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2.
ABSTRACTDirect bandgap semiconductors are very essential to fulfil the demand for the advancement in optoelectronic devices. Therefore it is important to predict new potential candidates having such unique features. In current work, Sr3X2 (X=N, P, As, Sb and Bi) compounds have been reported for the first time by well trusted FP-APW+lo method. For the better prediction of the energy band gap, mBJ is used alongwith routine generalised gradient approximation (GGA). The results show small and direct energy band gaps at Γ-Γ symmetry points with magnitude in the range from 0.62?eV (Sr3P2) to zero energy band gap (Sr3Bi2). In partial density of state Sr-d state and X-p state are contributed in the band structure. The compounds show mostly covalent bonding nature. The frequecy dependent optical properties in the linear optical range are also investigated. 相似文献
3.
This paper deals with the study of the MHD flow of non-Newtonian fluid on a porous plate. Two exact solutions for non-torsionally generated unsteady hydromagnetic flow of an electrically conducting second order incompressible fluid bounded by an infinite non-conducting porous plate subjected to a uniform suction or blowing have been analyzed. The governing partial differential equation for the flow has been established. The mathematical analysis is presented for the hydromagnetic boundary layer flow neglecting the induced magnetic field. The effect of presence of the material constants of the second order fluid on the velocity field is discussed. 相似文献
4.
Bakhtar Ullah Yuli Zhou Jingwen Chen Zongbi Bao Yiwen Yang Qiwei Yang Qilong Ren Zhiguo Zhang 《Tetrahedron letters》2019,60(4):348-351
Thiourea itself has been introduced as a mild and efficient organocatalyst for the oxidative α -cyanation of N-aryltetrahydroisoquinolines (THIQs) with trimethylsilyl cyanide (TMSCN), giving the corresponding products in good to excellent yields. Experimental investigations demonstrated that thiourea acts as a radical initiator by abstracting hydroxyl radical (OH) from tert-butyl hydroperoxide (TBHP) directly instead of non-covalent hydrogen bondings (H-bondings) activation. The use of thiourea as a radical initiator offers a new avenue for innovative chemical transformations in organocatalyzed radical chemistry. 相似文献
5.
Md Sharif Ullah Vladimir V. Zhivonitko Anatoliy Samoylenko Artem Zhyvolozhnyi Sirja Viitala Santeri Kankaanp Sanna Komulainen Leif Schrder Seppo J. Vainio Ville-Veikko Telkki 《Chemical science》2021,12(24):8311
Exosomes are a subset of secreted lipid envelope-encapsulated extracellular vesicles (EVs) of 50–150 nm diameter that can transfer cargo from donor to acceptor cells. In the current purification protocols of exosomes, many smaller and larger nanoparticles such as lipoproteins, exomers and microvesicles are typically co-isolated as well. Particle size distribution is one important characteristics of EV samples, as it reflects the cellular origin of EVs and the purity of the isolation. However, most of the physicochemical analytical methods today cannot illustrate the smallest exosomes and other small particles like the exomers. Here, we demonstrate that diffusion ordered spectroscopy (DOSY) nuclear magnetic resonance (NMR) method enables the determination of a very broad distribution of extracellular nanoparticles, ranging from 1 to 500 nm. The range covers sizes of all particles included in EV samples after isolation. The method is non-invasive, as it does not require any labelling or other chemical modification. We investigated EVs secreted from milk as well as embryonic kidney and renal carcinoma cells. Western blot analysis and immuno-electron microscopy confirmed expression of exosomal markers such as ALIX, TSG101, CD81, CD9, and CD63 in the EV samples. In addition to the larger particles observed by nanoparticle tracking analysis (NTA) in the range of 70–500 nm, the DOSY distributions include a significant number of smaller particles in the range of 10–70 nm, which are visible also in transmission electron microscopy images but invisible in NTA. Furthermore, we demonstrate that hyperpolarized chemical exchange saturation transfer (Hyper-CEST) with 129Xe NMR indicates also the existence of smaller and larger nanoparticles in the EV samples, providing also additional support for DOSY results. The method implies also that the Xe exchange is significantly faster in the EV pool than in the lipoprotein/exomer pool.Diffusion and xenon NMR based methods to determine a very broad range of sizes and sub-sets of extracellular vesicles. 相似文献
6.
Bose G Nguyen VT Ullah E Lahiri S Görls H Langer P 《The Journal of organic chemistry》2004,69(26):9128-9134
The Lewis acid mediated domino "[3+3]-cyclization-homo-Michael" reaction of 1,3-bissilyl enol ethers with 1,1-diacylcyclopropanes allows an efficient one-pot synthesis of functionalized salicylates containing a halogenated side chain. A great variety of substitution patterns could be realized by variation of the starting materials and of the Lewis acid. The mechanism of the domino process was studied. 相似文献
7.
A variational analysis of the spiked harmonic oscillator Hamiltonian –d
2/dr2 +r
2 +/r
5/2,>0, is reported. A trial function automatically satisfying both the Dirichlet boundary condition at the origin and the boundary condition at infinity is introduced. The results are excellent for a very large range of values of the coupling parameter, suggesting that the present variational function is appropriate for the treatment of the spiked oscillator in all its regimes (strong, moderate, and weak interactions). 相似文献
8.
Mohammad Shakir Shahul Hameed Farha Firdaus Saji P. Varkey 《Transition Metal Chemistry》1995,20(2):142-143
Summary Adducts of dichlorosulphato bis(1,3-propylenediamine)-metal(II) complexes with dialkyltin dichlorides, [R2Sn(MeCN) 2]2[M(NH(CH2)3NH)2(SO3Cl)2] (M = Cr, Fe, Co, Ni or Cu; R = Me or n-Bu) have been prepared. The positive shift in the symmetric SO3 stretch and splitting of the doubly degenerate (E) modes in their i.r. spectra suggest a covalent linkage for the SO3Cl– group. The adducts are non-electrolytes; magnetic moments and ligand field data suggest that each SO3Cl– group is monodentate, generating an octahedral geometry around the metal ions, except for NiII where tetragonal distortion is observed.Author to whom all correspondence should be directed. 相似文献
9.
Summary The number and positions of the i.r. active modes in ethylenediamine complexes of M(SO3Cl)2 (M = Mn, Fe, Co, Ni or Cu) suggest that the SO3Cl– anion is covalently bound in these non-electrolytic complexes. Magnetic moments and ligand field data suggest that each SO3Cl– group is monodentate, giving an octahedral geometry around the metal ions. 相似文献
10.
Ali Raza Hala A. Hejazi Sami Ullah Khan M. Ijaz Khan Kamel Smida Iskander Tlili 《印度化学会志》2022,99(7):100568
In this investigation, a mixed convective nanoparticles fluid flow over an inclined plate is deliberated. The effects of slip boundary wall and magnetic field are also considered. The dimensionless governing system for the considered problem is attained by implementing recent definitions of fractional derivatives (FD). The generalized solution is obtained through the Laplace Transformation Scheme (LTS) for the momentum and thermal expressions. To improve the novelty and to demonstrate some more physical perception of the stated research work, some remarkable special cases of velocity distribution through CF and AB-fractional derivative concept are addressed, whose daily life implication is well known in the existing literature. Moreover, to evaluate the physical interest of the stated problem, the outcomes of the obtained system graphical illustrations are made by utilizing MATHEMATICA. As a result, we concluded that the aluminium oxide nanoparticles show more decaying behavior as compared to titanium oxide nanoparticles for temperature and velocity profile. Furthermore, both fields i.e., momentum and thermal distributions are increased with the help of rising estimations parameter. Current results report novel applications in enhancement of heat transfer, thermal engineering, chemical processes, engineering and electronics devices, solar systems, extrusion processes, fission reactions etc. 相似文献