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101.
A. A. Serafetinides M. Makropoulou E. Fabrikesi E. Spyratou C. Bacharis R. R. Thomson A. K. Kar 《Applied Physics A: Materials Science & Processing》2008,93(1):111-116
The use of intraocular lenses (IOLs) is the most promising method to restore vision after cataract surgery. Several new materials,
techniques, and patterns have been studied for forming and etching IOLs to improve their optical properties and reduce diffractive
aberrations. This study is aimed at investigating the use of ultrashort laser pulses to ablate the surface of PMMA and intraocular
lenses, and thus provide an alternative to conventional techniques. Ablation experiments were conducted using various polymer
substrates (PMMA samples, hydrophobic acrylic IOL, yellow azo dye doped IOL, and hydrophilic acrylic IOL consist of 25% H2O). The irradiation was performed using 100 fs pulses of 800 nm radiation from a regeneratively amplified Ti:sapphire laser
system. We investigated the ablation efficiency and the phenomenology of the ablated patterns by probing the ablation depth
using a profilometer. The surface modification was examined using a high resolution optical microscope (IOLs) or atomic force
microscope—AFM (PMMA samples). It was found that different polymers exhibited different ablation characteristics, a result
that we attribute to the differing optical properties of the materials. In particular, it was observed that the topography
of the ablation tracks created on the hydrophilic intraocular lenses was smoother in comparison to those created on the PMMA
and hydrophobic lens. The yellow doped hydrophobic intraocular lenses show higher ablation efficiency than undoped hydrophobic
acrylic lenses. 相似文献
102.
Rajiv Kumar Kar Veniamin A. Borin Yonghong Ding Jrg Matysik Igor Schapiro 《Photochemistry and photobiology》2019,95(2):662-674
In this work, the electronic structure and spectroscopic properties of lumiflavin are calculated using various quantum chemical methods. The excitation energies for ten singlet and triplet states as well as the analysis of the electron density difference are assessed using various wave function‐based methods and density functionals. The relative order of singlet and triplet excited states is established on the basis of the coupled cluster method CC2. We find that at least seven singlet excited states are required to assign all peaks in the UV/Vis spectrum. In addition, we have studied the solvatochromic effect on the excitation energies and found differential effects except for the first bright excited state. Vibrational frequencies as well as IR, Raman and resonance Raman intensities are simulated and compared to their experimental counterparts. We have assigned peaks, assessed the effect of anharmonicity, and confirmed the previous assignments in case of the most intense transitions. Finally, we have studied the NMR shieldings and established the effect of the solvent polarity. The present study provides data for lumiflavin in the gas phase and in implicit solvent model that can be used as a reference for the protein‐embedded flavin simulations and assignment of experimental spectra. 相似文献
103.
Nonlinear Dynamics - In this paper, a novel robust tracking control strategy for nonlinear unmatched uncertain systems is formulated using the event-based adaptive dynamic programming (ADP)... 相似文献
104.
Ojha Probir Kumar Kar Supratik Krishna Jillella Gopala Roy Kunal Leszczynski Jerzy 《Molecular diversity》2021,25(1):625-659
Molecular Diversity - After the 1918 Spanish Flu pandemic caused by the H1N1 virus, the recent coronavirus disease 2019 (COVID-19) brought us to the time of serious global health catastrophe.... 相似文献
105.
106.
107.
Somnath Roy Tarak Nath Mandal Anil Kumar Barik Samik Gupta Ray J. Butcher Mohamed Salah El Fallah Javier Tercero Susanta Kumar Kar 《Polyhedron》2008
The synthesis and structure of a pyrazole-based orthogonal ferromagnetically coupled tetracopper(II) 2 × 2 homoleptic grid complex [Cu4(PzOAPyz)4(ClO4)2](ClO4)2 · 6H2O (1), formed by the reaction between the ditopic ligand PzOAPyz and Cu(ClO4)2 · 6H2O, are described. The ligand contains terminal pyrazole and pyrazine residues bound to a central flexible diazine subunit (N–N) as well as one potentially bridging alkoxo group. The two adjacent metal centers are linked by an alkoxo oxygen forming essentially a square Cu4(μ-O4) cluster. In the Cu4(μ-O4) core, out of the four copper centers, two copper centers are penta-coordinated and the remaining two are hexa-coordinated. In each case of hexa-coordination, the sixth position is occupied by one of the oxygen atoms of a coordinated perchlorate ion. Complex 1 has been characterized structurally and magnetically. Although the large Cu–O–Cu bridge angles (137–138°) and short Cu–Cu distances (3.964–3.970 Å) are suitable for the transmission of the expected antiferromagnetic coupling, the square-based Cu4(μ-O4) cluster exhibits an intramolecular ferromagnetic exchange (J = 7.47 cm−1) between the metal centers with an S = 2 magnetic ground state associated with the quasi orthogonal arrangement of the magnetic orbitals (dx2-y2). The exchange pathway parameters have been evaluated from density functional calculations. 相似文献
108.
Tan KT Vogt BD White CC Steffens KL Goldman J Satija SK Clerici C Hunston DL 《Langmuir : the ACS journal of surfaces and colloids》2008,24(17):9189-9193
The origins for abrupt adhesion loss at a critical relative humidity (RH) for polymeric adhesives bonded to inorganic surfaces have been explored using a model poly(methyl methacrylate) (PMMA) film on glass. The interfacial and bulk water concentrations within the polymer film as a function of D 2O partial pressure were quantified using neutron reflectivity. Adhesion strength of these PMMA/SiO 2 interfaces under the same conditions was quantified using a shaft loaded blister test. A drop in adhesion strength was observed at a critical RH, and at this same RH, a discontinuity in the bulk moisture concentration occurred. The moisture concentration near the interface was higher than that in the bulk PMMA, and at the critical RH, the breadth of the interfacial water concentration distribution as a function of distance from the SiO 2/PMMA interface increased dramatically. We propose a mechanism for loss of adhesion at a critical RH based upon the interplay between bulk swelling induced stress and weakening of the interfacial bond by moisture accumulation at the PMMA/SiO 2 interface. 相似文献
109.
Ghoshal T Biswas S Kar S Chaudhuri S Nambissan PM 《The Journal of chemical physics》2008,128(7):074702
Zinc oxide (ZnO) samples in the form of hexagonal-based bipyramids and particles of nanometer dimensions were synthesized through solvothermal route and characterized by x-ray diffraction and transmission electron microscopy. Positron annihilation experiments were performed to study the structural defects such as vacancies and surfaces in these nanosystems. From coincidence Doppler broadening measurements, the positron trapping sites were identified as Zn vacancies or Zn-O-Zn trivacancy clusters. The positron lifetimes, their relative intensities, and the Doppler broadened lineshape parameter S all showed characteristic changes across the nanobipyramid size corresponding to the thermal diffusion length of positrons. In large nanobipyramids, vacancies within the crystallites also trapped positrons and the effects of agglomeration of such vacancies due to increased temperatures of synthesis were reflected in the variation of the annihilation parameters with their base diameters. The sizes of the nanoparticles used were all in the limit of thermal diffusion length of positrons and the annihilation characteristics were in accordance with the decreasing contribution from surfaces with increasing particle size. 相似文献
110.
We implement a well-established concept to consider dispersion effects within a Poisson-Boltzmann approach of continuum solvation of proteins. The theoretical framework is particularly suited for boundary element methods. Free parameters are determined by comparison to experimental data as well as high-level quantum mechanical reference calculations. The method is general and can be easily extended in several directions. The model is tested on various chemical substances and found to yield good-quality estimates of the solvation free energy without obvious indication of any introduced bias. Once optimized, the model is applied to a series of proteins, and factors such as protein size or partial charge assignments are studied. 相似文献