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121.
Chang TY Huang M Yanik AA Tsai HY Shi P Aksu S Yanik MF Altug H 《Lab on a chip》2011,11(21):3596-3602
Microarrays allowing simultaneous analysis of thousands of parameters can significantly accelerate screening of large libraries of pharmaceutical compounds and biomolecular interactions. For large-scale studies on diverse biomedical samples, reliable, label-free, and high-content microarrays are needed. In this work, using large-area plasmonic nanohole arrays, we demonstrate for the first time a large-scale label-free microarray technology with over one million sensors on a single microscope slide. A dual-color filter imaging method is introduced to dramatically increase the accuracy, reliability, and signal-to-noise ratio of the sensors in a highly multiplexed manner. We used our technology to quantitatively measure protein-protein interactions. Our platform, which is highly compatible with the current microarray scanning systems can enable a powerful screening technology and facilitate diagnosis and treatment of diseases. 相似文献
122.
123.
New bis(NHC)-Pd complexes were synthesized and characterized by elemental analysis, 1H NMR, 13C NMR, and IR spectroscopy. The reaction of Pd(OAc)2 and bis(benzimidazolium) salts in DMSO gave the monomeric palladium complex in which the N-heterocyclic carbene was bound to the metal centre. The crystal and molecular structure of the cis-dibromo{1,1′-di[2,3,4,5,6-pentamethylbenzyl]-3,3′-butylenedibenzimidazol-2,2′-diylidene}-palladium(II) complex was determined by single-crystal X-ray diffraction. The activity of the Pd(II) complexes in the direct arylation of benzothiazole with arylbromides was investigated. A preliminary catalytic study showed that these bis(NHC)-Pd complexes were highly active in the direct arylation of benzothiazole with arylbromides. 相似文献
124.
A new N-TEMPO-3,5-di-tert-butylsalicylaldimine radical (1) has been synthesized and characterized by single crystal X-ray diffraction, elemental analysis, IR, UV–vis, and EPR spectroscopy and temperature dependent magnetic susceptibility. X-ray diffraction revealed that H-atoms of γ-CH in TEMPO and CH3 in salicylaldimine moieties, are located in close contact with the neighboring N–O radical group in crystal 1. The temperature dependence of the magnetic susceptibility (χm) of 1 has been fitted by the Curie–Weiss law with θ = −0.3 K within 10–300 K, suggesting the presence of a weak intermolecular antiferromagnetic interaction between radical centers at T < 10 K. It has been demonstrated that radical 1 possesses crystal structure involving co-existence of antiferromagnetic and ferromagnetic interactions through C–H?O–N contacts of γ-CH and tBu groups hydrogen atoms, in which the former path dominates over the latter. 相似文献
125.
Ataç A Yurdakul Ş Berber S 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2011,81(1):684-689
We report synthesis of six new bis-nicotinamide metal(II) dihalide complexes [M(nia)(2)Cl(2); M = Mn, Co; nia:nicotinamide, M(nia)(2)Br(2); M = Mn, Hg; M(nia)(2)I(2); M = Cd, Cu], and their characterization by combining infrared spectroscopy with density functional theory (DFT) calculations. Infrared spectra indicate that ring-nitrogen is the active donor cite, and the atomic structure of the complexes is determined to be polymeric octahedral or distorted polymeric octahedral. Spin polarized electronic ground state is obtained for Mn, Co, and Cu halide complexes. The colors of the complexes also support the conclusion of octahedral coordination around the metal atoms, in agreement with DFT results. 相似文献
126.
Tokatlı A Ozen E Ucun F Bahçeli S 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2011,78(3):1201-1211
The optimized molecular geometry, vibrational frequencies, and gauge including atomic orbital (GIAO) (1)H and (13)C NMR shift values of 5-(4-bromophenylamino)-2-methylsulfanylmethyl-2H-1,2,3-triazol-4-carboxylic acid ethyl ester have been calculated by using Hartree-Fock (HF) and density functional method (DFT/B3LYP) with 6-31G(d), 6-31G(d,p) and LANL2DZ basis sets. The optimized molecular geometric parameters were presented and compared with the data obtained from X-ray diffraction. In order to fit the calculated harmonic wavenumbers to the experimentally observed ones, scaled quantum mechanics force field (SQM FF) methodology was proceeded. Correlation factors between the experimental and calculated (1)H chemical shift values of the title compound in vacuum and in CHCl(3) solution by using the conductor-like screening continuum solvation model (COSMO) were reported. The calculated results showed that the optimized geometry well reproduces the crystal structure. The theoretical vibrational frequencies and chemical shifts are in very good agreement with the experimental data. In solvent media the energetic behavior of the title compound was also examined by using the B3LYP method with the 6-31G(d) basis set, applying the COSMO model. The obtained results indicated that the total energy of the title compound decreases with increasing polarity of the solvent. Furthermore, molecular electrostatic potential (MEP), natural bond orbital (NBO) and frontier molecular orbitals (FMOs) of the title compound were performed by the B3LYP/LANL2DZ method, and also thermodynamic parameters for the title compound were calculated at all the HF and B3LYP levels. 相似文献
127.
Hasan Demir Moghtada Mobedi Semra Ülkü 《Journal of Thermal Analysis and Calorimetry》2011,104(1):375-382
In this study, the activities of four ginsenosides Rc, Re, Rd, and Rf on splenic lymphocytes growth were studied by microcalorimetry.
Some qualitative and quantitative information, such as the metabolic power–time curves, growth rate constant k, maximum heat-output power of the exponential phase P
max and the corresponding appearance peak time t
max, total heat output Q
t, and promotion rate R
p of splenic lymphocytes growth affected by the four ginsenosides were calculated. In accordance with thermo-kinetic model,
the corresponding quantitative relationships of k, P
max, t
max, Q
t, R
p, and c were established, . Also, the median effective concentration (EC50) was obtained by quantitative analysis. Based on both the quantitative quantity–activity relationships (QQAR) and EC50, the sequence of promotion activity was Rc > Re > Rd > Rf. The analysis of structure–activity relationships showed that the
number, type, and position of sugar moieties on the gonane steroid nucleus had important influences on the promotion activity
of Rc, Re, Rd, and Rf on splenic lymphocytes growth. Microcalorimetry can be used as a useful tool for determining the activity
and studying the quantity–activity relationship of drugs on cell. 相似文献
128.
A visco-elastoplastic model for the impact between a compact body and a composite target is presented. The model is a combination
of a nonlinear contact law that includes energy loss due to plastic deformation and a viscous element that accounts for energy
losses due to wave propagation and/or damping. The governing nonlinear equations are solved numerically to obtain the response.
A piecewise linear version of the model is also presented, which facilitates analytical solution. The model predictions are
compared to those of the well-known and commonly used Hunt–Crossley model. The effects of the various impact parameters, such
as impactor mass, velocity, plasticity, and damping, on the impact response and coefficient of restitution are investigated.
The model appears to be suitable for a wide range of impact situations, with parameters that are well defined and easily calculated
or measured. Furthermore, the resulting coefficient of restitution is shown to be a function of impact velocity and damping,
as confirmed by published experimental data. 相似文献
129.
Sema Özturk Şamil Işik Erbil Aguar Selami Şalsmaz H. K. Fun Ahmet Erdönmez 《光谱学快报》2013,46(2):245-254
Abstract The crystal structure of the title compound, C41 H35 N7 O6 S3 was determined as monoclinic by single crystal X-Ray diffraction technique. The molecular structure was identified by IR, 1H-NMR, 13C-NMR and elemental analysis. The crystal parameters of this compound are as follows: monoclinic P 2 1/n, a = 12.694(2) Å, b = 26.204(2) Å, c = 13.005(2) Å, β = 102.95(2)°, V = 4216.02(1) Å.3, Z = 4, Dx = 1.289 g/cm3, F(000) = 1704, λ (MoKα) = 0.71070 Å, μ = 0.2 mm?1. The structure was solved by SHELXS-97 and refined by SHELXL-97. R = 0.06 for 3178 observed reflections with I > 2σ (I). 相似文献
130.
Six new, sterically demanding bis(benzimidazolium) salts (2a–f) as NHC precursors have been synthesized and characterized. These salts, in combination with palladium acetate, provide active catalysts for the cross‐coupling of aryl chlorides and bromides under mild conditions in aqueous media. Copyright © 2006 John Wiley & Sons, Ltd. 相似文献