Browsing by Subject "chemical structure"
Now showing items 21-40 of 108
-
Article
Design and synthesis of new nanosized C 3-symmetrical tricarboxylic acids: Key elongated ligands for the preparation of highly porous MOFs
(2015)The synthesis of two new C 3-symmetrical nanosized tricarboxylic acids bearing triphenylmethane cores and three imines linkages is presented. The new elongated tripods were designed to stabilise highly porous metal-organic ...
-
Article
Development and evaluation of a QSPR model for the prediction of diamagnetic susceptibility
(2008)A novel QSPR model is developed and evaluated for the prediction of diamagnetic susceptibility. The model was produced using the Multiple Linear Regression (MLR) technique on a database that consists of 406 organic compounds ...
-
Article
Direct observation of ultrafast long-range charge separation at polymer-fullerene heterojunctions
(2014)In polymeric semiconductors, charge carriers are polarons, which means that the excess charge deforms the molecular structure of the polymer chain that hosts it. This results in distinctive signatures in the vibrational ...
-
Article
Discrete and encapsulated molecular grids: Homometallic Mn15 and heterometallic Mn24Ni2 aggregates
(2014)Two molecular grid-like clusters are reported, one is a discrete [3 × 5] grid and the other a [3 × 4] grid within a Mn12Ni 2 loop. Both Mn24Ni2 and Mn15 aggregates display novel and aesthetically pleasing structures with ...
-
Article
Effect of angle strain in conjugated cycloaikenylidenes. Singlet- triplet splitting of cyclobutenylidene and its ground-state intramolecular rearrangements
(1999)The singlet and triplet states of cyclobutenylidene, cyclopenten-3- ylidene, cyclohexen,3-ylidene, and cyclohepten-3-ylidene and some of their isomers (cyclohexen-4-ylidene, cyclohepten-4-ylidene, and cyclohepten-5- ylidene) ...
-
Article
Effects of sol-gel synthesis on 5Fe-15Mn-40Zn-40Ti-O mixed oxide structure and its H2S removal efficiency from industrial gas streams
(2009)A novel Fe-Mn-Zn-Ti-O mixed metal oxide has been developed for efficient low-temperature (25-50°C) removal of H2S from a gas mixture containing 600 ppm H2S, 25 vol% H2, 7.5 vol % CO 2, and 1-3 vol% H2O that simulates typical ...
-
Article
Enantioseparations in open-tubular capillary electrochromatography: Recent advances and applications
(2016)This review highlights recent advances and applications in open-tubular capillary electrochromatography (OT-CEC) for enantioseparations during the last decade. Although extensive research has been conducted in the area of ...
-
Article
Fabrication of nanocrystalline Mg 2Si via ball milling process: Structural studies
(2012)In this work, nanocrystalline Mg 2Si material was fabricated via wet ball milling process using n-hexane as process control agent. Milling parameters, with emphasis on milling time and ball size, and conditions were studied ...
-
Article
Giant single-molecule magnets: A {Mn84} torus and its supramolecular nanotubes
(2004)A meeting of two magnetic worlds: The giant (ca. 4.2 nm) {Mn84} cluster, shown, has a torus structure and is a single-molecule magnet (SMM). It represents a meeting of the molecular (bottom-up) and classical (top-down) ...
-
Article
Hofmeister anion effects on surfactant self-assembly and the formation of mesoporous solids
(2002)Recent work on mesoporous silica formation using cationic and non-ionic templates has unveiled a large number of anion effects. Anions are seen to change the hydrolysis rates of the silicate precursors, affecting the surface ...
-
Article
ICPBCZin: A red emitting ratiometric fluorescent indicator with nanomolar affinity for Zn2+ ions
(2008)A new fluorescent Zn2+ indicator, namely, ICPBCZin was synthesized and the spectral profile of its free and Zn2+ bound forms was studied. The newly synthesized zinc indicator incorporates as chromophore the chromeno ...
-
Article
An improved synthesis of diiodonoradamantane
(2009)Τhe synthesis of 3,7-diiodo-tricyclo[3.3.1.03,7]nonane, the main precursor of noradamantene, by iodination of the corresponding diol via its dimesylate affords a threefold higher yield than the direct iodination of the ...
-
Article
Influence of nanoreactor environment and substrate location on the activity of horseradish peroxidase in olive oil based water-in-oil microemulsions
(2011)Oxidative enzymatic reactions using horseradish peroxidase (HRP) were carried out in water-in-oil (w/o) microemulsions composed of olive oil/lecithin/1-propanol/water, a model biomimetic system. The substrates used (gallic ...
-
Article
Inhibition of mitogen-activated protein kinase (MAPK) and cyclin-dependent kinase 2 (Cdk2) by platinum(II) phenanthroline complexes
(2011)Inhibition of protein kinases in the fight against disease remains a constant challenge for medicinal chemists, who have screened multitudes of predominantly planar organic scaffolds, natural and synthetic, to identify ...
-
Article
Insertion of functional groups into a Nd 3+ metal-organic framework via single-crystal-to-single-crystal coordinating solvent exchange
(2012)Single-crystal-to-single-crystal (SCSC) transformations represent some of the most fascinating phenomena in chemistry. They are not only intriguing from a basic science point of view but also provide a means to modify or ...
-
Article
Investigation of the stability of polyelectrolyte multilayer coatings in open-tubular capillary electrochromatography using laser scanning confocal microscopy
(2005)A simple polyelectrolyte multilayer (PEM) coating procedure was used for the development of stable modified capillaries. PEM coatings were constructed in fused-silica capillaries using alternating rinses of cationic and ...
-
Article
The ion-lipid battle for hydration water and interfacial sites at soft-matter interfaces
(2014)At charged surfaces "bound" ions reduce the repulsive electrostatic forces, while dissociated ions control the osmotic pressure in colloidal systems. For systems charged through ionic adsorption on the other hand, the ...
-
Article
LiSIs: An online scientific workflow system for virtual screening
(2015)Modern methods of drug discovery and development in recent years make a wide use of computational algorithms. These methods utilise Virtual Screening (VS), which is the computational counterpart of experimental screening. ...
-
Article
LiSIs: An online scientific workflow system for virtual screeningAAA
(2015)Modern methods of drug discovery and development in recent years make a wide use of computational algorithms. These methods utilise Virtual Screening (VS), which is the computational counterpart of experimental screening. ...
-
Article
A magnetostructural investigation of an abrupt spin transition for 1-phenyl-3-trifluoromethyl-1,4-dihydrobenzo[e][1,2,4]triazin-4-yl
(2014)1-Phenyl-3-trifluoromethyl-1,4-dihydrobenzo[e][1,2,4]triazin-4-yl is the first example of a hydrazyl radical that shows a reversible sharp spin transition fully completed within 5(1) K. The nominally first-order transition ...