Search results for "Function"
showing 10 items of 14432 documents
Diorganotin(IV) N-acetyl-L-cysteinate complexes: synthesis, solid state, solution phase, DFT and biological investigations.
2009
Diorganotin(IV) complexes of N-acetyl-L-cysteine (H(2)NAC; (R)-2-acetamido-3-sulfanylpropanoic acid) have been synthesized and their solid and solution-phase structural configurations investigated by FTIR, Mössbauer, (1)H, (13)C and (119)Sn NMR spectroscopy. FTIR results suggested that in R(2)Sn(IV)NAC (R = Me, Bu, Ph) complexes NAC(2-) behaves as dianionic tridentate ligand coordinating the tin(IV) atom, through ester-type carboxylate, acetate carbonyl oxygen atom and the deprotonated thiolate group. From (119)Sn Mössbauer spectroscopy it could be inferred that the tin atom is pentacoordinated, with equatorial R(2)Sn(IV) trigonal bipyramidal configuration. In DMSO-d(6) solution, NMR spectr…
Interaction of Au16 Nanocluster with Defects in Supporting Graphite: A Density-Functional Study
2011
Soft-landed adsorption of Au-16 on bilayered graphene is investigated using density functional theory. The orientation of the Au-16 cluster and number of neighboring surface vacancies affect the overall structural and electronic properties of the cluster. The results of the PBE, vdW-DF, and vdW-DF2 exchange-correlation functionals are compared for the cluster-substrate interaction for systems with and without defects. In the presence of defects size two and greater, an Au atom adsorbs into the topmost graphene layer; this strongly influences the binding energy (>3 eV), while inducing substantial bending in the carbon plane and altering electronic properties of the system. Though the T-d-sym…
Pyrene derived functionalized low molecular weight organic gelators and gels
2008
Pyrene derived binary functionalized low molecular weight organic gelators (FLMOGs) and gels thereof in selected organic solvents were synthesized and characterized. The functionality refers to a functional group that does not take part in formation of the supramolecular gel network, but remains free and available for other purposes, such as to bind nanoparticles or other molecules into the gel structure. Functional groups were observed to disturb gel formation strongly, if they interact with each other within the same supramolecule due to the formation of competitive structures. Preventing such interactions restored the original gel properties. A gel with weaker supramolecular bonding than…
Exponential Relaxation out of Nonequilibrium
1989
Simulation results are presented for a quench from a disordered state to a state below the coexistence curve. The model which we consider is the Ising model but with the dynamics governed by the Swendsen-Wang transition probabilities. We show that the resulting domain growth has an exponential instead of a power law behaviour and that the system is non-self-averaging while in nonequilibrium. The simulations were carried out on a parallel computer with up to 128 processors.
Liquid-vapour phase behaviour of a symmetrical binary fluid mixture
1998
Using Monte-Carlo simulation and mean field calculations, we study the liquid-vapour phase diagram of a square well binary fluid mixture as a function of a parameter $\delta$ measuring the relative strength of interactions between particles of dissimilar and similar species. The results reveal a rich variety of liquid-vapour coexistence behaviour as $\delta$ is tuned. Specifically, we uncover critical end point behaviour, a triple point involving a vapour and two liquids of different density, and tricritical behaviour. For a certain range of $\delta$, the mean field calculations also predict a `hidden' (metastable) liquid-vapour binodal.
Evidence for shifts in the structure and abundance of the microbial community in a long-term PCB-contaminated soil under bioremediation.
2011
International audience; Although the impact of bioremediation of PCB-contaminated sites on the indigenous microbial community is a key question for soil restoration, it remains poorly understood. Therefore, a small-scale bioremediation assay made of (a) a biostimulation treatment with carvone, soya lecithin and xylose and (b) two bioaugmentation treatments, one with a TSZ7 mixed culture and another with a Rhodococcus sp. Z6 pure strain was set up. Changes in the structure of the global soil microbial community and in the abundances of different taxonomic phyla were monitored using ribosomal intergenic spacer analysis (RISA) and real-time PCR. After an 18-month treatment, the structure of th…
Therapeutic implications of targeting antioxidants to mitochondria
2021
Abstract Redox and oxidative balance are mainly regulated by mitochondria, which control the life and death of cells and organisms, and are therefore implicated in multiple pathologies. Mitochondria can be considered key organelles to be used in different therapeutically approaches, and mitochondria-targeted antioxidants have already shown great potential in the treatment of various human diseases. In fact, major progress has been achieved in the development of different molecules targeted to mitochondria. In this chapter, we will discuss the various strategies that have been employed, such as molecules conjugated with lipophilic cations (e.g., triphenylphosphonium) and peptide-based compou…
MANOTA: a promising bifunctional chelating agent for copper-64 immunoPET
2017
International audience; Improved bifunctional chelating agents (BFC) are required for copper-64 radiolabelling of monoclonal antibodies (mAbs) under mild conditions to yield stable, target-specific imaging agents. Four different bifunctional chelating agents (BFC) were evaluated for Fab (Fragment antigen binding) conjugation and radiolabelling with copper-64. Two DOTA- (1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid) and two NOTA- (1,4,7-triazacyclononane-1,4,7-triacetic acid) derivatives bearing a p-benzyl-isothiocyanate group were conjugated to Fab-trastuzumab - which targets the HER2/neu receptor - and the average number of chelators attached ranged from 2.4 to 4.3 macrocycles …
Protein Interaction Networks and Disease: Highlights of the 3rd Challenges in Computational Biology Meeting
2017
Cellular functions are managed by a complex network of protein interactions, the malfunction of which may derive in disease phenotypes. In spite of the incompleteness and noise present in our current protein interaction maps, computational biologists are making strenuous efforts to extract knowledge from these intricate networks and, through their integration with other types of biological data, expedite the development of novel and more effective treatments against human disorders. The 3rd Challenges in Computational Biology meeting revolved around the Protein Interaction Networks and Disease subject, bringing expert network biologists to the city of Mainz, Germany to debate the current st…
Evaluation of proton MR spectroscopy at 3 Tesla without endorectal coil in patients with a localized prostate cancer treated with exclusive radiother…
2011
Prostate cancer is the most frequent tumour affecting the male population. When the prostate is not removed and is treated with radiation therapy, PSA slowly decreases over time to reach its nadir, even sometimes 18 to 24 months after the completion of radiation therapy without combined androgen suppression therapy. When combined with hormones, PSA falls abruptely with no possibility to perceive the impact of either hormones or radiation effects on PSA.The optimal value of PSA that should be reached after radiation therapy (nadir) and time to this nadir are still unclear.Even when a satisfactory value of the PSA nadir is reached, on-going variations of the PSA and its “bounce” effects, whic…