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21.
Zeenat Zara Deepti Mishra Saurabh Kumar Pandey Eva Csefalvay Fatemeh Fadaei Babak Minofar David eha 《Molecules (Basel, Switzerland)》2022,27(1)
The effect of aqueous solutions of selected ionic liquids solutions on Ideonella sakaiensis PETase with bis(2-hydroxyethyl) terephthalate (BHET) substrate were studied by means of molecular dynamics simulations in order to identify the possible effect of ionic liquids on the structure and dynamics of enzymatic Polyethylene terephthalate (PET) hydrolysis. The use of specific ionic liquids can potentially enhance the enzymatic hydrolyses of PET where these ionic liquids are known to partially dissolve PET. The aqueous solution of cholinium phosphate were found to have the smallest effect of the structure of PETase, and its interaction with (BHET) as substrate was comparable to that with the pure water. Thus, the cholinium phosphate was identified as possible candidate as ionic liquid co-solvent to study the enzymatic hydrolyses of PET. 相似文献
22.
Saurabh Bhatia Rashita Makkar Tapan Behl Aayush Sehgal Sukhbir Singh Mahesh Rachamalla Vasudevan Mani Muhammad Shahid Iqbal Simona Gabriela Bungau 《Molecules (Basel, Switzerland)》2022,27(5)
Marine drugs are abundant in number, comprise of a diverse range of structures with corresponding mechanisms of action, and hold promise for the discovery of new and better treatment approaches for the management of several chronic diseases. There are huge reserves of natural marine biological compounds, as 70 percent of the Earth is covered with oceans, indicating a diversity of chemical entities on the planet. The marine ecosystems are a rich source of bioactive products and have been explored for lead drug molecules that have proven to be novel therapeutic targets. Over the last 70 years, many structurally diverse drug products and their secondary metabolites have been isolated from marine sources. The drugs obtained from marine sources have displayed an exceptional potential in the management of a wide array of diseases, ranging from acute to chronic conditions. A beneficial role of marine drugs in human health has been recently proposed. The current review highlights various marine drugs and their compounds and role in the management of chronic diseases such as cancer, diabetes, neurodegenerative diseases, and cardiovascular disorders, which has led to the development of new drug treatment approaches. 相似文献
23.
Har Mohindra Chawla Satya Narayan Sahu Rahul Shrivastava Satish Kumar 《Tetrahedron letters》2012,53(17):2244-2247
A series of calix[4]arene based ditopic receptors possessing bipyridyl and hydrazone units have been synthesized and evaluated for ionic recognition. It has been observed that the synthesized derivatives function as allosteric receptors for simultaneous recognition of Co2+and F? ions through non-covalent interactions. Significant bathochromic shifts in the UV–visible spectrum with a profound colour change promise their use to engineer novel applications. 相似文献
24.
Saurabh D Rindani 《Pramana》2002,58(4):575-590
QCD corrections to order α
s
in the soft-gluon approximation to angular distributions of decay charged leptons in the process e
+
e
− → t
, followed by semileptonic decay of t
, are obtained in the esu− e
− centre-of-mass frame. As compared to distributions in the top rest frame, these have the advantage that they would allow
direct comparison with experiment without the need to reconstruct the top rest frame. The results also do not depend on the
choice of a spin quantization axis for t or t. Analytic expression for the triple distribution in the polar angle of t and polar and azimuthal angles of the lepton is obtained. Analytic expression is also derived for the distribution in the
charged-lepton polar angle. Numerical values are discussed for √s=400, 800 and 1500 GeV. 相似文献
25.
The principal reactants interact in a molar ratio of 2:1 forming dihydroindophenol and the corresponding disulfide. The order of reaction is unity with respect to each reactant, namely, N-acetyl L-cysteine and indophenol. The rate shows an inverse linear relation with hydroxyl ions. It is not influenced by the variation in the initial concentration of indophenol. The rate increases on adding the salts possessing a cholinergic effect and the neutral electrolytes, as well as on increasing the dielectric constant of the medium. The products, namely, N-acetyl L-cystine (disulfide) and the leuco dye, do not influence the rate. A low energy and a highly negative entropy of activation (4.11 kcal/mol and -60.49 e.u., respectively) suggest the formation of an outer sphere complex as the rate-determining step. 相似文献
26.
The origin of the high- and low-frequency K-satellites of 31Ga, 32Ge, 33 As is explain on the basis of Hayasi's theory of quasi-stationary states. It is shown that the same QSS difference gives rise to a particular satellite of either type in all the elements. The results are compared with those of multiple ionisation theory. 相似文献
27.
Forbidden hyperfine transitions are observed in the electron spin resonance spectrum of divalent Mn55 ion in NaCl single crystal for a particular associated pair. From the measurements of the M = + 1/2 → ?1/2, Δm = ± 1 transitions the parametersQ′ and Q″ of the nuclear electric quadrupole part of the spin-Hamiltonian Ho = Q′ [Iz 2 ? 1/3 I (I + 1)] + Q″ (Ix 2?Iy 2) are found to be + 1.70 × 10?4 cm.?1 and +0.16 × 10?4 cm.?1 respectively. 相似文献
28.
The crystal field hamiltonian Hc = B20Y20 + B22(Y22 + Y2?2) commonly used in the study of electron-spin resonance is employed to obtain new contributions to the 57Fe3+ isomer shift in the Mössbauer effect. A numerical estimate of the shift is also presented. 相似文献
29.
The contribution of the ferroelectric soft-mode to the zero-field splitting is calculated and separated from the thermal contribution arising from the splitting due to the electron-phonon interaction. The predicted effect is compared with the measured values in Mn2+-doped NaNO2. 相似文献
30.
An effort has been made for obtaining the anharmonic properties of rocksalt structure solids starting from primary physical parameters viz. nearest-neighbor distance and hardness parameter assuming long- and short-range potentials at elevated temperatures. The elastic energy density for a deformed crystal can be expanded as power series of strains for obtaining coefficients of quadratic, cubic and quartic terms which are known as the second-, third- and fourth-order elastic constants, respectively. When the values of the higher-order elastic constants are known for a crystal, many of the anharmonic properties of the crystal can be treated within the limit of the continuum approximation in a quantitative manner. In this study, higher-order elastic constants are computed up to their melting temperature for rocksalt structure solids, which are alkali cyanides, sodium and potassium halides. The first order pressure derivatives of second- and third-order elastic constants, the second-order pressure derivatives of second-order elastic constants and partial contractions are also evaluated at different temperatures for these substances. The results thus obtained are compared with experimental data and found in well agreement with present values. 相似文献