi syntezy oraz podano zwięzłą charakterystykę silanotiolanów - w większości związków kompleksowych posiadających jako główny ligand grupę silanotiolanową, na ogół (t-BuO)3SiS. Przy pomocy odpowiednio dobranych przykładów zilustrowano właściwości tych związków - wskazano ciekawsze elementy struktury molekularnej oraz specyficzne cechy spektralne.
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Antioxidant Activity, Phenolic Content, and Peroxide Value of Essential Oil and Extracts of Some Medicinal and Aromatic Plants Used as Condiments and Herbal Teas in Turkey
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Wdrażanie Lean Six Sigma w MŚP sektora produkcyjnego
PublikacjaW opracowaniu przedstawiono rozważania dotyczące wprowadzania metodyki Lean Six Sigma w sektorze małych i średnich przedsiębiorstw produkcyjnych. Zaprezentowano odwołującą się do kontekstu tej metodyki charakterystykę MŚP oraz zaproponowano 5 etapowy model implementacyjny uwzględniający czynniki wpływające na skuteczne i adekwatne do możliwości i potrzeb MŚP adaptowanie tego podejścia.