Filters
total: 694
Search results for: ATOM WODOROPODOBNY
-
Monosubstituted hydrazone β-cyclodextrin derivatives for pH-sensitive complex formation with aromatic drugs
PublicationA new and convenient synthetic pathway was developed to produce monosubstituted cyclodextrins with high yields. Each of the β-cyclodextrin derivatives described in this work has an aromatic substituent connected with cyclodextrin core by a pH-sensitive hydrazone linker and a carbon chain. Carbon chains differ in lengths having one or three carbon atoms. The correlation between water solubility and linker length was determined using...
-
Cobalt(II) tri-tert-butoxysilanethiolates with bidentate spacer ligands
PublicationOtrzymano szereg nowych tri-tert-butoksysilanotiolanów Co(II) z dwudonorowymi N,N'-ligandami takimi jak pirazyna, chinoksalina i 4,4'-bipy. W przypadku pirazyny i chinoksaliny otrzymane kompleksy są bimetaliczne, w których atomy metali połączone są odpowiednią aminą. Użyty do syntezy 4,4'-bipy pozwolił na otrzymanie dwóch odmian polimorficznych kompleksu {[Co{SSi(tBuO)3}2]2(μ-4,4'bipy)}, a także polimeru koordynacyjnego o wzorze...
-
A spectroscopic study of the cis/trans-isomers of penta-2,4-dienoic acid attached to gold nanoclusters
PublicationIn this theoretical work, we present a spectroscopic analysis of the cis/trans-isomers of a molecular switch, penta-2,4-dienoic acid, attached to gold clusters of different size (1, 2 and 20 gold atoms). We have simulated 4 different spectroscopic techniques: Infrared spectroscopy, normal Raman scattering, absorption spectra and resonance Raman scattering. We discuss how the position and the conformation of the molecule determine...
-
Binuclear Co(II), Zn(II) and Cd(II) tri-tert-butoxysilanethiolates. Synthesis, crystal structure and spectroscopic studies.
PublicationA series of Co(II), Zn(II) and Cd(II) complexes have been synthesized in reaction of respective metal tri-tert-butoxysilanethiolates with pyrazine 1 and 2 and 1,2-bis(2-pyridyl)ethylene 3–5. All compounds have been characterized by single-crystal X-ray structure determination, elemental analysis, FT-IR and thermogravimetry. Obtained complexes are bimetallic with the formula of [M{SSi(OtBu)3}2(μ-L)]2 and metal ions bridged by N,N′-spacer....
-
Graphene Production and Biomedical Applications: A Review
PublicationGraphene is a two-dimensional nanomaterial composed of carbon atoms with sp2 hybrid orbitals. Both graphene and graphene-based composite have gained broad interest among researchers because of their outstanding physiochemical, mechanical, and biological properties. Graphene production techniques are divided into top-down and bottom-up synthesis methods, of which chemical vapor deposition (CVD) is the most popular. The biomedical...
-
Structural Analysis of a Peptide Fragment of Transmembrane Transporter Protein Bilitranslocase
Publication -
Composition and distribution of meiofauna, including nematode genera, in two contrasting Arctic beaches.
PublicationPraca dotyczy porównania zbiorowiska meiofauny, ze szczególnym uwzględnieniem nicieni, na dwóch różnych plażach Arktycznych. Badania prowadzono na Wyspie Niedzwiedziej należącej do archipelagu Svalbard.
-
Density functional theory-based simulations of sum frequency generation spectra involving methyl stretching vibrations: effect of the molecular model on the deduced molecular orientation and comparison with an analytical approach
PublicationThe knowledge of the first hyperpolarizability tensor elements of molecular groups is crucial for a quantitative interpretation of the sum frequency generation (SFG) activity of thin organic films at interfaces. Here, the SFG response of the terminal methyl group of a dodecanethiol (DDT) monolayer has been interpreted on the basis of calculations performed at the density functional theory (DFT) level of approximation. In particular,...
-
Solvent Impact on the Diversity of Products in the Reaction of Lithium Diphenylphosphide and a Ti(III) Complex Supported by a tBu2P–P(SiMe3) Ligand
PublicationWe present two important trends in the reactivity ofthe titanium complex [MeNacNacTi(Cl){η2-P(SiMe3)-PtBu2}](MeNacNac− = [Ar]NC(Me)CHC(Me)N[Ar]; Ar = 2,6-iPr2Ph)with nucleophilic reagents RLi (R = Ph2P,tBuO, (Me3Si)2N, andtBu2N) depending on the reaction medium. Reaction in nonpolarsolvent (toluene) leads to three main products: via an autoredoxprocess and nucleophilic substitution at the Ti-atom to afford theTi(IV) complex [MeNacNacTi(R){η2-P-PtBu2}]...
-
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...
-
Ranking of Heterogeneous Catalysts Metals by Their Greenness
PublicationCatalysis is very important process in industry and laboratory practice, especially from the point of green chemistry principles. However, eco-friendly character of heterogeneous catalysts, containing transition metal components has not been evaluated, yet. Therefore, we perform a comprehensive assessment of 18 heterogeneous metal catalysts (Pd, Pt, V, Co, Ni, Mo, Ru, Mn, Au, Cu, Cd, Zr, Fe, Rh, Ir, Sn, Zn, Ag) using multicriteria...
-
Mechanism of recognition of parallel G-quadruplexes by DEAH/RHAU helicase DHX36 explored by molecular dynamics simulations
PublicationBecause of high stability and slow unfolding rates of G-quadruplexes (G4), cells have evolved specialized helicases that disrupt these non-canonical DNA and RNA structures in an ATP-dependent manner. One example is DHX36, a DEAH-box helicase, which participates in gene expression and replication by recognizing and unwinding parallel G4s. Here, we studied the molecular basis for the high affinity and specificity of DHX36 for parallel-type...
-
The new diphosphanylphosphido complexes of tungsten(VI) and molybdenum(VI). Their synthesis, structures and properties
PublicationWe report on the reactivity of R2P–P(Li)–PR’2 (R = tBu, iPr, R’ = NEt2, iPr) towards diimido complexes [(dippN)2MCl2·dme] (M = Mo, W and dipp = 2,6-iPr2C6H3). A series of new complexes with diphosphanylphosphido ligands R2P–P–PR’2 were isolated. The solid-state structures of [(dippN)2M(Cl)(1,2-η-iPr2P–P– PiPr2)] (2Mo and 2W) and [(dippN)2M(Cl){1,2-η-tBu2P–P–P(NEt2)2}] (3Mo and 3W) were established by single-crystal X-ray diffraction...
-
Charge Distribution and Hyperfine Interactions in GdBa2Cu3O7 from First Principles
PublicationW rozdziale przedstawiono wyniki obliczeń "z zasad pierwszych" (''ab initio'') struktury elektronowej, rozkładu ładunku i struktury nadsubtelnej, w szczególności gradientu pola elektrycznego (EFG) i składnika kontaktowego pola nadsubtelnego (HFF), nadprzewodnika wysokotemperaturowego o wzorze GdBa2Cu3O7 (Gd123). Do obliczeń wykorzystano metodę FP-LAPW (full-potential linearized augmented plane wave). Efekty związane z oddziaływaniami...
-
Supervised-learning-based development of multi-bit RCS-reduced coding metasurfaces
PublicationCoding metasurfaces have been introduced as efficient tools allowing meticulous control over the electromagnetic (EM) scattering. One of their relevant application areas is radar cross section (RCS) reduction, which principally relies on the diffusion of impinging EM waves. Despite its significance, careful control of the scattering properties poses a serious challenge at the level of practical realization. This article is concerned...
-
Spin-Resolved Band Structure of Hoffman Clathrate [Fe(pz)2Pt(CN)4] as an Essential Tool to Predict Optical Spectra of Metal–Organic Frameworks
PublicationParamount 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...
-
On instabilities and post-buckling of piezomagnetic and flexomagnetic nanostructures
PublicationWe focus on the mechanical strength of piezomagnetic beam-like nanosize sensors during post-buckling. An effective flexomagnetic property is also taken into account. The modelled sensor is selected to be a Euler-Bernoulli type beam. Long-range interactions between atoms result in a mathematical model based on the nonlocal strain gradient elasticity approach (NSGT). Due to possible large deformations within a post-buckling phenomenon,...
-
Formation of carbon monoxide by radiative association: a quantum dynamical study
PublicationRate coefficients for the formation of carbon monoxide (CO) by radiative association of carbon and oxygen atoms are computed using quantum dynamical simulations. At temperatures above 10 K CO radiative association is dominated by C(3P) and O(3P) approaching on the A1Π potential energy curve. The rate coefficient is estimated as k=A(T/300 K)αexp−β/T with A= 1.39 × 10−18 cm3 s−1, α=−0.016 and β= 92.2 for temperatures between 6 and...
-
Effectiveness of toluene separation from gas phase using supported ammonium ionic liquid membrane
PublicationAmmonium ionic liquids (ILs) are relatively cheap in synthesis and environmentally benign and despite that they have been very rarely used in gas separation. In this research we used several ammonium ILs as liquid membranes for removal of residual toluene from gas phase. Ionic liquids used in this study were composed of bis(trifluoromethylsulfonyl)imide anion [Tf2N] and trimethylbutylammonium [N1114], trietylbutylammonium [N2224],...
-
Recent progress in the development of steroid sulfatase inhibitors – examples of the novel and most promising compounds from the last decade
PublicationThe purpose of this review article is to provide an overview of recent achievements in the synthesis of novel steroid sulfatase (STS) inhibitors. STS is a crucial enzyme in the biosynthesis of active hormones (including estrogens and androgens) and, therefore, represents an extremely attractive molecular target for the development of hormone-dependent cancer therapies. The inhibition of STS may effectively reduce the availability...
-
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
PublicationTytułowy 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...
-
Energy deposition on the inner surface of a Hall Effect thruster for satellite
PublicationHET - Hall Effect Thruster, to silnik powszechnie wykorzystywany w kosmonautyce do pozycjonowania satelitów. Medium dostarczającym ciąg silnikowi jest zjonizowany gaz. Praca przedstawia wyniki trzech symulacji komputerowych: 1. Modelowanie sondy Langmuira zanurzonej w plazmie ksenonowej o warunkach zbliżonych do tych panujących w silniku HET. Symulacje wykonano metodą metodą Particle-in-Cell Monte Carlo. Celem była analiza oddziaływania...
-
Optical recognition elements: macrocyclic imidazole chromoionophores entrapped in silica xerogel
PublicationMaterials containing new chromoionophores consisting of crown residue and azole moiety as partsof macrocycles were encapsulated by the sol-gel procedure in silica xerogel matrices and proposed aschemical recognition elements especially for such metal ions as Li+, Cs+ and Cu2+. Action of these recognition elements is in principle based on changes of reflectance. The recognition elements containing 21-membered chromogenic...
-
Non-metaldoped TiO2 nanotube arrays for high efficiency photocatalytic decomposition of organic species in water
PublicationTitanium dioxide is a well-known photoactive semiconductor with a variety of possible applications. The procedure of pollutant degradation is mainly performed using TiO2 powder suspension. It can also be exploited an immobilized catalyst on a solid support. Morphology and chemical doping have a great influence on TiO2 activity under illumination. Here we compare photoactivity of titania nanotube arrays doped with non-metal atoms:...
-
Superexcited states in the vacuum-ultraviolet photofragmentation of isoxazole molecules
PublicationThe photofragmentation of isoxazole molecules producing excited atomic and molecular fragments has been investigated over the energy range 16-50 eV, using photon-induced fluorescence spectroscopy. The following fragments have been identified by their fluorescence: the excited hydrogen atoms H(n), n = 3-7 and the diatomic CH(A2Δ, B2Σ−), CN(B2Σ+) and C2(d3Πg) fragments. The diatomic fragments are vibrationally and highly rotationally...
-
MgPdSb─An Electron-Deficient Half-Heusler Phase
PublicationThe half-Heusler family consists of many semiconducting intermetallic compounds, virtually all of them having a valence electron count (VEC) of 18. We have studied an electron-deficient (VEC = 17) phase MgPdSb and its Pd-stuffed variant MgPd1.25Sb. The cubic F4̅3m crystal structure was confirmed by the Rietveld refinement of powder X-ray diffraction (XRD) data. The lattice parameter is a = 6.284 and 6.335 Å for MgPdSb and MgPd1.25Sb,...
-
Hydrogen Production Mechanism in Low-Temperature Methanol Decomposition Catalyzed by Ni3Sn4 Intermetallic Compound: A Combined Operando and Density Functional Theory Investigation
PublicationHydrogen production from methanol decomposition to syngas (H2 + CO) is a promising alternative route for clean energy transition. One major challenge is related to the quest for stable, cost-effective, and selective catalysts operating below 400 °C. We illustrate an investigation of the surface reactivity of a Ni3Sn4 catalyst working at 250 °C, by combining density functional theory, operando X-ray absorption spectroscopy, and high-resolution...
-
Strong-coupling superconductivity of SrIr2 and SrRh2 : Phonon engineering of metallic Ir and Rh
PublicationExperimental and theoretical studies on superconductivity in SrIr2 and SrRh2 Laves phases are presented. The measured resistivity, heat capacity, and magnetic susceptibility confirm the superconductivity of these compounds with Tc = 6.07 and 5.41 K, respectively. Electronic structure calculations show that the Fermi surface is mostly contributed by 5d (4d) electrons of Ir (Rh), with Sr atoms playing the role of electron donors....
-
Structure and transport properties of donor-doped barium strontium cobaltites
PublicationIn this work, Nb-substituted barium strontium cobaltites Ba0.5Sr0.5Co1-xNbxO3-δ (x = 0 – 0.4) have been fabricated and studied. The structural analysis showed that the Nb content influences the lattice constant as well as the distance between the (Co, Nb) and oxygen atoms. The study of morphology of samples showed that the Nb content does not change the porosity, grain size and morphology of the ceramics. The total electrical conductivity...
-
Lower rim substituted tert-butyl calix[4]arene (part VII): ionophoric properties of calix[4]arene-crown-6 derivatives in plasticized PVC-membrane electrodes and in solution.
PublicationW pracy przedstawiono syntezę i charakterystykę otrzymanych produktów (2-9), pochodnych p-tert-butylokaliks[4]-korony-6. Zdolności kompleksujące tych związków badano w elektrodach jonoselektywnych, stosując te związki jako jonofory w plastyfikowanej membranie PCW.Wyznaczono wartości stałych trwałości kompleksów z jonami metali I grupy. Stwierdzono, że selektywność kompleksowania zależy od rozmiaru i natury podstawnika wprowadzonego...
-
Witold Parteka Dr
PeopleWykształcenie: Uniwersytet Gdański - Wydział Filologiczno-Historyczny – kierunek historia specjalność nauczycielska – dyplom (20 czerwiec 1997) – mgr historii Akademia Pomorska w Słupsku Wydział Filologiczno-Historyczny, Instytut Historii –– 21 październik 2009 - dr nauk humanistycznych w zakresie historii. Temat doktoratu: Szkolnictwo oficerskie Polskiej Marynarki Handlowej w latach 1945-1968 Zainteresowania badawcze: historia...
-
Massively parallel linear-scaling Hartree–Fock exchange and hybrid exchange–correlation functionals with plane wave basis set accuracy
PublicationWe extend our linear-scaling approach for the calculation of Hartree–Fock exchange energy using localized in situ optimized orbitals [Dziedzic et al., J. Chem. Phys. 139, 214103 (2013)] to leverage massive parallelism. Our approach has been implemented in the ONETEP (Order-N Electronic Total Energy Package) density functional theory framework, which employs a basis of non-orthogonal generalized Wannier functions (NGWFs) to achieve...
-
Biowodór, „paliwo przyszłości”, dotychczasowe metody otrzymywania , porównanie metod otrzymywania
PublicationWodór jest ważnym pierwiastkiem w przemyśle chemicznym. Biowodór wydaje się być użytecznym odnawialnym nośnikiem energii, który mógłby zastąpić paliwa kopalne. Największym problemem wodoru jest jego rzadkie występowanie w czystej formie molekularnej H 2 . Dlatego otrzymanie biowodoru w objętościach opłacalnych ja ko surowiec czy biopaliwo wiedzie przez bioodpady „przesycone” wodorem. Każdy związek...
-
Gniazda przedsiębiorczości w polskim modelu miasta krawędziowego
PublicationOstatnie dwie dekady w Polsce to okres dynamicznego rozwoju zarówno sektora małych i średnich przedsiębiorstw, jak i przeobrażeń przestrzeni wokół miast. Rozwój ten nastąpił w okresie transformacji gospodarki po 1989 roku. Przemieszczanie się ludności i podmiotów gospodarczych z miasta centralnego spowodowało, że w niektórych polskich strefach podmiejskich wytworzyły się struktury terytorialne, które określamy jako gniazda przedsiębiorczości....
-
Time-of-flight electron scattering from molecular hydrogen: Benchmark cross sections for excitation of the X1Σ+g→b3Σ+u transition
PublicationThe electron impact X1Σ+g to b3Σ+u transition in molecular hydrogen is one of the most important dissociation pathways to forming atomic hydrogen atoms, and is of great importance in modeling astrophysical and industrial plasmas where molecular hydrogen is a substantial constituent. Recently it has been found that the convergent close-coupling (CCC) cross sections of Zammit et al. [Phys. Rev. A 95, 022708 (2017)] are up to a factor...
-
Copper(II) complexes of 7-amino-2-methylchromone and 7-aminoflavone: Magneto-structural, spectroscopic and DFT characterization
PublicationFour new complexes of copper(II) consisting of two different chromone derivatives with carbonyl and amine donor atoms: 7-aminoflavone (L1) and 7-amino-2-methylchromone (L2), were synthesized and characterized by X-ray diffraction, UV–Vis, FT-IR, EPR spectroscopy, MS and elemental analysis. In all four compounds, the chromone derivatives were found to act as monodentate O- or N-ligands. The structural characteristics of 1a and...
-
Chromogenic azole diazothiacrown ethers
PublicationZsyntezowane zostały etery koronowe zawierające atomy siarki, dwa ugrupowania azowe oraz fragment pirolu lub imidazolu w makropierścieniu.Zbadana została zdolność zsyntezowanych związków makrocyklicznych pod kątem kompleksowania jonów metali metodą spektrofotometrii UV-vis.Największe zmiany spektralne zaobserwowano pod wpływem jonów ołowiu, miedzi, cynku, niklu, kobaltu oraz srebra.W przypadku jonów metali I i II grupy układu okresowego...
-
Dissociation and fragmentation of furan by electron impact
PublicationDissociation and fragmentation processes that produce electronically excited atomic and molecular fragments, following electron impact excitation, have been studied in furan. The optical excitation technique has been employed over the electron incident energy range 15-95 eV. Formation of excited hydrogen atoms H(n) in the n = 4-10 states has been detected by observation of the Balmer series. The diatomic CH fragments are formed...
-
Synthesis and reactivity of 2,2,4,4-Tetrakis(tri-tertbutoxysilane-thiolato)-1,3,2,4-dithiadistannetane - crystal and molecular structures of two polymorphic forms
PublicationTytułowy związek [Sn(μ-S){SSi(OtBu)3}2]2 (1), zawierający dwa, 4-koordynacyjne atomy cyny, krystalizuje w dwóch odmianach polimorficznych. Forma ortorombowa-1a, została otrzymana w reakcji (tBuO)3SiSH i Et3N z SnCl2, podczas gdy forma trójskośna-1b, w reakcji z SnCl4 jako substratem. Struktura krystaliczna i cząsteczkowa obydwu odmian polimorficznych została wyznaczona przez badania metodą Rentgenowskiej Analizy Strukturalnej,...
-
Evaluating experimental molecular physics studies of radiation damage in DNA*
PublicationThe field of Atomic and Molecular Physics (AMP) is a mature field exploring the spectroscopy, excitation, ionisation of atoms and molecules in all three phases. Understanding of the spectroscopy and collisional dynamics of AMP has been fundamental to the development and application of quantum mechanics and is applied across a broad range of disparate disciplines including atmospheric sciences, astrochemistry, combustion and environmental...
-
Supramolecular Synthesis Based on a Combination of Se···N Secondary Bonding Interactions with Hydrogen and Halogen Bonds
PublicationExamination of the solid state structures of 2,1,3-benzoselenadiazole complexes with hydrogen or halogen bond donors has demonstrated that the 2,1,3-benzoselenadiazole molecules preferably form centrosymmetric dimers with use of [Se–N]2 supramolecular synthon, whereas the two remaining nitrogen atoms not involved in the [Se–N]2 supramolecular interactions can act as acceptors of hydrogen or halogen bonds. Cocrystallization of selenadiazoles...
-
Synergistic effects of nitrogen-doped carbon and praseodymium oxide in electrochemical water splitting
PublicationHybrid materials featuring perovskite-type metal oxide in conjunction with heteroatom-doped graphene hold immense promise as alternatives to costly noble metal catalysts for electrochemical water splitting, facilitating the generation of environmentally friendly hydrogen. In this study, perovskite-type oxide containing praseodymium, barium, strontium, cobalt, and iron atoms dispersed in a carbon matrix as a catalyst is synthesized...
-
Decoding of the FSK signal with noise and distortion with the use of coefficients of the time-frequency transform.
PublicationStreszczenie: Przeanalizowano sygnał z modulacją FSK wykorzystując metodę transformacji czasowo-częstotliwościowej różniące się sposobem podziału płaszczyzny TF na atomy: krótko-okresowej transformacji Fouriera, transformacji falkowej i transformacji pakietami falkowymi. Transformacja falkowa zapewnia dobrą lokalizację czasową zakłóceń o wielkiej częstotliwości, podczas gdy transformacja pakietami falkowymi zapewnia dobrą lokalizację...
-
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)...
-
Nanoparticles preparation using microemulsion systems
PublicationMetallic nanoparticles become of current interests because they exhibit unique properties compared with those of metal atoms or bulk metal due to the quantum size effect and their large surface area, which make them attractive for applications in optics, electronics, catalysis biology and medicine. TiO2 has been used for environmental remediation purposes such as in the purification of water and air and also solar-to chemical energy...
-
Amplitude-distance spectroscopy in semi-contact mode
Open Research DataSince it was invented by Binnig et al. in 1986, atomic force microscopy (AFM) plays a key role in science and technology at the nanoscale. AFM is a microscopic technique that visualizes the surface topography using the attractive and repulsive forces of interaction between several atoms (in theory) of a blade attached to the end of the probe lever and...
-
5-Selenocyanato and 5-trifluoromethanesulfonyl derivatives of 2′-deoxyuridine: synthesis, radiation and computational chemistry as well as cytotoxicity
Publication5-Selenocyanato-2′-deoxyuridine (SeCNdU) and 5-trifluoromethanesulfonyl-2′-deoxyuridine (OTfdU) have been synthesized and their structures have been confirmed with NMR and MS methods. Both compounds undergo dissociative electron attachment (DEA) when irradiated with X-rays in an aqueous solution containing a hydroxyl radical scavenger. The DEA yield of SeCNdU significantly exceeds that of 5-bromo-2′-deoxyuridine (BrdU), remaining...
-
Novel 2-(2-arylmethylthio-4-chloro-5-methylbenzenesulfonyl)-1-(1,3,5-triazin-2-ylamino)guanidine derivatives: Inhibition of human carbonic anhydrase cytosolic isozymes I and II and the transmembrane tumor-associated isozymes IX and XII, anticancer activity, and molecular modeling studies
PublicationA series of novel 2-(2-arylmethylthio-4-chloro-5-methylbenzenesulfonyl)-1-(6-substituted-4-chloro-1,3,5-triazin-2-ylamino)guanidine derivatives 9–20 have been synthesized by substitution of chlorine atom at the 1,3,5-triazine ring in compounds 5–8 with 3- or 4-aminobenzenesulfonamide and 4-(aminomethyl)benzenesulfonamide hydrochloride. All the synthesized compounds were evaluated for their inhibitory activity toward hCA I, II,...
-
Nonconventional 1,8-Diazafluoren-9-One Aggregates for Green Light Enhancement in Hybrid Biocompatible Media
PublicationOrganic aggregates currently play a prominent role, mainly for their unique optoelectronic properties in the aggregated state. Such properties can be related to the aggregates’ structure and the molecular packing mode. In the literature, we have well-established models of H and J aggregates defined based on the molecular exciton model. However, unconventional aggregates, the most unrecognized forms, have been generating interest...
-
New Peptide Based Fluconazole Conjugates with Expanded Molecular Targets
PublicationInfections of Candida spp. etiology are frequently treated with azole drugs. Among azoles, the most widely used in the clinical scenario remains fluconazole (FLC). Promising results in treatment of dangerous, systemic Candida infections demonstrate the advantages of combined therapies carried out with combinations of at least two different antifungal agents. Here, we report five conjugates composed of covalently linked FLC and...