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91.
Gayatri Kumari N. R. Patil Venkata Srinu Bhadram Ritesh Haldar Satyanarayana Bonakala Tapas Kumar Maji Chandrabhas Narayana 《Journal of Raman spectroscopy : JRS》2016,47(2):149-155
Interpenetrating metal organic frameworks are interesting functional materials exhibiting exceptional framework properties. Uptake or exclusion of guest molecules can induce sliding in the framework making it porous or non‐porous. To understand this dynamic nature and how framework interaction changes during sliding, metal organic framework (MOF) 508 {Zn(BDC)( 4,4′‐Bipy)0.5 · DMF(H2O)0.5} was selected for study. We have investigated structural transformation in MOF‐508 under variable conditions of temperature, pressure and gas loading using Raman spectroscopy and substantiated it with IR studies and density functional theory (DFT) calculations. Conformational changes in the organic linkers leading to the sliding of the framework result in changes in Raman spectra. These changes in the organic linkers are measured as a function of high pressure and low temperature, suggesting that the dynamism in MOF‐508 framework is driven by ligand conformation change and inter‐linker interactions. The presence of Raman signatures of adsorbed CO2 and its librational mode at 149 cm−1 suggests cooperative adsorption of CO2 in the MOF‐508 framework, which is also confirmed from DFT calculations that give a binding energy of 34 kJ/mol. Copyright © 2015 John Wiley & Sons, Ltd. 相似文献
92.
Ivana Defrenza Alessia Catalano Alessia Carocci Antonio Carrieri Marilena Muraglia Antonio Rosato Filomena Corbo Carlo Franchini 《Journal of heterocyclic chemistry》2015,52(6):1705-1712
Starting from 2‐amino‐1,3‐mercaptobenzothiazoles recently reported ( 1a , 1b , 1c , 1d , 1e , 1f , 1g , 1h ), a series of the corresponding 2‐mercapto‐1,3‐benzothiazole isosters ( 2a , 2b , 2c , 2d , 2e , 2f , 2g , 2h ) were screened for their in vitro antibacterial and antifungal activities. Results underline that the presence of the mercapto moiety at the 2‐position of the heterocyclic nucleus is crucial for activity against bacteria. The biological screening against Candida spp. identified commercial 2f as the most promising compound as antifungal against Candida albicans and tropicalis. Molecular modeling studies supported these results. Then, to enlarge structure‐activity relationship (SAR) studies on series 1 , newly synthesized compounds ( 1k , 1l , 1m , 1n , 1o , 1p ) were reported. All the compounds belonging to this series and bearing a bulky substituent at the 6‐position of the aryl moiety showed high antifungal activity. 相似文献
93.
94.
Ivana Kovacic 《International Journal of Non》2006,41(5):751-760
This paper presents a novel approach to obtaining a complete set of time-dependent expressions for approximate conservation laws of two weakly non-linear coupled oscillators. The procedure developed for a non-resonant case is based on the field method concept of deriving a conservation law from an incomplete solution of a partial differential equation. Due to the non-linearity of the system being considered, this concept is combined with the multiple variable expansion procedure. 相似文献
95.
Single‐Crystal‐to‐Single‐Crystal Transition in an Enantiopure [7]Helquat Salt: The First Observation of a Reversible Phase Transition in a Helicene‐Like Compound
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Dr. Naba K. Nath Lukáš Severa Dr. Roman A. Kunetskiy Prof. Ivana Císařová Prof. Michal Fulem Prof. Květoslav Růžička Dr. Dušan Koval Dr. Václav Kašička Dr. Filip Teplý Prof. Panče Naumov 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(39):13508-13512
Here it is reported that crystals of an enantiopure [7]helquat salt undergo reversible thermal solid–solid phase transition at 404 K. Differential scanning calorimetry (DSC), capillary electrophoresis (CE), and X‐ray diffraction analysis were used to unravel the mechanistic details of this process. The single‐crystal‐to‐single‐crystal course enabled direct monitoring of the structural changes by in situ variable‐temperature X‐ray diffraction, thus providing the first direct evidence of a solid phase transition in a helicene‐like compound. 相似文献
96.
Synthesis and Catalytic Use of Gold(I) Complexes Containing a Hemilabile Phosphanylferrocene Nitrile Donor
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Karel Škoch Dr. Ivana Císařová Prof. Dr. Petr Štěpnička 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(45):15998-16004
Removal of the chloride ligand from [AuCl( 1 ‐κP)] ( 2 ) containing a P‐monodentate 1′‐(diphenylphosphanyl)‐1‐cyanoferrocene ligand ( 1 ), by using silver(I) salts affords cationic complexes of the type [Au( 1 )]X, which exist either as cyclic dimers [Au( 1 )]2X2 ( 3 a , X=SbF6; 3 c , X=NTf2) or linear coordination polymers [Au( 1 )]nXn ( 3 a′ , X=SbF6; 3 b′ , X=ClO4), depending on anion X and the isolation procedure. As demonstrated for 3 a′ , the polymers can be readily cleaved by the addition of donors, such as Cl?, tetrahydrothiophene (tht) or 1 , giving rise to the parent compound 2 , [Au(tht)( 1 ‐κP)][SbF6] ( 5 a ) or [Au( 1 ‐κP)2][SbF6] ( 4 a ), respectively, of which the last two compounds can also be prepared by stepwise replacement of tht in [Au( 1 ‐κP)2][SbF6]. The particular combination of a firmly coordinated (phosphane) and a dissociable (nitrile) donor moieties renders complexes 3/3′ attractive for catalysis because they can serve as shelf‐stable precursors of coordinatively unsaturated AuI fragments, analogous to those that result from the widely used [Au(PR3)(RCN)]X catalysts. The catalytic properties of the Au‐ 1 complexes were evaluated in model annulation reactions, such as the synthesis of 2,3‐dimethylfuran from (Z)‐3‐methylpent‐2‐en‐4‐yn‐1‐ol and oxidative cyclisation of alkynes with nitriles to produce 2,5‐disubstituted 1,3‐oxazoles. Of the compounds tested ( 2 , 3 a′ , 3 b′ , 3 a , 4 a and 5 a ), the best results were consistently achieved with dimer 3 c , which has good solubility in organic solvents and only one firmly bound donor at the gold atom. This compound was advantageously used in the key steps of annuloline and rosefuran syntheses. 相似文献
97.
98.
Sanchita Mondal Saikat Kumar Manna Kalipada Maiti Rajkishor Maji Syed Samim Ali Srimanta Manna 《Supramolecular chemistry》2017,29(8):616-626
A FRET-based chemosensor L containing donor phenanthroline and acceptor fluorescein moiety was designed, synthesised and characterised for the ratiometric fluorescent detection of Cu2+ in organo-aqueous solution. Probe L showed high selectivity and excellent sensitivity towards Cu2+ ions by exhibiting both colorimetric and fluorometric changes due to opening of the spirolactum ring of fluorescein upon complexation with Cu2+. In presence of Cu2+ ions, probe L formed L-Cu2+ complex in 1:1 stoichiometric fashion which is established on the basis of Job’s plot and mass spectroscopy. We also performed DFT computational studies to know the binding nature and coordination feature of the complex. Furthermore, fluorescence imaging studies revealed that probe L was cell permeable and could be used to detect intracellular Cu2+ in living cells. 相似文献
99.
A novel approach of head-space single-drop micro-extraction applied to the determination of ethanol in wine is presented. For the first time, the syringe of an automated syringe pump was used as an extraction chamber of adaptable size for a volatile analyte. This approach enabled to apply negative pressure during the enrichment step, which favored the evaporation of the analyte. Placing a slowly spinning magnetic stirring bar inside the syringe, effective syringe cleaning as well as mixing of the sample with buffer solution to suppress the interference of acetic acid was achieved. 相似文献
100.
Pure anomers of either α or β 3-(2-deoxyribofuranosyl)propynoates reacted with the tetramethylcyclobutadiene–aluminum trichloride complex to yield the corresponding diastereoisomeric Dewar benzenes. Thermal- or ultraviolet light–initiated rearrangement gave rise to highly substituted C-aryldeoxyribosides as single anomers. The same compounds as well as other substituted deoxyribosides were obtained also by transition metal–mediated cycloaddition reactions. 相似文献