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61.
Sarkar P Bharill S Gryczynski I Gryczynski Z Nair MP Lacko AG 《Journal of photochemistry and photobiology. B, Biology》2008,92(1):19-23
The solvatochromic fluorescent probe 8-anilino-1-naphthalenesulfonate (ANS) has been used to study the hydrophobicity and conformational dynamics of lecithin:cholesterol acyltransferase (LCAT). The ANS to LCAT binding constant was estimated from titrations with ANS, keeping a constant concentration of LCAT (2 microM). Apparent binding constant was found to be dependent on the excitation. For the direct excitation of ANS at 375 nm the binding constant was 4.7 microM(-1) and for UV excitation at 295 nm was 3.2 microM(-1). In the later case, not only ANS but also tryptophan (Trp) residues of LCAT is being excited. Fluorescence spectra and intensity decays show an efficient energy transfer from tryptophan residues to ANS. The apparent distance from Trp donor to ANS acceptor, estimated from the changes in donor lifetime was about 3 nm and depends on the ANS concentration. Steady-state and time-resolved fluorescence emission and anisotropies have been characterized. The lifetime of ANS bound to LCAT was above 16 ns which is characteristic for it being in a hydrophobic environment. The ANS labeled LCAT fluorescence anisotropy decay revealed the correlation time of 42 ns with a weak residual motion of 2.8 ns. These characteristics of ANS labeled LCAT fluorescence show that ANS is an excellent probe to study conformational changes of LCAT protein and its interactions with other macromolecules. 相似文献
62.
The reaction between BaI2 · 2H2O and NaHFIP [HFIP = OCH(CF3)2] in a 1:1 stoichiometry gave the heterometallic compound NaBaI2(HFIP)(H2O)(THF)0.5 (1). Attempts to recrystallize 1 in the presence of N- or O-donor ligands lead to redistribution reactions. Barium iodide adducts such as BaI2(DME)3 (2), trans-BaI2(DME)(triglyme) (3) and cis-BaI2(DME)(tetraglyme) (4) were isolated with DME as solvent. A similar behavior was observed for the reaction between BaI2 · 2H2O and NaTFA (TFA = O2CCF3) in a 1:1 stoichiometry in THF, and [Ba(tetraglyme)2]I2 · C7H8 (6) was isolated in the presence of excess tetraglyme. All compounds have been characterized by elemental analysis, IR and 1H NMR as well as single crystal X-ray studies for 3, 4 and 6. Compounds 3 and 4 are covalent adducts with eight- and nine-coordinate barium, respectively. Compound 6 is an ionic compound where two tetraglyme ligands wrap the 10-coordinate barium cation in a helical fashion. The presence of DME actually allows the coordination number of barium in the mixed-ligand adducts 3 and 4 to be tuned. The average Ba–O bond lengths (2.80 for 3 to 2.87 Å for 6) reflect the coordination number of the metal. The same observation is valid for the average Ba–I bond distance, 3.442 for 3 vs. 3.536 Å for 4. 相似文献
63.
Shashank S. Nagaraja Jennifer Power Goutham Kukkadapu Shijun Dong Scott W. Wagnon William J. Pitz Henry J. Curran 《Proceedings of the Combustion Institute》2021,38(1):881-889
A single-pulse shock tube study of the four pentene isomers is carried out at 2 ± 0.16 bar and 900–1600 K. C1 to C6 species profiles were recorded using gas chromatography mass spectrometry analyses. The species are identified using mass spectrometry and quantified by flame ionization detection. High-pressure limiting and pressure-dependent rate constants for 2M1B, 2M2B and 3M1B + ? were calculated using RRKM theory with a Master Equation (ME) analysis using the Master Equation System Solver, MESS. A mechanism was formulated based on rate rules and theoretical calculations. Comparisons between experimental results and model simulations are provided for all of the five pentene isomers investigated with satisfactory agreement. Furthermore, an insight is provided into the influence of molecular structure on the reactivity of pyrolysis chemistry. Interestingly, it is found that the HACA mechanism is much less prominent for benzene formation compared to the role of cyclopentadienyl radical recombination with methyl radicals and also the recombination of propargyl radicals. 相似文献
64.
Decomposing a divisor over a suitable factor basis in the Jacobian of a hyperelliptic curve is a crucial step in an index calculus algorithm for the discrete log problem in the Jacobian. For small genus curves, in the year 2000, Gaudry had proposed a suitable factor basis and a decomposition method. In this work, we provide a new method for decomposition over the same factor basis. The advantage of the new method is that it admits a sieving technique which removes smoothness checking of polynomials required in Gaudry’s method. Also, the total number of additions in the Jacobian required by the new method is less than that required by Gaudry’s method. The new method itself is quite simple and we present some example decompositions and timing results of our implementation of the method using Magma. 相似文献
65.
Bud Coulson Shashank Kanade James Lepowsky Robert McRae Fei Qi Matthew C. Russell Christopher Sadowski 《The Ramanujan Journal》2017,42(1):97-129
We present what we call a “motivated proof” of the Göllnitz–Gordon–Andrews identities. A similar motivated proof of the Rogers–Ramanujan identities was previously given by G. E. Andrews and R. J. Baxter, and was subsequently generalized to Gordon’s identities by J. Lepowsky and M. Zhu. We anticipate that the present proof of the Göllnitz–Gordon–Andrews identities will illuminate certain twisted vertex-algebraic constructions. 相似文献
66.
Mishra S Pfalzgraf LG Jeanneau E Chermette H 《Dalton transactions (Cambridge, England : 2003)》2007,(4):410-413
An ionic heterometallic species [Y(DMF)(8)][Cu(4)(micro(3)-I)(2)(micro-I)(3)I(2)](1) was isolated from a solution of CuI, NH(4)I and YI(3)(Pr(i)OH)(4) in DMF-isopropoxyethanol, and was converted in a confined environment by progressive substitution of the DMF ligands with water molecules first into a 1D zig-zag structure [Y(DMF)(6)(H(2)O)(2)][Cu(7)(micro(4)-I)(3)(micro(3)-I)(2)(micro-I)(4)(I)](1infinity)(2) and finally into a 2D sheet [Y(DMF)(6)(H(2)O)(3)][Cu(I)(7)Cu(II)(2)(micro(3)-I)(8)(micro-I)(6)](2infinity)(3) by H-bond templating. 相似文献
67.
The ethanol extract of the dried, powdered hull portion of Ricinus communis seeds indicated the presence of alkaloids, steroids, flavonoids, glycosides and phenolics, amongst others. Ricinine was isolated as an active constituent and characterised by various chemical and spectroscopic techniques. The anticonvulsant activity of the isolated compound was evaluated in mice using the maximal electroshock (MES) model. The isolated compound at a dose of 60?mg?kg?1 body weight, orally, significantly (p?0.05) reduced the extensor tonus phase of convulsion by MES-induced seizures in albino mice when compared with the standard drug diazepam (30?mg?kg?1 body weight, orally). The results of this study support the folkloric use of the plant in epileptic remedies. 相似文献
68.
Mishra S Ledoux G Jeanneau E Daniele S Joubert MF 《Dalton transactions (Cambridge, England : 2003)》2012,41(5):1490-1502
First heterometal-organic single source precursors for NaYF(4) nanomaterials as a host matrix for up-conversion emission are reported. These novel heterobimetallic derivatives NaY(TFA)(4)(diglyme) (1), [Na(triglyme)(2)][Y(2)(TFA)(7)(THF)(2)] (2) and Na(2)Y(TFA)(5)(tetraglyme) (3) (TFA = trifluoroacetate), which were fully characterized by elemental analysis, FT-IR and (1)H NMR spectroscopy, TG-DTA data as well as single crystal X-ray structures, are advantageous in terms of being anhydrous and having lower decomposition temperatures in comparison to the homometallic precursor Y(TFA)(3)(H(2)O)(3). In addition, they also contain chelating glyme ligands, which act as capping reagents during decomposition to control the NaYF(4) particle size and render them monodisperse in organic solvents. On decomposition in 1-octadecene, the molecular derivatives 1 and 3 are converted, in the absence of any surfactant or capping reagent, to cubic NaYF(4) nanocrystals at significantly lower temperatures (below 250 °C). At higher temperature, a mixture of the cubic and hexagonal phases was obtained, the relative ratio of the two phases depending on the reaction temperature. A pure hexagonal phase, which is many folds more efficient for UC emission than the cubic phase, was obtained by calcining nanocrystals of mixed phase at 400 °C. In order to co-dope this host matrix with up-converting lanthanide cations, analogous complexes NaLn(TFA)(4)(diglyme) [Ln = Er (4), Tm (5), Yb (6)] and Na(2)Ln(TFA)(5)(tetraglyme) [Ln = Er (7), Yb (8)] were also prepared and characterized. The decomposition in 1-octadecene of suitable combinations and appropriate molar ratios of these yttrium, ytterbium and erbium/thulium derivatives gave cubic and/or hexagonal NaYF(4): Yb(3+), Er(3+)/Tm(3+) nanocrystals (NCs) capped by diglyme or tetraglyme ligands, which were characterized by IR, TG-DTA data, EDX analysis and TEM studies. Surface modification of these NCs by ligand exchange reactions with poly acrylic acid (PAA) and polyethyleneglycol (PEG) diacid 600 was also carried out to render them water soluble. The THF solutions of suitable combinations of the diglyme derivatives were also used to elaborate the thin films of NaYF(4):Yb(3+), Er(3+)/Tm(3+) on a glass or Si wafer substrate by spin coating. The multicolour up-conversion fluorescence was successfully realized in the Yb(3+)/Er(3+) (green/red) and Yb(3+)/Tm(3+) (blue/violet) co-doped NaYF(4) nanoparticles and thin films, which demonstrates that they are promising UC nanophosphors of immense practical interest. The up-conversion excitation pathways for the Er(3+)/Yb(3+) and Tm(3+)/Yb(3+) co-doped materials are discussed. 相似文献
69.
A cosmological model for barotropic fluid distribution in creation field cosmology with varying cosmological constant (Λ) in FRW space-time is investigated. To get the deterministic model satisfying conservation equation, we have assumed $\varLambda = \frac{1}{R^{2}}$ as considered by Chen and Wu (in Phys. Rev. D 41:695, 1990) where R is scale factor. We find that creation field (C) increases with time, which matches with the result of HN Theory (in Hoyle and Narlikar, Proc. R. Astron. Soc. A 282:178, 1964), $\varLambda\sim\frac{1}{t^{2}}$ , the spatial volume increases with time and deceleration parameter q<0 which shows that universe is accelerating. This result matches with recent observations. The inflationary scenario exists in the models and the results so obtained match with astronomical observations. The various special cases of the model (21) viz. dust filled universe (γ=0) and radiation dominated era (ρ=3p), ρ=p (stiff fluid universe) are also discussed. The models are free from horizon. 相似文献
70.
Khalil EL KHATABI Ilham AANOUZ Reda El-MERNISSI Atul Kumar SINGH Mohammed Aziz AJANA Tahar LAKHLIFI Shashank KUMAR Mohammed BOUACHRINE 《Turkish Journal of Chemistry》2021,45(3):647
Alzheimer’s disease (AD) is a multifactorial and polygenic disease. It is the most prevalent reason for dementia in the aging population. A dataset of twenty-six 1,2,3-triazole-based derivatives previously synthetized and evaluated for acetylcholinesterase inhibitory activity were subjected to the three-dimensional quantitative structure-activity relationship (3D-QSAR) study. Good predictability was achieved for comparative molecular field analysis (CoMFA) (Q2 = 0.604, R2 = 0.863, rext2 = 0.701) and comparative molecular similarity indices analysis (CoMSIA) (Q2 = 0.606, R2 = 0.854, rext2 = 0.647). The molecular features characteristics provided by the 3D-QSAR contour plots were quite useful for designing and improving the activity of acetylcholinesterase of this class. Based on these findings, a new series of 1,2,3-triazole based derivatives were designed, among which compound A1 with the highest predictive activity was subjected to detailed molecular docking and compared to the most active compound. The selected compounds were further subjected to 20 ns molecular dynamics (MD) simulations to study the comparative conformation dynamics of the protein after ligand binding, revealing promising results for the designed molecule. Therefore, this study could provide worthy guidance for further experimental analysis of highly effective acetylcholinesterase inhibitors. 相似文献