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91.
Noemí Andrade-López Tracy A. Hanna José G. Alvarado-Rodríguez Adriana Luqueño-Reyes Bernat A. Martínez-Ortega Daniel Mendoza-Espinosa 《Polyhedron》2010
Cis-diaquobis{di-(2-pyridyl)-N-ethylimine}nickel(II) chloride (2) was obtained from the reaction of di-(2-pyridyl)-N-ethylimine (1) and [NiCl2dppe] [dppe = cis-1,2-bis(diphenylphosphino)ethylene] in a 2:1 ratio in hot acetonitrile. Cis-dichloro{di-(2-pyridyl)-N-ethylimine}palladium(II) (3) and cis-dichloro{di-(2-pyridyl)-N-ethylimine}platinum(II) (4) complexes were obtained from the reaction of MCl2 (M = Pd, Pt) and (1) in equimolar ratio in hot acetonitrile. Compounds 1–4 were characterized by IR spectroscopy, elemental analysis, and mass spectrometry; the complexes 3 and 4 were characterized in solution by NMR. In addition, solid state structures of compounds 1–4 were determined using single crystal X-ray diffraction analyses. X-ray diffraction data of the complexes 3 and 4 showed a distorted square planar local geometry at palladium and platinum atoms with the chlorine atoms in a cis-coordination; in 2 a local octahedral geometry at nickel atom was observed. Complexes 3 and 4 are arranged as dimers with a M?M distance of 3.4567(4) Å (M = Pd) and 3.4221(4) Å (M = Pt), respectively; 2 consists of units linked by intermolecular hydrogen bonding. 相似文献
92.
It is well established that prolonged exposure of solutions of macromolecules to high-energy ultrasonic waves produces a permanent reduction in viscosity. It is generally agreed as well and also this study proved the hydrodynamic forces to have the primary importance in degradation. According to this study the sonolytic degradation of aqueous carboxymethylcellulose polymer or polymer mixtures is mainly depended on the initial dynamic viscosity of the polymer solution when the dynamic viscosity values are in the area range enabling intense cavitation. The higher was the initial dynamic viscosity the faster was the degradation. When the initial dynamic viscosities of the polymer solutions were similar the sonolytic degradation was dependent on the molecular mass and on the concentration of the polymer. The polymers with high molecular mass or high polymer concentration degraded faster than the polymers having low molecular mass or low polymer concentration. The initial dynamic viscosities were adjusted using polyethyleneglycol. 相似文献
93.
Ryding MJ Ruusuvuori K Andersson PU Zatula AS McGrath MJ Kurtén T Ortega IK Vehkamäki H Uggerud E 《The journal of physical chemistry. A》2012,116(20):4902-4908
Molecular cluster ions H(+)(H(2)O)(n), H(+)(pyridine)(H(2)O)(n), H(+)(pyridine)(2)(H(2)O)(n), and H(+)(NH(3))(pyridine)(H(2)O)(n) (n = 16-27) and their reactions with ammonia have been studied experimentally using a quadrupole-time-of-flight mass spectrometer. Abundance spectra, evaporation spectra, and reaction branching ratios display magic numbers for H(+)(NH(3))(pyridine)(H(2)O)(n) and H(+)(NH(3))(pyridine)(2)(H(2)O)(n) at n = 18, 20, and 27. The reactions between H(+)(pyridine)(m)(H(2)O)(n) and ammonia all seem to involve intracluster proton transfer to ammonia, thus giving clusters of high stability as evident from the loss of several water molecules from the reacting cluster. The pattern of the observed magic numbers suggest that H(+)(NH(3))(pyridine)(H(2)O)(n) have structures consisting of a NH(4)(+)(H(2)O)(n) core with the pyridine molecule hydrogen-bonded to the surface of the core. This is consistent with the results of high-level ab initio calculations of small protonated pyridine/ammonia/water clusters. 相似文献
94.
95.
Jürgen Brem Weston B. Struwe Anna M. Rydzik Hanna Tarhonskaya Inga Pfeffer Emily Flashman Sander S. van Berkel James Spencer Timothy D. W. Claridge Michael A. McDonough Justin L. P. Benesch Christopher J. Schofield 《Chemical science》2015,6(2):956-963
Metallo-β-lactamases (MBLs) catalyse the hydrolysis of almost all β-lactam antibiotics. We report biophysical and kinetic studies on the São Paulo MBL (SPM-1), which reveal its Zn(ii) ion usage and mechanism as characteristic of the clinically important di-Zn(ii) dependent B1 MBL subfamily. Biophysical analyses employing crystallography, dynamic 19F NMR and ion mobility mass spectrometry, however, reveal that SPM-1 possesses loop and mobile element regions characteristic of the B2 MBLs. These include a mobile α3 region which is important in catalysis and determining inhibitor selectivity. SPM-1 thus appears to be a hybrid B1/B2 MBL. The results have implications for MBL evolution and inhibitor design. 相似文献
96.
Dorota Gryko DanielT. Gryko Hanna Sierzputowska‐Gracz Piotr Piatek Janusz Jurczak 《Helvetica chimica acta》2004,87(1):156-166
The efficient synthesis of eight new macrocyclic amides (lactams) via reaction of diesters with diamines under normal dilution conditions is described. The role of intermolecular H‐bond formation and steric hindrance is discussed based on 1H‐ and 15N‐NMR studies of appropriate model compounds. Principles for the optimal choice of esters that can be efficiently transformed into diamides have been developed. 相似文献
97.
Factors influencing the rates of quantum mechanical particle transfer reactions in many-body systems are discussed. The investigations are carried out on a simple model for a proton transfer reaction that captures generic features seen in more realistic models of condensed phase systems. The model involves a bistable quantum oscillator coupled to a one-dimensional double-well reaction coordinate, which is in turn coupled to a bath of harmonic oscillators. Reactive-flux correlation functions that involve quantum-classical Liouville dynamics for chemical species operators and quantum equilibrium sampling are used to estimate the reaction rates. Approximate analytical expressions for the quantum equilibrium structure are derived. Reaction rates are shown to be influenced significantly by both the quantum equilibrium structure and nonadiabatic dynamics. Nonadiabatic dynamical effects are found to play the major role in determining the magnitude of the kinetic isotope effect for the model transfer reaction. 相似文献
98.
Hanna GohMin Joung Kim Preeti SalujaNarinder Singh Doo Ok Jang 《Tetrahedron letters》2012,53(30):3900-3902
A dipodal receptor was synthesized by condensation of isophthalaldehyde and p-toluenesulfonylhydrazide. The receptor was found to be selective for Cu2+ recognition in CH3CN. The resultant Cu2+ receptor complex selectively recognized iodide through cation displacement assay in a CH3CN/H2O (8:2, v/v) solvent system. 相似文献
99.
Proton and deuteron transfer reactions in a hydrogen-bonded complex dissolved in a polar solution are studied using quantum-classical Liouville dynamics. Reactive-flux correlation functions that involve quantum-classical Liouville dynamics for species operators and quantum equilibrium sampling are used to calculate the rate constants. Adiabatic and nonadiabatic reaction rates are computed, compared, and analyzed. Large variations of the kinetic isotope effect (KIE) for this reaction have been observed in the literature, which depend on the nature of the approximate calculation used to estimate the proton and deuteron transfer rates. Our estimate of the KIE lies at the low end of the range of previously observed values, suggesting a rather small KIE for this reaction. 相似文献
100.
This paper describes an application of statics to geometrical proofs in the classroom. The aim of the study was to find out whether the use of concepts and arguments from statics can help students understand and produce proofs of geometrical theorems. The two theorems studied were (1) that the medians in a triangle meet at a single point which is the centre of gravity of the triangle, and (2) the Varignon theorem, that the lines joining the midpoints of successive sides of a quadrilateral form a parallelogram. The classroom experiment showed that most students were successful in using arguments from statics in their proofs, and that they gained a better understanding of the theorems. These findings lend support to the claim that the introduction of statics helps students produce proofs and grasp their meaning. 相似文献