Cp2TiCl2-catalyzed reaction of symmetrical alkynes with α,ω-dicarboxylic acid esters and ЕtAlCl2: An original pathway to С5-С6 cyclic ketones and tetrasubstituted furans

An original method for the synthesis of С₅-С₆ cyclic ketones and tetrasubstituted furans was developed based on the Cp₂TiCl₂-catalyzed reaction of symmetrical alkynes and α,ω-dicarboxylates in the presence of Mg and ЕtAlCl₂. The length of the hydrocarbon chain between carboxyl groups in a,ω-dicarboxylic acid esters affects the chemoselectivity of the reaction. The formation of 2-alkylidene and 2-alkenyl cyclopent(hex)an-1-ones occurred in the reaction with esters of glutaric and adipic acids. α,ω-Dicarboxylic acid esters with more than four methylene units between carboxyl groups gave rise to substituted furans. Stereochemistry of 2-alkenyl cyclopent(hex)an-1-ones was determined based on the analysis of experimental and theoretical data obtained from DFT calculations.     

Triethylamin-mediated addition of 2-aminoethanethiol hydrochloride to chalcones: Synthesis of 3-(2-aminoethylthio)-1-(aryl)-3-(thiophen-2-yl) propan-1-ones and 5,7-diaryl-2,3,6, 7-tetrahydro-1,4-thiazepines

The triethylamin-mediated addition of 2-aminoethanethiol hydrochloride to chalcone analogs was investigated. This addition, bearing a 2-thienyl group at the 3-position, gave the only addition adduct at room temperature in 3 h, whereas the chalcones bearing the 2-furyl group at the 1-position gave an addition-cyclization product (1, 4-thiazepine) in the same conditions. The effect of the groups to the reaction was investigated by changing the 1- and 3-position groups. The chalcones bearing the 2-thienyl group at the 1-position and the others afforded the mixture of products in different ratio at rt for 0.5–24 h. Moreover, the addition–cyclization products (1,4-thiazepine) were obtained under reflux conditions in 36 h. The structures of the synthesized compounds were elucidated by ¹H NMR, ¹³C NMR, infrared, and elemental analysis.     

Quasi-coherent states for a photon in time varying dielectric media

In this study, we derive the quasi-coherent states for a photon in a medium with time varying dielectric permittivity ${?}_0{e}^{\eta t}$. We introduce a new kind of holomorphic coordinates and solve the Schrödinger equation for a harmonic oscillator with the time dependent parameters by reducing it to the Riccati equation for which the nonstationary solution gives the squeezed states of a photon with non-minimum uncertainties. We also derive the quasi-coherent states and discrete, nonstationary quantum states in the configuration space of a photon.     

Computing robust basestock levels

This paper considers how to optimally set the basestock level for a single buffer when demand is uncertain, in a robust framework. We present a family of algorithms based on decomposition that scale well to problems with hundreds of time periods, and theoretical results on more general models.     

Spectroscopic studies, antimicrobial activities, and crystal structure of N-[2-hydroxy-1-naphthylidene]3, 5-bis(trifluoromethyl)aniline

A new Schiff base compound has been synthesized by the reaction of 2-hydroxy-1-naphthaldehyde with 3,5-bis(trifluoromethyl)aniline.The title compound was characterized by elemental analysis, IR,¹H NMR,¹³C NMR, and UV–Visible techniques.Its UV–Vis spectra was examined in polar and nonpolar solvents and in acidic and basic media. The crystal structure of the compound showed the OH group to be ortho to the imine group. It crystallizes in the monoclinic space group P2₁ with a = 11.328(2), b = 6.125(1), c = 11.937(2) ?, V = 825.1(2) ?³, D _x = 1.543 g cm⁻³and Z = 2. An intramolecular O1- H⋯N1 [2.558(7) ?] hydrogen bond stabilizes the molecule. The compound has also been characterized by its antimicrobial activities. The ligand has been screened in vitro against the organisms Escherichia coli ATCC 11230, Staphylococcus aureus ATCC 6538, Klebsiella pneumoniae UC57, Micrococcus luteus La 2971, Proteus vulgaris ATCC 8427, Pseudomonas aeruginosa ATCC 27853, Mycobacterium smegmatis CCM 2067, Bacillus cereus ATCC 7064, and Listeria monocytogenes ATCC 15313, the yeast cultures Candida albicans ATCC 10231, Kluyveromyces fragilis NRRL 2415, Rhodotorula rubra DSM 70403, Debaryomyces hansenii DSM 70238, and Hanseniaspora guilliermondii DSM 3432.     

Diffusion and binding of CO on Pt nanowires

The diffusion and binding of CO molecules on self organized Pt nanowires on Ge(0 0 1), have been studied by room temperature scanning tunneling microscopy. CO molecules are found to bind at the bridge position of the Pt dimers. The CO molecules are mobile at room temperature and perform an “unrestricted” one-dimensional random walk in defect-free regions of the Pt nanowires.     

N‐heterocyclic carbene–palladium(II) complex supported on magnetic mesoporous silica for Heck cross‐coupling reaction

Magnetic mesoporous silica was prepared via embedding magnetite nanoparticles between channels of mesoporous silica (SBA‐15). The prepared composite (Fe₃O₄@SiO₂‐SBA) was then reacted with 3‐chloropropyltriethoxysilane, sodium imidazolide and 2‐bromopyridine to give 3‐(pyridin‐2‐yl)‐1H‐imidazol‐3‐iumpropyl‐functionalized Fe₃O₄@SiO₂‐SBA as a supported pincer ligand for Pd(II). The functionalized magnetic mesoporous silica was further reacted with [PdCl₂(SMe₂)₂] to produce a supported N‐heterocyclic carbene–Pd(II) complex. The obtained catalyst was characterized using Fourier transform infrared spectroscopy, scanning electron microscopy, energy‐dispersive X‐ray analysis, vibrating sample magnetometry, Brunauer–Emmett–Teller surface area measurement and X‐ray diffraction. The amount of the loaded complex was 80.3 mg g^?1, as calculated through thermogravimetric analysis. The formation of the ordered mesoporous structure of SBA‐15 was confirmed using low‐angle X‐ray diffraction and transmission electron microscopy. Also, X‐ray photoelectron spectroscopy confirmed the presence of the Pd(II) complex on the magnetic support. The prepared magnetic catalyst was then effectively used in the coupling reaction of olefins with aryl halides, i.e. the Heck reaction, in the presence of a base. The reaction parameters, such as solvent, base, temperature, amount of catalyst and reactant ratio, were optimized by choosing the coupling reaction of 1‐bromonaphthalene and styrene as a model Heck reaction. N‐Methylpyrrolidone as solvent, 0.25 mol% catalyst, K₂CO₃ as base, reaction temperature of 120°C and ultrasonication of the catalyst for 10 min before use provided the best conditions for the Heck cross‐coupling reaction. The best results were observed for aryl bromides and iodides while aryl chlorides were found to be less reactive. The catalyst exhibited noticeable stability and reusability.     

Classical and nonlinear buckling analyses of spherical sandwich shells

The buckling and initial postbuckling behavior of clamped shallow spherical sandwich shells with dissimilar face sheets under a uniform pressure is studied. The numerical results show that the buckling and initial post-buckling behavior of clamped shallow spherical sandwich shells with dissimilar face sheets is similar to that of the corresponding homogeneous shell.     

一个解剖基人体下肢的生物动力模型--第一部分: 模型描述

建立一个完整的解剖基人体下肢二维（矢状面内）生物动力模型,该模型仿真了人体下肢的生物动力运动,并可用来计算人体下肢在冲击外载荷或肌肉活性力的作用下,下肢的重要承力部位－膝关节处的结构力（包括：膝关节的咬合接触力、膝关节处四个主要韧带张力等）和人体下肢的肌肉群力;同时本模型也可用来计算人体下肢在运动期间,膝关节处的咬合位移以及膝关节和髋关节的屈伸位移等。另外,模型还为研究人工关节、人工韧带和人工肌肉