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排序方式: 共有302条查询结果,搜索用时 15 毫秒
1.
Hui Yang Xing Chen Guoxiang Hu Wan-Ting Chen Siobhan J. Bradley Weijie Zhang Gaurav Verma Thomas Nann De-en Jiang Paul E. Kruger Xiangke Wang He Tian Geoffrey I. N. Waterhouse Shane G. Telfer Shengqian Ma 《Chemical science》2020,11(13):3523
Optimizing interfacial contacts and thus electron transfer phenomena in heterogeneous electrocatalysts is an effective approach for enhancing electrocatalytic performance. Herein, we successfully synthesized ultrafine β-Mo2C nanoparticles confined within hollow capsules of nitrogen-doped porous carbon (β-Mo2C@NPCC) and found that the surface layer of molybdenum atoms was further oxidized to a single Mo–O surface layer, thus producing intimate O–Mo–C interfaces. An arsenal of complementary technologies, including XPS, atomic-resolution HAADF-STEM, and XAS analysis clearly reveals the existence of O–Mo–C interfaces for these surface-engineered ultrafine nanostructures. The β-Mo2C@NPCC electrocatalyst exhibited excellent electrocatalytic activity for the hydrogen evolution reaction (HER) in water. Theoretical studies indicate that the highly accessible ultrathin O–Mo–C interfaces serving as the active sites are crucial to the HER performance and underpinned the outstanding electrocatalytic performance of β-Mo2C@NPCC. This proof-of-concept study opens a new avenue for the fabrication of highly efficient catalysts for HER and other applications, whilst further demonstrating the importance of exposed interfaces and interfacial contacts in efficient electrocatalysis.Ultrafine β-Mo2C nanostructures encapsulated in N-doped carbon capsules featuring O–Mo–C interfaces as the active sites for HER have been unveiled. 相似文献
2.
Parallel rods / tubes flame support layers were used to study variations in geometry and materials on radiant burner performance. An increased density of rods increased the efficiency, as more surface area was provided to extract the heat of combustion. This effect was attenuated far fraction closed areas above 0·33 because of increased interference of direct base-to-load radiation. Thinner rods (with fraction closed area constant), having a lower thermal conduction resistance, fostered higher efficiency. Greater distances between the base and rods decreased efficiency due to air entrainment. This functioned to cool the base, increasing the range of combustion intensities where a portion of combustion lifted from the burner base. Isolation of radiating materials from conducting to the burner housing resulted in a ~ 5% upward shift in efficiency. Low to high efficiency was measured for alumina, mullite, and oxidized stainless steel rods, respectively; this was related directly to the emittances of the materials used. SiC and MoSi2 coatings on alumina rods resulted in burners which were as efficient as one with stainless steel rods. A burner designed as a restricted band spectral emitter was not as efficient in its high-emission range as a more graybody emitter under the same combustion intensity; the higher-temperature spectral emitter discouraged extraction of sensible heat from the combustion product stream. 相似文献
3.
The numerical investigation of wave propagation in the asymptotic domain of Kerr spacetime has only recently been possible thanks to the construction of suitable hyperboloidal coordinates. The asymptotics revealed an apparent puzzle in the decay rates of scalar fields: the late-time rates seemed to depend on whether finite distance observers are in the strong field domain or far away from the rotating black hole, an apparent phenomenon dubbed ‘splitting.’ We discuss far-field ‘splitting’ in the full field and near-horizon ‘splitting’ in certain projected modes using horizon-penetrating, hyperboloidal coordinates. For either case we propose an explanation to the cause of the ‘splitting’ behavior, and we determine uniquely decay rates that previous studies found to be ambiguous or immeasurable. The far-field ‘splitting’ is explained by competition between projected modes. The near-horizon ‘splitting’ is due to excitation of lower multipole modes that back excite the multipole mode for which ‘splitting’ is observed. In both cases ‘splitting’ is an intermediate effect, such that asymptotically in time strong field rates are valid at all finite distances. At any finite time, however, there are three domains with different decay rates whose boundaries move outwards during evolution. We then propose a formula for the decay rate of tails that takes into account the inter-mode excitation effect that we study. 相似文献
4.
Sharma Abhishek K. Agrahari Gaurav Tiwari C. B. Tomar B. S. Yelgaonkar V. N. 《Journal of Radioanalytical and Nuclear Chemistry》2020,324(1):143-147
Journal of Radioanalytical and Nuclear Chemistry - In the traditional medicine of Iran, some herbal medicines are used for treating of high blood sugar. In this study, the concentration of Ca, Cr,... 相似文献
5.
Priyanka Sharma Rupesh Kumar Gaurav Bhargava 《Journal of heterocyclic chemistry》2020,57(12):4115-4135
Pyrrolin-4-ones/pyrrolin-3-ones and its derivatives are important heterocyclic systems which are observed in vast variety of natural products, pharmaceuticals, and biologically important compounds. Different researchers all across the world have developed different synthetic methodologies for the construction of functionalized pyrrolin-4-ones/pyrrolin-3-one scaffolds such as the transition-metal catalyzed/mediated cycloisomerizations of 1-aminoynones and dimerization of enaminones or α-diazo-β-oxoamides etc. The present review article summarizes various reports on the synthesis of various simple and functionalized pyrrolin-4-ones/pyrrolin-3-ones from 2000 onward. 相似文献
6.
Saurav Goel Sara Hawi Gaurav Goel Vijay Kumar Thakur Anupam Agrawal Clare Hoskins Oliver Pearce Tanvir Hussain Hari M. Upadhyaya Graham Cross Asa H. Barber 《Materials Today Chemistry》2020
The world is witnessing tumultuous times as major economic powers including the US, UK, Russia, India, and most of Europe continue to be in a state of lockdown. The worst-hit sectors due to this lockdown are sales, production (manufacturing), transport (aerospace and automotive) and tourism. Lockdowns became necessary as a preventive measure to avoid the spread of the contagious and infectious “Coronavirus Disease 2019” (COVID-19). This newly identified disease is caused by a new strain of the virus being referred to as Severe Acute Respiratory Syndrome CoronaVirus 2 (SARS CoV-2; formerly called 2019-nCoV). We review the current medical and manufacturing response to COVID-19, including advances in instrumentation, sensing, use of lasers, fumigation chambers and development of novel tools such as lab-on-the-chip using combinatorial additive and subtractive manufacturing techniques and use of molecular modelling and molecular docking in drug and vaccine discovery. We also offer perspectives on future considerations on climate change, outsourced versus indigenous manufacturing, automation, and antimicrobial resistance. Overall, this paper attempts to identify key areas where manufacturing can be employed to address societal challenges such as COVID-19. 相似文献
7.
Matheus Dorneles de Mello Gaurav Kumar Tarnuma Tabassum Sheetal K. Jain Tso‐Hsuan Chen Stavros Caratzoulas Xinyu Li Dionisios G. Vlachos Songi‐I Han Susannah L. Scott Paul Dauenhauer Michael Tsapatsis 《Angewandte Chemie (International ed. in English)》2020,59(32):13260-13266
Phosphorus‐modified all‐silica zeolites exhibit activity and selectivity in certain Brønsted acid catalyzed reactions for biomass conversion. In an effort to achieve similar performance with catalysts having well‐defined sites, we report the incorporation of Brønsted acidity to metal–organic frameworks with the UiO‐66 topology, achieved by attaching phosphonic acid to the 1,4‐benzenedicarboxylate ligand and using it to form UiO‐66‐PO3H2 by post‐synthesis modification. Characterization reveals that UiO‐66‐PO3H2 retains stability similar to UiO‐66, and exhibits weak Brønsted acidity, as demonstrated by titrations, alcohol dehydration, and dehydra‐decyclization of 2‐methyltetrahydrofuran (2‐MTHF). For the later reaction, the reported catalyst exhibits site‐time yields and selectivity approaching that of phosphoric acid on all‐silica zeolites. Using solid‐state NMR and deprotonation energy calculations, the chemical environments of P and the corresponding acidities are determined. 相似文献
8.
Manohar Mahato Gaurav Rana Pradeep Kumar Ashwani Kumar Sharma 《Journal of polymer science. Part A, Polymer chemistry》2012,50(12):2344-2355
Highly toxic polyallylamine (PA) was reacted with a varying amount of a novel linker, 6‐(N,N,N′,N′‐tetramethylguanidinium chloride) hexanoic acid (Tmg‐HA), to prepare a series of tetramethylguanidinium‐PA (Tmg‐PA) polymers, which were used as vectors for gene transfection. The extent of attachment of the linker, Tmg‐HA, to the PA backbone was determined by 2,4,6‐trinitrobenzene sulfonic acid assay. The modified polymers (Tmg‐PAs), when complexed with pDNA, exhibited good condensation ability. The nanoparticles, so formed, were characterized by their size and zeta potential and were subsequently evaluated for their toxicity and transfection ability on various mammalian cells, viz., HeLa, CHO, and HEK 293 cells. Mobility shift assay revealed that on increasing the percent substitution of Tmg‐HA onto PA (from Tmg‐PA1 to Tmg‐PA6), relatively higher amounts of modified polymers were required to retard the mobility of a fixed amount of DNA. Besides, Tmg‐PA polymers provided sufficient protection (ca. 84–88%) to bound DNA against nucleases and one of the formulations, Tmg‐PA2 (ca. 15% substitution) displayed the highest transfection efficiency outcompeting the commercial transfection reagent, Lipofectamine? with minimal cytotoxicity. More impressively, the transfection efficiency increased despite recording a decrease in the buffering capacity of the grafted polymers suggesting that buffering capacity is not the sole parameter in determining the gene delivery efficiency of a vector system. © 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2012 相似文献
9.
An analytic theory for the Knudsen self-diffusivity D(s) of hard spheres in an atomically rough slit-shaped pore is presented which quantitatively matches simulation results. The theory assumes that, due to chaotic molecular trajectories caused by surface morphology, collisions of gas molecules with the wall are partly diffuse and partly specular, the relative magnitude of each depending upon the magnitude of the tangential momentum accommodation coefficient f. The theory thus represents a universal Knudsen fluctuation-dissipation correlation between longitudinal momentum loss and diffusivity that can simplify efforts to estimate D(s). It is also found that D(s) computed using Maxwell's theory of slip, in which collisions with the walls are assumed to be purely diffuse or specular, overpredicts the simulated D(s) by a large margin. 相似文献
10.
Moamen S. Refat Ahmed Gaber Yusuf S. Althobaiti Hussain Alyami Walaa F. Alsanie Sonam Shakya Abdel Majid A. Adam Mohamed I. Kobeasy Kareem A. Asla 《Molecules (Basel, Switzerland)》2022,27(13)
New Cu(II), Ni(II), Co(II), and Mn(II) complexes of the gabapentin (Gpn) bidentate drug ligand were synthesized and studied using elemental analyses, melting temperatures, molar conductivity, UV–Vis, magnetic measurements, FTIR, and surface morphology (scanning (SEM) and transmission (TEM) electron microscopes).The gabapentin ligand was shown to form monobasic metal:ligand (1:1) stoichiometry complexes with the metal ions Cu(II), Ni(II), Co(II), and Mn(II). Molar conductance measurements in dimethyl-sulfoxide solvent with a concentration of 10−3 M correlated to a non-electrolytic character for all of the produced complexes. A deformed octahedral environment was proposed for all metal complexes. Through the nitrogen atom of the –NH2 group and the oxygen atom of the carboxylate group, the Gpn drug chelated as a bidentate ligand toward the Mn2+, Co2+, Ni2+, and Cu2+ metal ions. This coordination behavior was validated by spectroscopic, magnetic, and electronic spectra using the formulas of the [M(Gpn)(H2O)3(Cl)]·nH2O complexes (where n = 2–6).Transmission electron microscopy was used to examine the nanostructure of the produced gabapentin complexes. Molecular docking was utilized to investigate the comparative interaction between the Gpn drug and its four metal [Cu(II), Ni(II), Co(II), and Mn(II)] complexes as ligands using serotonin (6BQH) and dopamine (6CM4) receptors. AutoDock Vina results were further refined through molecular dynamics simulation, and molecular processes for receptor–ligand interactions were also studied. The B3LYP level of theory and LanL2DZ basis set was used for DFT (density functional theory) studies. The optimized geometries, along with the MEP map and HOMO → LUMO of the metal complexes, were studied. 相似文献