Binding modes of carboxylate- and acetylacetonate-linked chromophores to homodisperse polyoxotitanate nanoclusters.
Summary of "Binding modes of carboxylate- and acetylacetonate-linked chromophores to homodisperse polyoxotitanate nanoclusters."
The binding of carboxylate- and acetylacetonate-linked chromophores to homodisperse polyoxotitanate nanoclusters with 17 Ti atoms or more are surveyed and found to be limited to chelate-bidentate and the bridging modes, the former being dominant for the acetylacetonate-linked chromophores, the latter for the carboxylate-linkers. Chromophores with acetylacetonate linking groups invariably bind in the chelate mode, whereas carboxylic acid terminated chromophores more frequently are observed to have the bridging mode, with the exception of three cases in which a strong electron donating substituent is present on two different sensitizers. The calculations for isonicotinate (INA) and nitrophenylacetylacetonate (NPA) functionalized Ti17 clusters show the observed binding modes to correspond to the lower energy functionalized clusters, but do not predict the difference between the cinnamic acid and dimethylaminocinnamic acid binding to Ti17, which are bridging and chelate respectively. Both binding modes were never observed to occur for a single chromophore, even when synthetic conditions were varied. Density of state calculations show broadening and splitting of the chromophore LUMO on complexation due to interaction with the cluster's conduction band, as well as frequent penetration of sensitizer orbitals into the bandgap of the functionalized nanoparticle.
Affiliation
Journal Details
This article was published in the following journal.
Name: Journal of the American Chemical Society
ISSN: 1520-5126
Pages:
Links
- PubMed Source: http://www.ncbi.nlm.nih.gov/pubmed/22709348
- DOI: http://dx.doi.org/10.1021/ja303692r
Medical and Biotech [MESH] Definitions
Pyrroline Carboxylate Reductases
A group of enzymes that catalyze the reduction of 1-pyrroline carboxylate to proline in the presence of NAD(P)H. Includes both the 2-oxidoreductase (EC 1.5.1.1) and the 5-oxidoreductase (EC 1.5.1.2). The former also reduces 1-piperidine-2-carboxylate to pipecolate and the latter also reduces 1-pyrroline-3-hydroxy-5-carboxylate to hydroxyproline.
1-pyrroline-5-carboxylate Dehydrogenase
An enzyme that catalyzes the oxidation of 1-pyrroline-5-carboxylate to L-GLUTAMATE in the presence of NAD. Defects in the enzyme are the cause of hyperprolinemia II.
Retinal Pigments
Photosensitive protein complexes of varied light absorption properties which are expressed in the PHOTORECEPTOR CELLS. They are OPSINS conjugated with VITAMIN A-based chromophores. Chromophores capture photons of light, leading to the activation of opsins and a biochemical cascade that ultimately excites the photoreceptor cells.
Phycobilins
Open chain tetrapyrroles that function as light harvesting chromophores in PHYCOBILIPROTEINS.
Complement C1q
A subcomponent of complement C1, composed of six copies of three polypeptide chains (A, B, and C), each encoded by a separate gene (C1QA; C1QB; C1QC). This complex is arranged in nine subunits (six disulfide-linked dimers of A and B, and three disulfide-linked homodimers of C). C1q has binding sites for antibodies (the heavy chain of IMMUNOGLOBULIN G or IMMUNOGLOBULIN M). The interaction of C1q and immunoglobulin activates the two proenzymes COMPLEMENT C1R and COMPLEMENT C1S, thus initiating the cascade of COMPLEMENT ACTIVATION via the CLASSICAL COMPLEMENT PATHWAY.
PubMed Articles
Interfacial electron transfer into functionalized crystalline polyoxotitanate nanoclusters.
Interfacial electron transfer (IET) between a chromophore and a semiconductor nanoparticle is one of the key processes in a dye-sensitized solar cell. Theoretical simulations of the electron transfer...
Visualising the carboxylate shift at a bioinspired diiron(ii) site in the solid state.
A novel pyrazolate-based diiron(ii) complex shows five different binding modes of exogenous carboxylate ligands in a single crystal structure. Temperature dependent X-ray data reveal thermally induced...
Spectroscopic properties of nanotube-chromophore hybrids.
Recently, individual single-walled carbon nanotubes (SWNTs) functionalized with azo-benzene chromophores were shown to form a new class of hybrid nanomaterials for optoelectronics applications. Here w...
Car-Parrinello molecular dynamics simulations are reported for aqueous UO(2)(H(2)O)(n)(C(2)O(4)) (n = 3, 4), calling special attention to the binding modes of oxalate and the thermodynamics of the so-...
Three phenylethynes bearing methyl carboxylate (HL1), monocarboxylate (H(2)L2), and dicarboxylate (H(2)L3) groups were utilized as ligands to synthesize a new class of organometallic silver(I)-ethynid...
Clinical Trials
Open-Label Pharmacokinetic of Oseltamivir in Healthy Obese Thai Adult Subjects
This study is planned to characterize the pharmacokinetic properties of oseltamivir and the active product--oseltamivir carboxylate--in obesity in order to provide clinical guidance for th...
PEGASUS CRT Study: Atrial Support Study in Cardiac Resynchronization Therapy
This study will look at different pacing modes (how a device is programmed to pace one's heart), and how these modes may assist in one's daily activities and how one is feeling.
Identification of Donors of CD36-Deficient Platelets Among Japanese Individuals on the NIH Campus
Plasma histidine-rich glycoprotein (HRG) binds to platelets in the presence of zinc (1). This binding is totally blocked by a monoclonal antibody directed against platelet membrane CD36....
The pharmacokinetics, and clinical and biological effects of MBL replacement therapy in MBL-deficient children during chemotherapy-induced neutropenia were studied.
Assessment of the Effect of Sertaline on the Specific Binding of 123-I MZINT in Healthy Subjects
The overall purpose of this project is to evaluate the effect of sertraline administration on the binding of 123-I mZINT in 10 healthy subjects. All study procedures will be conducted at t...
