Search results for "computational"
showing 10 items of 5884 documents
Study of the aminopeptidase N gene family in the lepidopterans Ostrinia nubilalis (Hübner) and Bombyx mori (L.): Sequences, mapping and expression
2010
Aminopeptidases N (APNs) are a class of ectoenzymes present in lepidopteran larvae midguts, involved in the Bacillus thuringiensis (Bt) toxins mode of action. In the present work, seven aminopeptidases have been cloned from the midgut of Ostrinia nubilalis, the major Lepidopteran corn pest in the temperate climates. Six sequences were identified as APNs because of the presence of the HEXXH(X)18E and GAMEN motifs, as well as the signal peptide and the GPI-anchor sequences. The remaining sequence did not contain the two cellular targeting signals, indicating it belonged to the puromycin-sensitive aminopeptidase (PSA) family. An in silico analysis allowed us to find orthologous sequences in Bo…
Simulating multilevel dynamics of antimicrobial resistance in a membrane computing model
2019
Membrane computing is a bio-inspired computing paradigm whose devices are the so-called membrane systems or P systems. The P system designed in this work reproduces complex biological landscapes in the computer world. It uses nested “membrane-surrounded entities” able to divide, propagate, and die; to be transferred into other membranes; to exchange informative material according to flexible rules; and to mutate and be selected by external agents. This allows the exploration of hierarchical interactive dynamics resulting from the probabilistic interaction of genes (phenotypes), clones, species, hosts, environments, and antibiotic challenges. Our model facilitates analysis of several aspects…
New Bioactive Peptides from the Mediterranean Seagrass Posidonia oceanica (L.) Delile and Their Impact on Antimicrobial Activity and Apoptosis of Hum…
2023
The demand for new molecules to counter bacterial resistance to antibiotics and tumor cell resistance is increasingly pressing. The Mediterranean seagrass Posidonia oceanica is considered a promising source of new bioactive molecules. Polypeptide-enriched fractions of rhizomes and green leaves of the seagrass were tested against Gram-positive (e.g., Staphylococcus aureus, Enterococcus faecalis) and Gram-negative bacteria (e.g., Pseudomonas aeruginosa, Escherichia coli), as well as towards the yeast Candida albicans. The aforementioned extracts showed indicative MIC values, ranging from 1.61 μg/mL to 7.5 μg/mL, against the selected pathogens. Peptide fractions were further analyzed thr…
New Bioprecursor Prodrugs of Sulfadiazine: Synthesis, X-ray Structure and Hirshfeld Analysis
2022
Sulphonamide motif is found extensively in numerous chemotherapeutic drug candidates, it acts by stopping the production of folate inside the bacterial cell. Current research has established the synthesis and characterization of new bioprecursor prodrugs of sulfadiazine. The first prodrug, 3, was synthesized via the coupling of diazonium salt of sulfadiazine with ethyl acetoacetate in AcONa at 0 °C. The second prodrug, sulfadiazine-pyrazole, 5, was furnished via cyclocondensation of the hydrazono derivative, 3, and 2-pyridyl hydrazine, 4. The generated data from the X-ray analysis is interpreted and refined to obtain the crystal structure of the target compound, 5. Density functional th…
Ascending Aorta Resection and End-to-End Anastomosis: Redistribution of Wall Shear Stress Induced by a Bioprosthetic Heart Valve
2020
Although aortic resection and end-to-end anastomosis are applied to repair ascending aortic aneurysm, there is a lack of information on the late risk of post-operative complications, such as aortic dissection and aneurysmal re-dilatation. It is recognized that altered hemodynamic forces exerted on an aortic wall play an important role on dissection and aneurysm formation. We present a case in which the hemodynamic forces were investigated prior and after repair of an ascending aorta treated by resection with end-to-end anastomosis and a bioprosthetic heart valve. Post-operative wall shear stress was redistributed uniformly along the vessel circumference, and this may suggest a reduced risk …
On the suffix automaton with mismatches
2007
International audience; In this paper we focus on the construction of the minimal deterministic finite automaton S_k that recognizes the set of suffixes of a word w up to k errors. We present an algorithm that makes use of S_k in order to accept in an efficient way the language of all suffixes of w up to k errors in every window of size r, where r is the value of the repetition index of w. Moreover, we give some experimental results on some well-known words, like prefixes of Fibonacci and Thue-Morse words, and we make a conjecture on the size of the suffix automaton with mismatches.
Design, Construction, and Characterization of a New Regioisomer and Diastereomer Material Based on the Spirooxindole Scaffold Incorporating a Sulphon…
2020
The 1,3-dipolar cycloaddition reaction is one of the most rapid, and efficient protocols to access, and construct highly divergent heterocycle chiral auxiliaries. Free catalyst synthesis of spirooxindole scaffold incorporating sulphone moiety via one pot&ndash
Dust environment of an airless object: A phase space study with kinetic models
2016
Abstract The study of dust above the lunar surface is important for both science and technology. Dust particles are electrically charged due to impact of the solar radiation and the solar wind plasma and, therefore, they affect the plasma above the lunar surface. Dust is also a health hazard for crewed missions because micron and sub-micron sized dust particles can be toxic and harmful to the human body. Dust also causes malfunctions in mechanical devices and is therefore a risk for spacecraft and instruments on the lunar surface. Properties of dust particles above the lunar surface are not fully known. However, it can be stated that their large surface area to volume ratio due to their irr…
Contribution of observed multi frequency spectrum of Alfvén waves to coronal heating
2019
Context. Whilst there are observational indications that transverse magnetohydrodynamic (MHD) waves carry enough energy to maintain the thermal structure of the solar corona, it is not clear whether such energy can be efficiently and effectively converted into heating. Phase-mixing of Alfvén waves is considered a candidate mechanism, as it can develop transverse gradient where magnetic energy can be converted into thermal energy. However, phase-mixing is a process that crucially depends on the amplitude and period of the transverse oscillations, and only recently have we obtained a complete measurement of the power spectrum for transverse oscillations in the corona. Aims. We aim to investig…
A study of the atmospherically important reactions between dimethyl selenide (DMSe) and molecular halogens (X2 = Cl2, Br2, and I2) with ab initio cal…
2012
The atmospherically relevant reactions between dimethyl selenide (DMSe) and the molecular halogens (X(2) = Cl(2), Br(2), and I(2)) have been studied with ab initio calculations at the MP2/aug-cc-pVDZ level of theory. Geometry optimization calculations showed that the reactions proceed from the reagents to the products (CH(3)SeCH(2)X + HX) via three minima, a van der Waals adduct (DMSe:X(2)), a covalently bound intermediate (DMSeX(2)), and a product-like complex (CH(3)SeCH(2)X:HX). The computed potential energy surfaces are used to predict what molecular species are likely to be observed in spectroscopic experiments such as gas-phase photoelectron spectroscopy and infrared matrix isolation s…