Search results for " surface"

Ab Initio Study on the Mechanism of Tropospheric Reactions of the Nitrate Radical with Haloalkenes:  Chloroethene

2000

Darstellung und spektroskopische Analyse von Oligo{[4-(1,1,3,3-tetramethylbutyl) (bzw. 4-octyl)2-hydroxy-1,3-phenylen]methylen}en und ihrer Ausgangsv…

1978

4-(1,1,3,3-Tetramethylbutyl)phenol und 4-Octylphenol, erhalten durch Friessche Verschiebung der entsprechenden Phenylester und anschliesende Reduktion der Carbonylgruppe, wurden in ortho-Stellung monobromiert und mit Formaldehyd hydroxymethyliert. Aus diesen Verbindungen konnten sechs 2,2′-Methylendiphenole (2a–f) sowie sieben 2,6-Bis(2-hydroxybenzyl)phenole (3a–g) dargestellt werden, die in 4-Stellung zu den phenolischen Hydroxygruppen Methyl-, 1,1,3,3-Tetramethylbutyl- und Octyl-Substituenten in verschiedenen Verhaltnissen enthalten. Die IR- und 1H-NMR-spektroskpischen Analysen bestatigten die angegebenen Strukturen der dargestellten phenolischen Mehrkernverbindungen. 4-(1,1,3,3-Tetrameth…

Darstellung und charakterisierung von einigen neuen bis(1-phenylvinyl)-verbindungen

1974

Einige neue Bis(1-phenylvinyl)-Verbindungen (1b, c und 2a–d) wurden aus den entsprechenden Diacetylverbindungen und Phenylmagnesiumbromid dargestellt. Ihre IR-, NMR-und Massenspektren werden diskutiert. Some new bis(1-phenylvinyl) compounds (1b, c and 2a–d) were prepared from the corresponding diacetyl compounds and phenyl magnesium bromide. Their IR, NMR and mass spectra are discussed.

A bis-exTTF macrocyclic receptor that associates C60 with micromolar affinity

2010

An exTTF-based macrocyclic receptor that associates C(60) with a binding constant10(6) M(-1) in chlorobenzene at room temperature is described. This represents an improvement of 3 orders of magnitude with respect to the previous examples of exTTF-based receptors and one of the highest binding constants toward C(60) reported to date.

Cation-induced self-assembly of an amphiphilic perylene diimide derivative in solution and Langmuir–Blodgett films

2015

Abstract A novel amphiphilic perylenetetracarboxylic diimide (PDI) derivative, N-(4′-benzo-15-crown-5-ether)-N-hexyl-1,7-di(4-tert-butyl-phenoxy)perylen-3,4,9,10-tetracarboxylic diimide (15C5PDI), has been synthesized and characterized. Dimerization of 15C5PDI is induced in CHCl 3 solution with the present of K + , resulting in the formation of the slipped co-facial J -aggregates, as revealed by absorption and fluorescence spectroscopies. Analysis of the surface pressure–area ( π – A ) isotherms and spectral change for the monolayer formed at the air/water interface, disclosed that 15C5PDI molecules adopted the H -type aggregation mode with a face-to-face configuration and edge-on orientati…

Better understanding of the ring-cleavage process of cyanocyclopropyl anionic derivatives. A theoretical study based on the electron localization fun…

2005

[reaction: see text] Theoretical calculations at the B3LYP/6-31+G(d), MP2/6-31+G(d), and G3(MP2) levels have been carried out to understand the alternative reaction pathways (the cyclopropyl ring cleavage (RC) and the retrocycloaddition reaction (rCA)) of a constrained tricyanocyclopropyl anionic derivative. The more energetically favorable path is found to be the RC process, a formally "forbidden" rearrangement (Leiviers, M.; Tam, I.; Groves, K.; Leung, D.; Xie, Y.; Breslow, R. Org. Lett. 2003, 5, 19, 3407) yielding an allylic anion system via a concerted transition structure, in agreement with experimental outcomes. rCA is more energetically favorable along a two-stage mechanism, via an i…

Potential energy surface for the decomposition of mandelic acid

1997

Abstract The decomposition of mandelic acid has been studied by ab initio calculations at the MP2/6-31G ∗∗ level. Three competitive reaction pathways have been characterized, two are stepwise processes with the formation of an α-lactone intermediate, achieved by the nucleophilic attack of either the carbonylic oxygen atom (mechanism A) or the hydroxylic oxygen atom (mechanism B) of the carboxyl group, followed by a ring opening; the third pathway (mechanism C) is a one-step process. The calculated rate coefficient agrees with experimental data. The decomposition is energetically favourable along mechanism A.

New developments in immunochemical water analysis down to 30 mul sample volume.

1999

Abstract The determination of trace levels of pesticides like atrazine in water samples of small, restricted volumes is one of the future demands of environmental analysis. In a brief review existing chromatographic and immunochemical methods for atrazine are critically discussed. Then a simple rapid enzyme-linked immunosorbent assay (ELISA) using the tip of an inoculation needle as a solid surface is presented. The sample volume could be reduced to 30 μl. The assay had a centre of the test IC50 of 0.12 μg l−1 and permitted the characterisation of atrazine at levels of 0.022–2.90 μg l−1. A first outlook for automatisation is given. The new method was compared with an ELISA using 96 well mic…

Comparative analysis of the remineralization potential of CPP–ACP with Fluoride, Tri-Calcium Phosphate and Nano Hydroxyapatite using SEM/EDX – An in …

2019

Background In recent years, the non-invasive management of non cavitated caries lesions using remineralization systems to repair the enamel have received more attention from the scientific community. Aim: To quantitatively evaluate the remineralization potential of Casein phosphopeptide-amorphous calcium phosphate-fluoride(CPP-ACPF), Tri-calcium phosphate(TCP) & Nano-hydroxyapatite(nHAP) using Scanning Electron Microscopy(SEM) and Energy dispersive X-ray Analysis(EDX). Material and Methods 40 enamel specimens were prepared, and immersed in demineralising solution at a pH of 4.4 for 96 hours at 37°C, to induce artificial carious lesions. Remineralization was carried out for a period of 30 da…

Selective Gold Recovery and Catalysis in a Highly Flexible Methionine-Decorated Metal–Organic Framework

2016

A novel chiral 3D bioMOF exhibiting functional channels with thio-alkyl chains derived from the natural amino acid l-methionine (1) has been rationally prepared. The well-known strong affinity of gold for sulfur derivatives, together with the extremely high flexibility of the thioether "arms" decorating the channels, account for a selective capture of gold(III) and gold(I) salts in the presence of other metal cations typically found in electronic wastes. The X-ray single-crystal structures of the different gold adsorbates Au(III)@1 and Au(I)@1 suggest that the selective metal capture occurs in a metal ion recognition process somehow mimicking what happens in biological systems and protein r…