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1.
Panagiotis Soules 《Archiv der Mathematik》2003,80(5):449-457
For soluble groups, the Fitting length is bounded by a function of the maximum order
of the Fitting subgroups of 2-generator subgroups. 相似文献
2.
Panagiotis Katerinis 《Aequationes Mathematicae》2006,72(1-2):139-151
3.
Preparation of a molecularly imprinted polymer for the solid-phase extraction of scopolamine with hyoscyamine as a dummy template molecule 总被引:5,自引:0,他引:5
Theodoridis G Kantifes A Manesiotis P Raikos N Tsoukali-Papadopoulou H 《Journal of chromatography. A》2003,987(1-2):103-109
Molecularly imprinted polymers (MIPs) selective for scopolamine were produced using hyoscyamine (a close structural analogue) as template molecule. The produced polymers were used as media for solid-phase extraction, exhibiting selective binding properties for the analyte from biological samples. Human and calf urine and serum were processed on the MIP under various extraction protocols. The best performance was observed after loading the analyte in aqueous environment facilitating retention on the MIP by non-selective hydrophobic interactions. The MIPs were subsequently washed using an optimised solvent system to enable selective desorption of the analyte. Other related and non-related compounds were accessed to evaluate molecular recognition properties. Recoveries of up to 79% were achieved for the analyte of interest from biological samples. 相似文献
4.
Panagiotis Kl. Barkoutsos Fotios Gkritsis Pauline J. Ollitrault Igor O. Sokolov Stefan Woerner Ivano Tavernelli 《Chemical science》2021,12(12):4345
The development of tailored materials for specific applications is an active field of research in chemistry, material science and drug discovery. The number of possible molecules obtainable from a set of atomic species grow exponentially with the size of the system, limiting the efficiency of classical sampling algorithms. On the other hand, quantum computers can provide an efficient solution to the sampling of the chemical compound space for the optimization of a given molecular property. In this work, we propose a quantum algorithm for addressing the material design problem with a favourable scaling. The core of this approach is the representation of the space of candidate structures as a linear superposition of all possible atomic compositions. The corresponding ‘alchemical’ Hamiltonian drives the optimization in both the atomic and electronic spaces leading to the selection of the best fitting molecule, which optimizes a given property of the system, e.g., the interaction with an external potential as in drug design. The quantum advantage resides in the efficient calculation of the electronic structure properties together with the sampling of the exponentially large chemical compound space. We demonstrate both in simulations and with IBM Quantum hardware the efficiency of our scheme and highlight the results in a few test cases. This preliminary study can serve as a basis for the development of further material design quantum algorithms for near-term quantum computers.‘Alchemical’ quantum algorithm for the simultaneous optimisation of chemical composition and electronic structure for material design. By exploiting quantum mechanical principles this approach will boost drug discovery in the near future. 相似文献
5.
Panagiotis Steliopoulos 《Accreditation and quality assurance》2012,17(5):543-547
Generally, the cut-off point of a screening assay is defined through a one-sided prediction limit obtained from a given sample of blanks. Depending on the assumptions one is willing to make about the underlying data distribution, different types of prediction limits can be employed. In this paper, Monte Carlo simulations are used to illustrate the coverage performance of normal, lognormal and nonparametric prediction limits under normal and non-normal conditions. 相似文献
6.
Federico Bonaldo Fulvio Mattivi Daniele Catorci Panagiotis Arapitsas Graziano Guella 《Molecules (Basel, Switzerland)》2021,26(12)
Several classes of flavonoids, such as anthocyanins, flavonols, flavanols, and flavones, undergo a slow H/D exchange on aromatic ring A, leading to full deuteration at positions C(6) and C(8). Within the flavanol class, H-C(6) and H-C(8) of catechin and epicatechin are slowly exchanged in D2O to the corresponding deuterated analogues. Even quercetin, a relevant flavonol representative, shows the same behaviour in a D2O/DMSOd6 1:1 solution. Detailed kinetic measurements of these H/D exchange processes are here reported by exploiting the time-dependent changes of their peak areas in the 1H-NMR spectra taken at different temperatures. A unifying reaction mechanism is also proposed based on our detailed kinetic observations, even taking into account pH and solvent effects. Molecular modelling and QM calculations were also carried out to shed more light on several molecular details of the proposed mechanism. 相似文献
7.
Evangelia Chronopoulou Panagiotis Madesis Athanasios Tsaftaris Nikolaos E. Labrou 《Applied biochemistry and biotechnology》2014,172(2):595-609
Glutathione transferases (GSTs, EC 2.5.1.18) are ubiquitous proteins in plants that play important roles in stress tolerance and in the detoxification of toxic chemicals and metabolites. In this study, we systematically examined the catalytic diversification of a GST isoenzyme from Phaseolus vulgaris (PvGST) which is induced under biotic stress treatment (Uromyces appendiculatus infection). The full-length cDNA of this GST isoenzyme (termed PvGSTU3-3) with complete open reading frame, was isolated using RACE-RT and showed that the deduced amino acid sequence shares high homology with the tau class plant GSTs. PvGSTU3-3 catalyzes several different reactions and exhibits wide substrate specificity. Of particular importance is the finding that the enzyme shows high antioxidant catalytic function and acts as hydroperoxidase, thioltransferase, and dehydroascorbate reductase. In addition, its K m for GSH is about five to ten times lower compared to other plant GSTs, suggesting that PvGSTU3-3 is able to perform efficient catalysis under conditions where the concentration of reduced glutathione is low (e.g., oxidative stress). Its ability to conjugate GSH with isothiocyanates may provide an additional role for this enzyme to act as a regulator of the released isothiocyanates from glucosinolates as a response of biotic stress. Molecular modeling showed that PvGSTU3-3 shares the same overall fold and structural organization with other plant cytosolic GSTs, with major differences at their hydrophobic binding sites (H-sites) and some differences at the level of C-terminal domain and the linker between the C- and N-terminal domains. PvGSTU3-3, in general, exhibits restricted ability to bind xenobiotics in a nonsubstrate manner, suggesting that the biological role of PvGSTU3-3, is restricted mainly to the catalytic function. Our findings highlight the functional and catalytic diversity of plant GSTs and demonstrate their pivotal role for addressing biotic stresses in Phaseolus vulgaris. 相似文献
8.
Paraskevi Tziona Panagiotis Theodosis-Nobelos Georgios Papagiouvannis Anthi Petrou Chryssoula Drouza Eleni A. Rekka 《Molecules (Basel, Switzerland)》2022,27(7)
The synthesis of derivatives of three nonspecific COX-1 and COX-2 inhibitors, ibuprofen, ketoprofen, naproxen is presented. These acids were connected via an amide bond with an amino acid (L-proline, L-tyrosine, and beta-alanine) used as a linker. The amino acid carboxylic group was esterified with 3,4,5 trimethoxybenzyl alcohol. The activity of the novel derivatives was examined in vivo on carrageenan-induced inflammation, and in vitro, as cyclooxygenase and lipoxygenase inhibitors. It was found that the new compounds were more potent anti-inflammatory agents than the parent drugs. Thus, the ibuprofen (21) and ketoprofen (16) derivatives reduced rat paw edema by 67 and 91% (the reduction by the relevant NSAIDs was 36 and 47%, respectively). They inhibited COX-2 more than the starting drugs (21 by 67%, ibuprofen 46%, 19 by 94%, ketoprofen 49%). Docking of compounds on the active sites of COX-1 and COX-2 reflects their in vitro activity. Thus, 19 adopts an unfavorable orientation for COX-1 inhibition, but it binds effectively in the binding pocket of COX-2, in agreement with the absence of activity for COX-1 and the high inhibition of COX-2. In conclusion, the performed structural modifications result in the enhancement of the anti-inflammatory activity, compared with the parent NSAIDs. 相似文献
9.
Costas Courcoubetis Panagiotis Konstantopoulos Jean Walrand Richard R. Weber 《Queueing Systems》1989,5(1-3):37-54
Consider a production system that consists ofm machines each of which can produce parts ofn types. When machinek is used, it produces a part of typei with probabilityp
ki
. Requests arrive for parts, one at a time. With probability
i
an arriving request is for a part of typei. The requests must be served without waiting. Thus, if a requested part is not available, it must be produced. We find necessary and sufficient conditions for the existence of a strategy (a choice of the machines to be used) which makes the inventory of parts stable and we provide such a strategy.Two variations of this model are also considered: the case of batch arrivals of requests, and that of a system where the requests can be queued. 相似文献
10.
A multi-objective mixed integer programming model for equity portfolio construction and selection is developed in this study,
in order to generate the Pareto optimal portfolios, using a novel version of the well known ε-constraint method. Subsequently, an interactive filtering process is also proposed to assist the decision maker in making
his/her final choice among the Pareto solutions. The proposed methodology is tested through an application in the Athens Stock
Exchange. 相似文献