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121.
Halder A Bhatt S Nayak SK Chattopadhyay S Bhattacharya S 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2011,84(1):25-31
The present article reports the spectroscopic investigations on non-covalent interaction of fullerenes C(60) and C(70) with a macrocyclic receptor molecule, namely, 1,3,5,7-tetrahomo-p-tert-butylcalix[8]arene (1) in toluene. Jobs method of continuous variation reveals 1:1 stoichiometry for the fullerene complexes of 1. The most fascinating feature of the present study is that 1 binds selectively C(60) compared to C(70) as obtained from binding constant (K) data of C(60)-1 (K(C60-1)) and C(70)-1 (K(C70-1)) complexes which are enumerated to be 265,000 dm(3) mol(-1) and 63,43 dm(3) mol(-1), respectively, and selectivity in binding (K(C60-1)/K(C70-1)) is estimated to be 4.18 as obtained from UV-Vis study. Steady state fluorescence studies reveal quenching of fluorescence of 1 in presence of fullerenes and the K value of the C(60)-1 and C(70)-1 complexes are estimated to be 80,760 and 68,780 dm(3) mol(-1), respectively, with selectivity in binding (K(C60-1)/K(C70-1)) ~1.18. (1)H NMR analysis provides very good support in favor of strong binding between C(60) and 1. The high value of K value for C(60)-1 complex indicates that 1 forms an inclusion complex with C(60). 相似文献
122.
Ray A Chattopadhyay S Bhattacharya S 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2011,79(5):1435-1442
The photo-physical aspects of non-covalently linked assemblies of a series of fullerenes, namely, C60, C70, tert-butyl-(1,2-methanofullerene)-61-carboxylate (1) and [6,6]-phenyl C70 butyric acid methyl ester (2) with a designed zinc phthalocyanine (ZnPc), viz., zinc-1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyanine (3) in toluene medium are studied employing absorption spectrophotometric, steady state and time resolved fluorescence spectroscopic measurements. Of central interest in these investigations is the preferential binding of various fullerenes with ZnPc in toluene. The ground state interaction between fullerenes and 3 is first evidenced from UV-Vis measurements. Steady state fluorescence experiment reveals efficient quenching of the excited singlet state of 3 in presence of both underivatized and derivatized fullerenes. K values for the complexes of C60, C70, 1 and 2 with 3 are determined to be 6500, 22,230, 47,800 and 54,770 dm3 mol(-1), respectively. The magnitude of K suggests that 3 preferentially binds C70 and derivatized C70 in comparison to C60 and 1. Time resolved emission measurements establish that C(70)-3 and 2-3 complexes are stabilized much more in comparison to C(60)-3 and 1-3 systems in terms of charge separation process. Semi empirical calculations employing third parametric method substantiate the strong binding of C70 and its derivative with 3 in terms of heat of formation values of the respective complexes, and at the same time, determine the orientation of bound guest (here fullerenes) with the molecular plane of 3. 相似文献
123.
Tiwari AD Mishra AK Mishra SB Mamba BB Maji B Bhattacharya S 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2011,79(5):1050-1056
The thiocarbohydrazone Schiff-base ligand with a nitrogen and sulphur donor was synthesized through condensation of pyridine-2-carbaldehyde and thiocarbohydrazide. Schiff-base ligands have the ability to conjugate with metal salts. A series of metal complexes with a general formula [MCl2(H2L)]·nH2O (MNi, Co, Cu and Zn) were synthesized by forming complexes of the N1,N5-bis[pyridine-2-methylene]-thiocarbohydrazone (H2L) Schiff-base ligand. These metal complexes and ligand were characterized by using ultraviolet-visible (UV-Vis), Fourier Transform Infrared (FT-IR), 1H and 13C NMR spectroscopy and mass spectroscopy, physicochemical characterization, CHNS and conductivity. The biological activity of the synthesized ligand was investigated by using Escherichia coli DNA as target. The DNA interaction of the synthesized ligand and complexes on E. coli plasmid DNA was investigated in the aqueous medium by UV-Vis spectroscopy and the binding constant (Kb) was calculated. The DNA binding studies showed that the metal complexes had an improved interaction due to trans-geometrical isomers of the complexes than ligand isomers in cis-positions. 相似文献
124.
Mukherjee S Bauri AK Bhattacharya S 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2011,79(5):1952-1958
The present paper reports the synthesis of a designed bisporphyrin (1), and its supramolecular complexes with C60, C70 and their derivatives, namely, tert-butyl-(1,2-methanofullerene)-61-carboxylate (2) and [6,6]-phenyl C70 butyric acid methyl ester (3) in toluene medium. C60, C70 and their derivatives undergo ground state non-covalent interaction with 1 is evidenced from absorption spectrophotometric study in which it is observed that the intensity of the Soret absorption band of 1 decreases considerably in presence of C60, C70 and their derivatives. Steady state fluorescence studies reveal efficient quenching of fluorescence of 1 in presence of fullerenes. The binding constant (K) values of the fullerene/1 complexes follows the trend: 2/1相似文献
125.
Zhong Q Bhattacharya S Kotsopoulos S Olson J Taly V Griffiths AD Link DR Larson JW 《Lab on a chip》2011,11(13):2167-2174
Quantitative polymerase chain reactions (qPCR) based on real-time PCR constitute a powerful and sensitive method for the analysis of nucleic acids. However, in qPCR, the ability to multiplex targets using differently colored fluorescent probes is typically limited to 4-fold by the spectral overlap of the fluorophores. Furthermore, multiplexing qPCR assays requires expensive instrumentation and most often lengthy assay development cycles. Digital PCR (dPCR), which is based on the amplification of single target DNA molecules in many separate reactions, is an attractive alternative to qPCR. Here we report a novel and easy method for multiplexing dPCR in picolitre droplets within emulsions-generated and read out in microfluidic devices-that takes advantage of both the very high numbers of reactions possible within emulsions (>10(6)) as well as the high likelihood that the amplification of only a single target DNA molecule will initiate within each droplet. By varying the concentration of different fluorogenic probes of the same color, it is possible to identify the different probes on the basis of fluorescence intensity. Adding multiple colors increases the number of possible reactions geometrically, rather than linearly as with qPCR. Accurate and precise copy numbers of up to sixteen per cell were measured using a model system. A 5-plex assay for spinal muscular atrophy was demonstrated with just two fluorophores to simultaneously measure the copy number of two genes (SMN1 and SMN2) and to genotype a single nucleotide polymorphism (c.815A>G, SMN1). Results of a pilot study with SMA patients are presented. 相似文献
126.
Dibyendu Adak E. Natarajan Sarvesh Kumar 《Numerical Methods for Partial Differential Equations》2019,35(1):222-245
In this article, we discuss and analyze new conforming virtual element methods (VEMs) for the approximation of semilinear parabolic problems on convex polygonal meshes in two spatial dimension. The spatial discretization is based on polynomial and suitable nonpolynomial functions, and a Euler backward scheme is employed for time discretization. The discrete formulation of both the proposed schemes—semidiscrete and fully discrete (with time discretization) is discussed in detail, and the unique solvability of the resulted schemes is discussed. A priori error estimates for the proposed schemes (semidiscrete and fully discrete) in H1‐ and L2‐norms are derived under the assumption that the source term f is Lipschitz continuous. Some numerical experiments are conducted to illustrate the performance of the proposed scheme and to confirm the theoretical convergence rates. 相似文献
127.
In this paper we present a method of incorporating spin-adapted configurations in a Many-Body Perturbation Theory (MBPT) framework. It has been demonstrated how the use of doubly excited Serber-type spinadapted configurations leads in a straightforward way to a well-defined MBPT series which in effect involves an infinite summation of orbital-diagonal ladders for all possible spin allocations. The formalism implicitly defines a partition of the hamiltonian in which the diagonal matrix elements of the hamiltonian in the Serber-type configurations figure as the unperturbed part. This may thus be called a spin-adapted Epstein-Nesbet (E-N) type of partition. The formalism has been tested on a selection of 6π-electron conjugated systems where we have calculated their orbital pair-correlation energies, and compared the performance against E-N perturbation results and a variational calculation of the same quantities. The comparison reveals that, with canonical Hartree-Fock orbitals, the E-N partition tends to overestimate the pair-correction energy which the spinadapted formalism tends to compensate, but without involving much additional effort. The results for the localized H-F orbitals are rather less sensitive and no definitive conclusions could be discerned for them. The advantages of using the spin-adapted MBPT formalism have also been delineated. 相似文献
128.
Ranu Bhatt Ranita Basu S. Bhattacharya A. Singh D. K. Aswal S. K. Gupta G. S. Okram V. Ganesan D. Venkateshwarlu C. Surgers M. Navaneethan Y. Hayakawa 《Applied Physics A: Materials Science & Processing》2013,110(2):465-470
Y2O3 nanoparticles and nanorods have been firstly synthesized in bulk Ti-Y films prepared by magnetron sputtering on Si (100) substrates at different temperatures. X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM), and energy dispersive X-ray spectroscopy (EDS) are used to characterize the structure, morphology, and composition of the as-synthesized nanoparticles and nanorods. The mechanical properties of the sputtered films are investigated using nanoindentation techniques. The results indicate that both the nanoparticles and nanorods have a pure cubic Y2O3 structure resulting from the reaction of Y atoms with the residual O2 in the vacuum chamber, and are free from defects and dislocations with uniform diameters of about 30 nm. The Y2O3 nanoparticles mainly distribute at the grain boundaries of the Ti matrix and the nanorods have lengths ranging from 250 nm to more than 1 μm with the growth direction parallel to the (002) plane. As the growth temperature elevates, the nanoparticles turn to be coarsening while more and longer nanorods are inclined to form. Compared with the Ti film, the TiY films have a remarkable increase in hardness, but do not exhibit expected increase in elastic modulus. Finally, the growth mechanism is also briefly discussed. 相似文献
129.
Moloy Sarkar Raghavendra Yellampalli Bhaswati Bhattacharya Ravi Kumar Kanaparthi Anunay Samanta 《Journal of Chemical Sciences》2007,119(2):91-97
Fluorescence behaviour of 4-benzoylamido-N-methylphthalimide (1), designed and developed for selective detection of fluoride ions, is reported. 1 displays F−-induced colour change that allows its detection with the naked eye. The F− specificity of the sensor system is evident from the fact that unlike F−, other halides do not affect the absorption characteristics of 1. Apart from the colorimetric response, the fluorescence output of 1 is also modulated by F− in a manner that permits ratiometric fluorescence signalling of F− as well. It is found that the system can detect F− in the concentration range of 10–60 μM. The results of the experiments and theoretical calculations unambiguously suggest that the changes of the electronic absorption
and fluorescence behaviour of 1, which have been exploited for signalling purpose, are due to F−-induced deprotonation of the 4-amido moiety of the sensor system. 相似文献
130.
L.A. Farina X. Bai . Kurdak S. Chakrabarti P. Bhattacharya M.Shayegan 《Physica E: Low-dimensional Systems and Nanostructures》2006,34(1-2):187
We have fabricated devices on GaAs/AlGaAs heterostructures, containing two-dimensional electron gases, that consist of three point contacts surrounding an etched antidot with an Al/AlOx/Al single electron transistor. The single electron transistor measurement shows rearrangement of neighboring charged impurities with a characteristic stability time scale of 20 s in one device and greater than 1 h in a second device. We also measured the resistance of the point contact–antidot constriction versus magnetic field. In a device with a 20 s stability time, we see a high noise level and poor reproducibility. In a device with a long stability time, much greater than 1 h, we are able to see reproducible features including Aharonov–Bohm oscillations. 相似文献