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41.
Giuseppe Werber Francesco Buccheri Nicol Vivona Manlio Gentile 《Journal of heterocyclic chemistry》1978,15(8):1393-1398
The factors influencing the reactivity of α-thienylglyoxal monosemicarbazones when treated with cyclizing reagents (bromine/sodium acetate and hydrobromic acid in acetic acid) were investigated. Depending on the experimental conditions, on the position of the substituent on the semicarbazide residue, and on the cyclizing agent, the substrates 1a-e give the semicarbazone bromides 2a-b, 5 , the 1,3,4-oxadiazoles 3a-c , the 1,2,4-triazine 11 and the 2,3,4,5-tetrahydro-1,2,4-triazine-3-ones 6, 8 and 9 . Compound 6 by thermolysis undergoes ring contraction in the Δ2-1,3,4-oxadiazoline 12 , while treatment with base involves the conversion of 6 into 1,2,4-triazol-5-one 13 . Ir, nmr and mass spectra support the reported structures. 相似文献
42.
van Wijk AA Spaans A Uzunbajakava N Otto C de Groot HJ Lugtenburg J Buda F 《Journal of the American Chemical Society》2005,127(5):1438-1445
To resolve the molecular basis of the coloration mechanism of alpha-crustacyanin, we used (13)C-labeled astaxanthins as chromophores for solid-state (13)C NMR and resonance Raman spectroscopy of [6,6',7,7']-(13)C(4) alpha-crustacyanin and [8,8',9,9',10,10',11,11',20,20']-(13)C(10) alpha-crustacyanin. We complement the experimental data with time-dependent density functional theory calculations on several models based on the structural information available for beta-crustacyanin. The data rule out major changes and strong polarization effects in the ground-state electron density of astaxanthin upon binding to the protein. Conformational changes in the chromophore and hydrogen-bond interactions between the astaxanthin and the protein can account only for about one-third of the total bathochromic shift in alpha-crustacyanin. The exciton coupling due to the proximity of two astaxanthin chromophores is found to be large, suggesting that aggregation effects in the protein represent the primary source of the color change. 相似文献
43.
Diego Di Girolamo Francesco Di Giacomo Fabio Matteocci Andrea Giacomo Marrani Danilo Dini Antonio Abate 《Chemical science》2020,11(30):7746
The power conversion efficiency (PCE) of NiO based perovskite solar cells has recently hit a record 22.1% with a hybrid organic–inorganic perovskite composition and a PCE above 15% in a fully inorganic configuration was achieved. Moreover, NiO processing is a mature technology, with different industrially attractive processes demonstrated in the last few years. These considerations, along with the excellent stabilities reported, clearly point towards NiO as the most efficient inorganic hole selective layer for lead halide perovskite photovoltaics, which is the topic of this review. NiO optoelectronics is discussed by analysing the different doping mechanisms, with a focus on the case of alkaline and transition metal cation dopants. Doping allows tuning the conductivity and the energy levels of NiO, improving the overall performance and adapting the material to a variety of perovskite compositions. Furthermore, we summarise the main investigations on the NiO/perovskite interface stability. In fact, the surface of NiO is commonly oxidised and reactive with perovskite, also under the effect of light, thermal and electrical stress. Interface engineering strategies should be considered aiming at long term stability and the highest efficiency. Finally, we present the main achievements in flexible, fully printed and lead-free perovskite photovoltaics which employ NiO as a layer and provide our perspective to accelerate the improvement of these technologies. Overall, we show that adequately doped and passivated NiO might be an ideal hole selective layer in every possible application of perovskite solar cells.The power conversion efficiency of NiO based perovskite solar cells has recently hit a record 22.1%. Here, the main advances are reviewed and the role of NiO in the next breakthroughs is discussed. 相似文献
44.
Giancarlo Marconi Sandra Monti Francesco Manoli Alessandra DegliEsposti Andrea Guerrini 《Helvetica chimica acta》2004,87(9):2368-2377
The circular dichroism (CD) spectra of the powerful antimalarian active principle artemisinin (ART; 1 ) from Artemisia annua, and of epiartemisinin (EPI, 2), its C(7) epimer, were studied in solution in the presence and absence of β‐cyclodextrin (β‐cd). A significant inversion of sign in the region of the second electronic transition was detected. The rotational strengths were successfully calculated within the time‐dependent density functional theory (DFT), which enabled us to establish a correlation between the molecular recognition and the biological acitivities of the two isomers. 相似文献
45.
Sandro Calogero Paolo Ganis Valerio Peruzzo Giuseppe Tagliavini Giovanni Valle 《Journal of organometallic chemistry》1981,220(1):11-20
The structures of tricyclohexyltin fluoride (I), bromide (II) and iodide (III) have been determined by X-ray analysis. Compound I crystallizes in the space group P21/m with a = 10.422(6), b = 17.238(9), c = 5.769(3) Å, β = 104.6(1)° and Z = 2. Compounds II and III crystallize in the space group Pcmn with a = 10.427(6), b = 16.914(9), c = 11.366(6) Å, Z = 4; and a = 10.400(6), b = 16.900(10), c = 11.400(4) Å, Z = 4, respectively. All three structures consist of discrete tetrahedral (cyclo-C6H11)3SnX units.The temperature dependence of the Mössbauer resonance areas has been examined in order to obtain information about the relationship between chemical structure and lattice dynamics. 相似文献
46.
Francesco Trotta Giancarlo Cravotto Stefano Rossignoli 《Journal of inclusion phenomena and macrocyclic chemistry》2002,44(1-4):293-296
Oxidative couplings of 2-naphthol, 6-bromo-2-naphthol and2-naphthylamine were achieved at room temperature in the presence of H2O2, horseradish peroxidase and a suitable cyclodextrin.2-Thionaphthol behaved differently, yielding the corresponding disulfide. Yields of binaphthyl derivatives were generally excellent, and a fairly good enantiomeric excess was observed. Under similar reaction conditions methyl 2-(6-methoxy-2-naphthyl) propanoate, when treated with esterase in the presence of cyclodextrin, yielded naproxen (a well-known anti-inflammatory drug) with a good enantiomeric excess. No reaction product was detected in the absence of cyclodextrin. Cyclodextrins do not act as simple transfer agents. 相似文献
47.
Gaetano Alberghina Maria Emanuela Amato Francesco Agatino Bottino Antonino Corsaro Salvatore Fisichella 《Journal of heterocyclic chemistry》1986,23(6):1747-1752
The 1H-nmr data of some (Z)-α-(p-substituted-phenyl)-β-(2-furyl), -(2-pyrrolyl), and -(N-methyl-2-pyrrolyl)-acrylonitriles have been investigated to indicate the preferred conformation and to establish the conformational preferences of the β-heterocyclic ring. The ultraviolet spectra have been discussed in order to obtain information about the chromophores responsible for the absorption. The infrared spectra have been analyzed for the identification of the main absorption frequencies of cyano and ethylenic groups and to assign the characteristic absorption bands to specific normal vibrations of the heteroaromatic nuclei. 相似文献
48.
49.
Arosio D Fontanella M Baldini L Mauri L Bernardi A Casnati A Sansone F Ungaro R 《Journal of the American Chemical Society》2005,127(11):3660-3661
A high-affinity ligand of cholera toxin, the divalent glycocalix[4]arene 1, was obtained by exploiting a combination of structure-based design of glycomimetic monovalent ligands and affinity enhancements by multivalent presentation through a calix[4]arene scaffold. It exhibits a slightly higher affinity for the toxin than its natural ligand, the GM1 oligosaccharide. 相似文献
50.
De Riccardis F Di Filippo M Garrisi D Izzo I Mancin F Pasquato L Scrimin P Tecilla P 《Chemical communications (Cambridge, England)》2002,(24):3066-3067
The Na+ transporting properties of the first member of a new class of artificial ionophores, based on a C2-symmetric polyhydroxylated steroid dimer, are described. 相似文献