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31.
Anirban Bhandari Saikat Mishra Dr. Ram Chandra Maji Akhilesh Kumar Prof. Dr. Marilyn M. Olmstead Prof. Dr. Apurba K. Patra 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(23):9262-9270
According to the well-accepted mechanism, methyl-coenzyme M reductase (MCR) involves Ni-mediated thiolate-to-disulfide conversion that sustains its catalytic cycle of methane formation in the energy saving pathways of methanotrophic microbes. Model complexes that illustrate Ni-ion mediated reversible thiolate/disulfide transformation are unknown. In this paper we report the synthesis, crystal structure, spectroscopic properties and redox interconversions of a set of NiII complexes comprising a tridentate N2S donor thiol and its analogous N4S2 donor disulfide ligands. These complexes demonstrate reversible NiII-thiolate/NiII-disulfide (both bound and unbound disulfide-S to NiII) transformations via thiyl and disulfide monoradical anions that resemble a primary step of MCR's catalytic cycle. 相似文献
32.
The N-heterocyclic carbene, imidazole-2-ylidene, and its main group (13-15) analogues contain cyclically conjugated 6π electrons. Experimental 1H nuclear magnetic resonance (NMR) spectra suggest an increase in aromaticity along a period from left to right. Whereas the order along a group is as follows: period 2 > period 5 > period 4 > period 3 due to change in structure. To understand the order of aromaticity, the magnetically induced ring currents of the molecules are calculated using aromatic ring current shielding, gauge-including magnetically induced currents (GIMIC) method and Stanger's σ-model applying the gauge-including atomic orbitals NMR technique. It is found that GIMIC best describes the order of aromaticity especially along a group where current-profile changes on the bivalent atom down a group due to change in electron density. Moreover, the GIMIC provides the visualization of current by sign modulus and the anisotropy of the induced current density plots. 相似文献
33.
Helium clustering and bubble growth have been studied in Ni and Ni-1 at % Ti through positron lifetime measurements. Helium pressure in the bubble as well as bubble concentration have been estimated and compared for the cases of Ni and Ni-1 at % Ti. The results seem to indicate enhanced helium trapping due to substitutional Ti impurity in the host Ni. 相似文献
34.
Effect of Controlled Deposition of ZnS Shell on the Photostability of CdTe Quantum Dots as Studied by Conventional Fluorescence and FCS Techniques
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The effect of one and two monolayers of ZnS shells on the photostability of CdTe quantum dots (QDs) in aqueous and nonaqueous media has been studied by monitoring the fluorescence behavior of the QDs under ensemble and single‐molecule conditions. ZnS capping of the CdTe QDs leads to significant enhancement of the fluorescence brightness of these QDs. Considerable enhancement of the photostability of the shell‐protected QDs, including the suppression of photoactivation, is also observed. Fluorescence correlation spectroscopy measurements reveal an increase in the number of particles undergoing reversible fluorescent on–off transitions in the volume under observation with increasing excitation power; this effect is found to be more pronounced in the case of core‐only QDs than for core–shell QDs. 相似文献
35.
Harihara Padhy Jen‐Hsien Huang Duryodhan Sahu Dhananjaya Patra Dhananjay Kekuda Chih‐Wei Chu Hong‐Cheu Lin 《Journal of polymer science. Part A, Polymer chemistry》2010,48(21):4823-4834
A series of soluble donor‐acceptor conjugated polymers comprising of phenothiazine donor and various benzodiazole acceptors (i.e., benzothiadiazole, benzoselenodiazole, and benzoxadiazole) sandwiched between hexyl‐thiophene linkers were designed, synthesized, and used for the fabrication of polymer solar cells (PSC). The effects of the benzodiazole acceptors on the thermal, optical, electrochemical, and photovoltaic properties of these low‐bandgap (LBG) polymers were investigated. These LBG polymers possessed large molecular weight (Mn) in the range of 3.85?5.13 × 104 with high thermal decomposition temperatures, which demonstrated broad absorption in the region of 300?750 nm with optical bandgaps of 1.80?1.93 eV. Both the HOMO energy level (?5.38 to ?5.47 eV) and LUMO energy level (?3.47 to ?3.60 eV) of the LBG polymers were within the desirable range of ideal energy level. Under 100 mW/cm2 of AM 1.5 white‐light illumination, bulk heterojunction PSC devices containing an active layer of electron donor polymers mixed with electron acceptor [6,6]‐phenyl‐C61‐butyric acid methyl ester (PC61BM) or [6,6]‐phenyl‐C71‐butyric acid methyl ester (PC71BM) in different weight ratios were investigated. The best performance of the PSC device was obtained by using polymer PP6DHTBT as an electron donor and PC71BM as an acceptor in the weight ratio of 1:4, and a power conversion efficiency value of 1.20%, an open‐circuit voltage (Voc) value of 0.75 V, a short‐circuit current (Jsc) value of 4.60 mA/cm2, and a fill factor (FF) value of 35.0% were achieved. © 2010 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2010 相似文献
36.
37.
Diskin-Posner Y Patra GK Goldberg I 《Chemical communications (Cambridge, England)》2002,(13):1420-1421
Targeted synthesis of new supramolecular motifs of metalloporphyrins in crystals by a concerted mechanism of molecular recognition in three dimensions, aided by organic ligands, is presented; it involves induced assembly of [tetrakis(4-hydroxyphenyl)porphyrinato]zinc species by a combination of axial coordination through bridging bipyridyls and of lateral hydrogen bonding. 相似文献
38.
Amarendra Patra Apurba K. Mukhopadhyay Alok K. Mitra Aditi K. Acharyya 《Magnetic resonance in chemistry : MRC》1981,15(1):99-101
Some carbon-13 NMR signal assignments of diazepam, flurazepam, clonazepam and chlordiazepoxide have been revised and the assignments of nitrazepam are reported. The assignments of the various resonances were made by considering the changes in chemical shifts produced by the change of substituents and also by comparison with the chemical shifts of model compounds. 相似文献
39.
Chitta?Ranjan?Patra Yitzhak?Mastai Aharon?GedankenEmail author 《Journal of nanoparticle research》2004,6(5):509-518
Submicrometer sized gallium oxide hydroxide (GaO(OH)) and gallium oxide (Ga2O3) rods have been successfully fabricated on a large scale by refluxing an aqueous solution of Ga(NO3)3 and NH4OH in a simple domestic microwave oven (DMO). The structures, morphologies, compositions and physical properties of the as–synthesized and calcined products have been characterized by powder X-ray diffraction (XRD), transmission electron microscopy (TEM), selected area electron diffraction (SAED), selected area energy dispersive X-ray spectroscopy (SAEDS), thermo gravimetric analysis (TGA), differential scanning calorimetry (DSC), and energy dispersive X-ray (EDX) analysis. TEM images show that submicrometer sized as–synthesized Ga O(OH) rods have diameters of 0.3–0.5 m and lengths of 3.2–3.5 m. The calcined product consists of submicrometer rods with diameters of 0.4–0.5 m and lengths of 5–5.5 m. XRD, EDX and SAED analysis together indicate that the as–synthesized product has an orthorhombic gallium oxide hydroxide (GaO(OH)) crystal structure, and that the calcined product is rhombohedral Ga2O3. A possible mechanism for the formation of submicrometer sized GaO(OH) rods is discussed briefly. 相似文献
40.
M. Patra K. De S. Majumdar S. Giri 《The European Physical Journal B - Condensed Matter and Complex Systems》2007,58(4):367-371
We observe the negative shift of the magnetic hysteresis loop at 5 K, while the sample is cooled in external magnetic field
in case of 30% of Fe substitution in LaMnO3. The negative shift and training effect of the hysteresis loops indicate the phenomenon of exchange bias. The cooling field
dependence of the negative shift increases with the cooling field below 7.0 kOe and then, decreases with further increase
of cooling field. The temperature dependence of the negative shift of the hysteresis loops exhibits that the negative shift
decreases sharply with increasing temperature and vanishes above 20 K. Temperature dependence of dc magnetization and ac susceptibility
measurements show a sharp peak (Tp) at 51 K and a shoulder (Tf) around 20 K. The relaxation of magnetization shows the ferromagnetic and glassy magnetic components in the relaxation process,
which is in consistent with the cluster-glass compound. 相似文献