wyświetlamy 1000 najlepszych wyników Pomoc
Wyniki wyszukiwania dla: chemical structure
-
Structures, physicochemical and cytoprotective properties of new oxidovanadium(IV) complexes -[VO(mIDA)(dmbipy)]·1.5H 2 O and [VO(IDA)(dmbipy)]·2H 2 O
Publikacja -
Synthesis, characterization and photophysical properties of novel 5,7-disubstituted-1,4-diazepine-2,3-dicarbonitriles
Publikacja -
Crystallographic and spectroscopic studies of 5-arylidene-2-amino-imidazol-4-ones
Publikacja -
Crystallographic studies of (Z) and (E) isomers of 2-amino-5-(2-chlorobenzylidene)-1-methyl-1H-imidazol-4(5H)-one
Publikacja -
Spectroscopic, thermal and equilibrium characterization of U(VI) ions sorption on inulin in the presence of phosphates
Publikacja -
Infrared study of the orientational order of the mesogen in discotic phases of hexapentyloxytriphenylene and hexaheptyloxytriphenylene
Publikacja -
Calculation of vibrational spectra for cyanobiphenyl liquid crystals
Publikacja -
IR–Raman, NMR and density functional methods in the examination of tautomerism and features of N-methyl substituted 9-acridinamine derivatives
Publikacja -
Lattice dynamics of Mg2SiO4
Publikacja -
Application of probabilistic tools to extend load test design of bridges prior to opening
PublikacjaLoad tests of bridges are widely performed in a large number of countries. Deterministic comparison of measurement results to the theoretical, FEM (finite element method)-based outcomes with possible further calibration is mostly applied. Sometimes, the data collected in the tests are also used to calibrate the reliability factors of bridge structures or their components. This work proposes to complement the stage of the load test...
-
Donor properties of water in organic solvents derived from infrared spectraof HDO
PublikacjaPrzedyskutowano niektóre ilościowe aspekty kooperatywności wiązań wodorowych wody. Zaproponowano skalę własności elektronodonorowych wody w środowisku aprotycznych rozpuszczalników organicznych, pochodną w stosunku do skali liczb donorowych Gutmanna.
-
Synthesis and in silico characterization of artificially phosphorylated glycosaminoglycans
Publikacja -
Deprotonation of N-phenacyl- and N-acetonyl-4-cyanopyridinium halides with 1,4-diazabicyclo[2,2,2]octane
Publikacja -
Kinetic studies of complexation reaction of polyoxaalkyl phosphates with Fe(III) in ethanol
Publikacja -
Structure and electrochemical behaviour of 4,7-diazaheptyl-trimethoxy-silane and vinyl-trialkoxy-silane adsorbed at silver surface
Publikacja -
Kinetics and mechanism of the dehydrohalogenation of Ar2CHCX3 and Ar2CHCHX2 by strong N-bases
Publikacja -
Pyridylmethylsilanes as dicarboxyacid receptors: Experimental and theoretical study
Publikacja -
Proton transfer reaction from some C–H acids to N-bases in polar aprotic solvents
Publikacja -
Studies on the complex formation between lactams and thiolactams of sparteine with copper(II) cation
Publikacja -
NMR study of the complexes of tris(oxaalkyl) borates with SbCl5
Publikacja -
Generation and stability of N-phenacyl-4-R-pyridinium ylides in silicon polypodands
Publikacja -
FTIR and NMR studies of bis(oxaalkyl) sulphates(IV) and their complexes with proton and some metal cations
Publikacja -
Solvent effects for proton transfer reaction from dimethyl(4-nitrophenyl)malonate to cis 1,2-bis(diethylaminomethyl)cyclohexane
Publikacja -
Kinetic and equilibrium studies of the proton and deuteron transfer reaction between bis(2,4-dinitrophenyl)methane and strong nitrogen bases in acetonitrile
Publikacja -
Proton transfer reactions from some diarylcyanomethanes to cis 1,2-bis(diethylaminomethyl)cyclohexane in acetonitrile
Publikacja -
The reaction heats and PM5 semiempirical studies of complexes formed between silicon podand and monovalent cations
Publikacja -
Studies of complexation of metal cations by tris(3,6-dioxaheptyl)amine in solution
Publikacja -
Potentiometric and AM1d studies of silicon podands—silver(I) complexes
Publikacja -
Potentiometric and AM1d studies of silicon and phosphorous podands-silver (I) complexes
Publikacja -
Kinetic and equilibrium studies of the reaction of 2,4-dinitrophenyl-2,4,6-trinitrophenylmethane with cryptands in acetonitrile
Publikacja -
15 N NMR and FTIR studies of 2,4-dinitroanilines and their salts
Publikacja -
B-podand complexes with sodium ions: the reaction heats and PM5 semiempirical calculation
Publikacja -
The reaction heats and PM5 semiempirical studies of complexes formed between silicon podand and Li+ cations
Publikacja -
FTIR, NMR and kinetic studies of proton transfer reactions from nitro-substituted diarylmethanes to N-bases with guanidine character
Publikacja -
Studies of the complex formation between some proton sponges and Cu(II) cations
Publikacja -
The reaction of substituted N-phenacyl-pyridinium bromides in the pyridine ring with DABCO and DBU in water and DMSO. Kinetics and DFT studies
Publikacja -
Potentiometric and AM1d studies of silicon and boron podands—silver (I) complexes
Publikacja -
Proton transfer reactions from NH acid to various N-bases in acetonitrile
Publikacja -
Synthesis, structure, DNA binding and anticancer activity of mixed ligand ruthenium(II) complex
PublikacjaIn order to obtain a potential chemotherapeutic which is not affected on the normal BALB/3T3 cell line, a new arene ruthenium(II) complex {[RuCl(L1)(η6-p-cymene)]PF6}2 · H2O has been synthesized by a direct reaction of precursor, [{(η6-p-cymene)Ru(μ-Cl)}2Cl2], with N,N-chelating ligand (L1 - 2,2′-bis(4,5-dimethylimidazole). The compound has been fully characterized by elemental analysis, X-ray diffraction, IR, UV–Vis and 1H, 13C...
-
The synthesis and structure of a potential immunosuppressant: N-mycophenoyl malonic acid dimethyl ester
PublikacjaThe synthesis of a potential immunosuppressant, i.e. dimethyl ester of N-mycophenoyl malonic acid was optimized in the reaction of mycophenolic acid (MPA) with amino malonic dimethyl ester in the presence of propanephosphonic anhydride (T3P) as a coupling reagent. The structural properties of the obtained MPA derivative were investigated by NMR, MS and single crystal X-ray diffraction methods. Theoretical considerations of conformational...
-
C-1311 (Symadex), a potential anti-cancer drug, intercalates into DNA between A and G moieties. NMR-derived and MD-refined stereostructure of the d(GAGGCCTC) 2 :C-1311 complex
PublikacjaImidazoacridinone C-1311 (Symadex®) is an antitumor agent which has been recommended for Phase II clinical trials a few years ago. Previously, it was shown experimentally that during the initial stage of its action C-1311 forms stable intercalation complexes with DNA duplexes. Herein, a NMR-derived stereostructure of d(GAGGCCTC)2:C-1311 complex was reported. The ligand was found locating itself between A and G moieties, forming...
-
1,3,4-Thiadiazole-based diamides: Synthesis and complexation properties
PublikacjaAromatic diamides, derivative of 2,6-pyridinedicarboxylic acid and isophthalic acid, bearing 1,3,4-thiadiazole residue were prepared with satisfactory yields in conventional procedures and microwave stimulated reactions. X-ray structure of N,N-bis (1,3,4-thiadiazol-2-yl)-2,6-pyridinedicarboxamide (2) DMSO solvate (2DMSO) was described. Selective zinc(II), lanthanum(III), terbium(III) and L-tyrosine recognition was found for N,N-bis(1,3,4-thiadiazol-2-yl)-2,6-pyridinedicarboxamide...
-
Copper-based 2D-coordination polymer as catalyst for allylation of aldehydes
PublikacjaA copper-tartrate, [Cu2(Tart)2(H2O)2]·4H2O, was synthesized at room temperature in aqueous media using copper chloride and D-tartaric acid. The compound crystallizes in the monoclinic system P21 space group and was characterized by infrared spectroscopy, thermogravimetry, X-ray powder diffraction and the results are in good agreement with the single crystal...
-
Synthesis, crystal structure and cytotoxic activity of ruthenium(II) piano-stool complex with N,N-chelating ligand
PublikacjaA mononuclear compound of the general formula [(η6-p-cymene)RuIICl(2,2′-PyBIm)]PF6 has been synthesized from a bidentate N,N-donor ligand, viz. 2,-(2′-pyridyl)benzimidazole (2,2′-PyBIm) and the corresponding chloro-complex [(η6-p-cymene)Ru(μ-Cl)Cl]2 (precursor). The isolated coordination compound was characterized by IR, UV–vis and 1H, 13C NMR spectroscopies. The single crystal X-ray analysis of the complex reveals that the asymmetric...
-
Rotation Triggers Nucleotide-Independent Conformational Transition of the Empty β Subunit of F1-ATPase
PublikacjaF1-ATPase (F1) is the catalytic portion of ATP synthase, a rotary motor protein that couples proton gradients to ATP synthesis. Driven by a proton flux, the F1 asymmetric γ subunit undergoes a stepwise rotation inside the α3β3 headpiece and causes the β subunits’ binding sites to cycle between states of different affinity for nucleotides. These concerted transitions drive the synthesis of ATP from ADP and phosphate. Here, we study...
-
A spectroscopic study of the cis/trans-isomers of penta-2,4-dienoic acid attached to gold nanoclusters
PublikacjaIn 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...
-
Comparison of simplified sum-over-state expressions to calculate resonance Raman intensities including Franck-Condon and Herzberg-Teller effects
PublikacjaSum-over-state (SOS) expressions to simulate absorption spectroscopy and resonance Raman (RR) scattering including Franck-Condon (FC) and Herzberg-Teller (HT) effects are described. Starting from the general SOS method, several simplified SOS formulae are derived. In particular, within the so-called independent mode displaced harmonic oscillator model, it is shown that including the vibronic structure in the absorption and RR spectra...
-
Distance measurement by the low coherent interferometer
Dane BadawczeThe obtained data was acquired by the interferometric fiber-optic sensor of distance. The setup was constructed of a broadband light source working at the central wavelength of 1560 nm, an optical spectrum analyzer and a fiber-optic 2x1 coupler (with the power split 50:50). All elements were connected by standard single-mode optical fibers. The measurement...
-
A review on electrospun membranes for potential air filtration application
PublikacjaAir pollution is one of the major environmental concerns in most highly populated cities, which is typically caused by particulate (PM2.5 and PM0.1) or gaseous pollutants that can be removed using electrospun membranes. These membranes are characterized by different features in terms of uniform and controllable structure, tuneable porosity, and high surface area, where their separation efficiency strongly depends on their properties....
-
Volumes of N,N-dimethylacetamide solvated metal cations. Variation within the manganese(II) to zinc(II) series
PublikacjaDensities 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...