Search results for "visual_art"
showing 10 items of 2987 documents
Force Field for Water over Pt(111): Development, Assessment, and Comparison
2018
Metal/water interfaces are key in many natural and industrial processes, such as corrosion, atmospheric, or environmental chemistry. Even today, the only practical approach to simulate large interfaces between a metal and water is to perform force-field simulations. In this work, we propose a novel force field, GAL17, to describe the interaction of water and a Pt(111) surface. GAL17 builds on three terms: (i) a standard Lennard-Jones potential for the bonding interaction between the surface and water, (ii) a Gaussian term to improve the surface corrugation, and (iii) two terms describing the angular dependence of the interaction energy. The 12 parameters of this force field are fitted again…
Interaction of Novel Metal Complexes with DNA: Synthetic and Structural Aspects
2009
Metal ions bind to nucleic acids at various positions. This binding can be modulated by using metal complexes with appropriate ligands. Novel mono- and especially dinuclear metal complexes could be a powerful tool to detect rare, but still physiologically relevant, forms of DNA, e.g. the left-handed Z-DNA. In this review, our recent research activities in this area of bioinorganic chemistry are summarized. A special emphasis is laid on the synthetic challenges that arose upon the synthesis of the polyamine ligands. Further, some rather unusual approaches to elucidate the solution structure of copper bound to guanosine monophosphate with the help of pulsed EPR techniques like ENDOR and HYSC…
2020
Strontium isotopes in biogenic apatite, especially enamel, are widely employed to determine provenance and track migration in palaeontology and archaeology. Body tissues record the 87Sr/86Sr of bioavailable Sr of ingested food and water. To identify non-local individuals, knowledge of the 87Sr/86Sr of a non-migratory population is required. However, varying factors such as tissue turnover rates, feeding selectivity, Sr content, digestibility of food, and the ingestion of mineral dust can influence body tissue 87Sr/86Sr. To evaluate the Sr contribution of diet and water to mammalian hard tissues 87Sr/86Sr, controlled feeding studies are necessary. Here we present 87Sr/86Sr from controlled fe…
Determination of mercury at picogram level in natural waters with inductively coupled plasma mass spectrometry by using 3D printed metal scavengers
2019
The determination of ultra-trace concentrations of Hg in natural water samples via preconcentration using 3D printed metal scavenger technique followed by inductively coupled plasma mass spectrometry (ICP-MS) was developed. The determination of Hg in certified reference material ERM-CA615 (groundwater) was performed with high accuracy and precision resulting in recovery of 100 ± 3% and RSD <2.5%, respectively. Selective laser sintering (SLS) 3D printing was used to fabricate the scavengers using a mixture of polyamide-12 powder with thiol-functionalized silica. The preconcentration procedure is based on the adsorption of Hg on the scavenger and followed by elution of the preconcentrated Hg …
A dual channel sulphur-containing a macrocycle functionalised BODIPY probe for the detection of Hg(II) in a mixed aqueous solution
2018
We report herein the synthesis and chromo-fluorogenic behaviour of a new probe 1 containing a boron-dipirromethene (BODIPY) unit electronically connected with a dithia-dioxa-aza macrocycle. Acetonitrile and water-acetonitrile 95:5 v/v solutions of the probe showed an ICT band in the visible zone and are nearly non-emissive. When acetonitrile was used as solvent, addition of Hg(II) and trivalent metal cations induced an hypsochromic shift of the absorption band and moderate emission enhancements. A highly selective response was obtained when using competitive media such as wateracetonitrile 95:5 v/v. In this case only Hg(II) induced a hypsochromic shift of the absorption band and a marked em…
Decorated pottery study: Analysis of pigments by x-ray absorbance spectroscopy measurements
2007
Characterization of pigments on decorated pottery fragments has been fully carried out by nondestructive x-ray absorbance spectroscopy (XAS). The samples were a series of pottery shards excavated from the archeological site of Caltagirone (Sicily, Italy), a well-known ceramic production center. Aesthetical criteria and morphological observations allowed us to attribute the samples to quite different historical periods, starting from the 18th century B.C. up to the 16th century A.D. An extensive time interval led us to suppose that different materials and techniques were used for the production of the ceramic paste and also for the preparation of pigments. XAS measurements were performed at …
Post-mortem alteration of diet-related enamel surface textures through artificial biostratinomy: A tumbling experiment using mammal teeth
2019
In the fossil record, teeth are often all that remains of a fossil organism. Dental microwear texture analysis (DMTA) is a common proxy for diet using dental wear features at the μm-scale, enabling comparative and quantitative assessments of various feeding traits in extant and extinct species. In extinct species, original diet-related dental wear features may be overprinted by post-mortem alteration including fluvial transport. Here we experimentally investigate the effects of mechanical alteration on diet-related 3D enamel surface texture (3DST) patterns of different mammal teeth. Post canine teeth of Equus sp., Capreolus capreolus and Otomys sp. are tumbled in sediment-water suspensio…
A new 3-d approach to determine functional morphology of cercopithecoid molars.
2005
Summary Functional relationships between diet and tooth morphology form an integral part of primatological and paleontological research. Previously, mostly two-dimensional parameters have been used to compare and interpret the complex crown morphology of cercopithecine and colobine molars. However, as teeth are three-dimensional objects, any dimensional reduction in describing their morphology must result in loss of information. In the current study we use a high resolution optical topometric system to record crown morphology in different wear stages in order to extract three-dimensional (3-d) parameters from virtual 3-d models. Structural parameters such as relief index, occlusal surface a…
Trans-epithelial transport of the betalain pigments indicaxanthin and betanin across Caco-2 cell monolayers and influence of food matrix.
2012
Purpose: This study investigated the absorption mechanism of the phytochemicals indicaxanthin and betanin and the influence of their food matrix (cactus pear and red beet) on the intestinal transport. Methods: Trans-epithelial transport of dietary-consistent amounts of indicaxanthin and betanin in Caco-2 cell monolayers seeded on TranswellR inserts was measured in apical to basolateral (AP-BL) and basolateral to apical (BL-AP) direction, under an inwardly directed pH gradient (pH 6.0/7.4, AP/BL) mimicking luminal and serosal sides of human intestinal epithelium. The effect of inhibitors of membrane transporters on the absorption was also evaluated. Contribution of the paracellular route was…
Recognition of oxovanadium(V) species and its separation from other metal species through selective complexation by some acyclic ligands
1998
Acyclic molecules possessing –OH (phenoxo and alkoxo type) groups and imine or amine moieties have been developed to sense the specific preference for VO3+ species. These molecules also showed a capability to quantitatively separate oxovanadium(V) species from a reaction mixture containing metal species of V, Mo, U, Fe, and Mn ions in solution. A cascade quantitative separation of VO3+ followed by cis–MoO2+2 followed by trans –UO2+2 species is demonstrated from their mixture. Synthesis and structural details of oxo-species of vanadium molybdenum and uranium are also discussed. Factors influencing the complexation of these molecules towards oxo metal species of V, Mo and U are also addressed.