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41.
Kumar Mukesh Kumar Pankaj Agrawal Anshu Sahoo B. K. 《Journal of Radioanalytical and Nuclear Chemistry》2022,331(2):715-726
Journal of Radioanalytical and Nuclear Chemistry - Dissolved radon (222Rn) in drinking water has been measured using SMART RnDuo, a continuous radon monitor. Water samples have been collected from... 相似文献
42.
Sahoo H Roccatano D Hennig A Nau WM 《Journal of the American Chemical Society》2007,129(31):9762-9772
Fluorescence resonance energy transfer (FRET) from the amino acid tryptophan (Trp) as donor and a 2,3-diazabicyclo[2.2.2]oct-2-ene-labeled asparagine (Dbo) as acceptor in peptides of the general structure Trp-(Pro)n-Dbo-NH2 (n = 1-6) was investigated by steady-state and time-resolved fluorescence, CD, and NMR spectroscopy as well as by molecular dynamics (MD) simulations (GROMOS96 force field). The Trp/Dbo FRET pair is characterized by a very short F?rster radius (R0 ca. 9 A), which allowed distance determinations in such short peptides. Water and propylene glycol were investigated as solvents. The peptides were designed to show an early nucleation of the poly(Pro)II (PPII) secondary helix structure for n > or = 2, which was confirmed by their CD spectra. The shortest peptide (n = 1) adopts preferentially the trans conformation about the Trp-Pro bond, as confirmed by NMR spectra. The FRET efficiencies ranged 2-72% and were found to depend sensitively on the peptide length, i.e., the number of intervening proline residues. The analysis of the FRET data at different levels of theory (assuming either a fixed distance or distance distributions according to a wormlike chain or Gaussian model) afforded donor-acceptor distances between ca. 8 A (n = 1) and ca. 16 A (n = 6) in water, which were found to be similar or slightly higher in propylene glycol. The distances afforded by the Trp/Dbo FRET pair were found to be reasonable in comparison to literature data, expectations from the PPII helix structure, and the results from MD simulations. The persistence lengths for the longer peptides were found to lie at 30-70 A in water and 220 +/- 40 A in propylene glycol, suggesting a more rigid PPII helical structure in propylene glycol. A detailed comparison with literature data on FRET in polyprolines demonstrates that the donor-acceptor distances extracted by FRET are correlated with the F?rster radii of the employed FRET pairs. This demonstrates the limitations of using FRET as a spectroscopic ruler for short polyprolines, which is presumably due to the breakdown of the point dipole approximation in F?rster theory, when the size of the chromophores becomes comparable or larger than the distances under investigation. 相似文献
43.
Jena Sudipta Ray Asit Sahoo Ambika Kamila Pradeep Kumar Nayak Sanghamitra Panda Pratap Chandra 《Chemistry of Natural Compounds》2021,57(6):1147-1149
Chemistry of Natural Compounds - 相似文献
44.
A first principle study of hydrogen storage in titanium-doped small carbon clusters (C2nTin,n = 2–6)
Structural Chemistry - Hydrogen storage in Ti-doped small carbon clusters, C2nTin (n = 2–6), has been studied using density functional theory. Using the principle of maximum hardness (η)... 相似文献
45.
46.
Dr. Thangavel Vijayakanth Supriya Sahoo Premkumar Kothavade Vijay Bhan Sharma Prof. Dr. Dinesh Kabra Dr. Jan K. Zaręba Dr. Kadhiravan Shanmuganathan Prof. Dr. Ramamoorthy Boomishankar 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2023,135(3):e202214984
Hybrid materials possessing piezo- and ferroelectric properties emerge as excellent alternatives to conventional piezoceramics due to their merits of facile synthesis, lightweight nature, ease of fabrication and mechanical flexibility. Inspired by the structural stability of aminophosphonium compounds, here we report the first A3BX6 type cyanometallate [Ph2(iPrNH)2P]3[Fe(CN)6] ( 1 ), which shows a ferroelectric saturation polarization (Ps) of 3.71 μC cm−2. Compound 1 exhibits a high electrostrictive coefficient (Q33) of 0.73 m4 C−2, far exceeding those of piezoceramics (0.034–0.096 m4 C−2). Piezoresponse force microscopy (PFM) analysis demonstrates the polarization switching and domain structure of 1 further confirming its ferroelectric nature. Furthermore, thermoplastic polyurethane (TPU) polymer composite films of 1 were prepared and employed as piezoelectric nanogenerators. Notably, the 15 wt % 1 -TPU device gave a maximum output voltage of 13.57 V and a power density of 6.03 μW cm−2. 相似文献
47.
Dr. Shubham Dutta Dr. Rajendra K. Mallick Prof. Dr. Akhila K. Sahoo 《Angewandte Chemie (International ed. in English)》2023,62(30):e202300816
The use of ynamides in organic synthesis has gained significant attention due to their ability to provide access to complex molecular structures through transformations such as 1,2-difunctionalization and annulation reactions. These reactions enable the formation of highly functionalized N-bearing olefins and unusual N-bearing heterocycles. In this minireview, we present a systematic overview of the regioselective difunctionalization and annulation reactions of ynamides. We discuss the multi-component reactions, and radical-triggered functionalizations across the ynamides carbon–carbon multiple bonds and the use of bifunctional reagents in annulation of ynamides, highlighting their potential in expanding the substrate scope. Furthermore, we provide insights into the mechanistic breakthroughs that have been achieved in recent years in the development of these reactions. Finally, we emphasize the promising future prospects of ynamides as versatile building blocks for the synthesis of complex molecular architectures. 相似文献
48.
Ch.?Binek P.?Borisov Xi?Chen A.?Hochstrat S.?Sahoo W.?KleemannEmail author 《The European Physical Journal B - Condensed Matter and Complex Systems》2005,45(2):197-201
Perpendicular exchange bias (PEB) involving perpendicular
magnetic anisotropy (PMA) in both the antiferromagnetic (AF) pinning and the
ferromagnetic (FM) sensor layer is expected to become important in future
perpendicular recording and sensing devices. Further, because of the reduced
spin dimensionality, PEB promises to be easier understandable than the
conventional planar exchange bias (EB). In addition to its first realization
using the Ising-type AF compounds FeF2 and FeCl2 we have tested
control strategies of EB being alternative to the conventional magnetic and
thermal ones. Indeed, specific symmetry properties of the pinning layer have
been shown to enable mechanical (viz. piezomagnetic via FeF2) and electric
control (viz. magneto-electric via Cr2O3) of EB, respectively.
Electric control promises to become relevant for TMR devices in MRAM
technology. 相似文献
49.
C.?SurEmail author B. K.?Sahoo R. K.?Chaudhuri B. P.?Das D.?Mukherjee 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2005,32(1):25-31
We have employed the relativistic coupled cluster theory to calculate
the magnetic dipole and electric quadrupole hyperfine constants for
the ground and low lying excited states of singly ionized magnesium.
Comparison with experimental and the other theoretical results are
done and predictions are also made for a few low lying excited states
which could be of interest. We have made comparative studies of the
important many body effects contributing to the hyperfine constants
for the different states of the ion. 相似文献
50.
The reaction of [Cp*MoCl(4)] with an excess of LiBH(4), followed by thermolysis with tellurium powder in toluene, afforded a tricapped cubane cluster, [(Cp*Mo)(4)B(4)H(4)(μ(4)-BH)(3)] (1), which represents an unprecedented metal-rich metallaborane cluster with a cubane core containing 58 cluster valence electrons (cve) and three metal-metal bonds. 相似文献