Search results for " Complexity"
showing 10 items of 623 documents
Molecular shape analysis based upon the morse-smale complex and the connolly function
2003
Docking is the process by which two or several molecules form a complex. Docking involves the geometry of the molecular surfaces, as well as chemical and energetical considerations. In the mid-eighties, Connolly proposed a docking algorithm matching surface knobs with surface depressions. Knobs and depressions refer to the extrema of the Connolly function, which is defined as follows. Given a surface M bounding a three-dimensional domain X, and a sphere S centered at a point p of M, the Connolly function is equal to the solid angle of the portion of S containing within X.We recast the notions of knobs and depressions in the framework of Morse theory for functions defined over two-dimensiona…
Deciding properties of integral relational automata
1994
This paper investigates automated model checking possibilities for CTL* formulae over infinite transition systems represented by relational automata (RA). The general model checking problem for CTL* formulae over RA is shown undecidable, the undecidability being observed already on the class of Restricted CTL formulae. The decidability result, however, is obtained for another substantial subset of the logic, called A-CTL*+, which includes all ”linear time” formulae.
Verification of scope-dependent hierarchical state machines
2008
AbstractA hierarchical state machine (Hsm) is a finite state machine where a vertex can either expand to another hierarchical state machine (box) or be a basic vertex (node). Each node is labeled with atomic propositions. We study an extension of such model which allows atomic propositions to label also boxes (Shsm). We show that Shsms can be exponentially more succinct than Shsms and verification is in general harder by an exponential factor. We carefully establish the computational complexity of reachability, cycle detection, and model checking against general Ltl and Ctl specifications. We also discuss some natural and interesting restrictions of the considered problems for which we can …
Flexible modeling for anatomically-based cardiac conduction system construction.
2010
We present a method to automatically deploy the peripheral section of the cardiac conduction system in ventricles. The method encodes anatomical information thorough rules that ensure that Purkinje network structures generated are realistic and comparable to those observed in ex-vivo studies. The core methodology is based in non-deterministic production rules that are parameterized by means of statistical functions. Input parameters allow the construction of a great diversity of Purkinje structures that could be incorporated in fine element ventricular models to perform electrophysiology simulations. Resulting Purkinje trees show good geometrical approximations of Purkinje core network and …
Recent Advances in Enantioselective Desymmetrizations of Prochiral Oxetanes
2021
Abstract Strain relief of oxetanes offers a plethora of opportunities for the synthesis of chiral alcohols and ethers. In this context, enantioselective desymmetrization has been identified as a powerful tool to construct molecular complexity and this has led to the development of elegant strategies on the basis of transition metal, Lewis acid, and Brønsted acid catalysis. This review highlights recent examples that harness the inherent reactivity of prochiral oxetanes and offers an outlook on the immense possibilities for synthetic application.
Molecular spreading and predictive value of preclinical IgE response to Phleum pratense in children with hay fever.
2012
Background IgE sensitization against grass pollen is a cause of seasonal allergic rhinitis. Objective We sought to investigate the evolution at the molecular level and the preclinical predictive value of IgE responses against grass pollen. Methods The German Multicentre Allergy Study examined a birth cohort born in 1990. A questionnaire was administered yearly, and blood samples were collected at 1, 2, 3, 5, 6, 7, 10, and 13 years of age. Grass pollen–related seasonal allergic rhinitis (SARg) was diagnosed according to nasal symptoms in June/July. Serum IgE antibodies to Phleum pratense extract and 8 P pratense molecules were tested with immune-enzymatic singleplex and multiplex assays, res…
Functional and genetic deconstruction of the cellular origin in liver cancer.
2015
During the past decade, research on primary liver cancers has particularly highlighted the uncommon plasticity of differentiated parenchymal liver cells (that is, hepatocytes and cholangiocytes (also known as biliary epithelial cells)), the role of liver progenitor cells in malignant transformation, the importance of the tumour microenvironment and the molecular complexity of liver tumours. Whereas other reviews have focused on the landscape of genetic alterations that promote development and progression of primary liver cancers and the role of the tumour microenvironment, the crucial importance of the cellular origin of liver cancer has been much less explored. Therefore, in this Review, w…
Vinylcyclopropane [3+2] Cycloaddition with Acetylenic Sulfones Based on Visible Light Photocatalysis
2021
We describe the first intermolecular visible light [3+2] cycloaddition reaction being performed on a meta photocycloadduct employing acetylenic sulfones. The developed methodology exploits the advantages of combining UV and Visible light in a two-step sequence that provides a photogenerated cyclopropane which, through a strain-release process, generates a new cyclopentane ring while increasing significally the molecular complexity. This strategy could be extended to simpler vinylcyclopropanes.
La Méthode como hermenéutica musical Homenaje a Edgar Morin por su 100º cumpleaños
2021
The present work addresses the principles and properties of the complex thought formulated by the French thinker Edgar Morin and the way in which he was able me to articulate his conception of organizational complexity with one of the most important theories of musical analysis, which emerged at the beginning of the 20th century: the schenkerian analysis. It is a review and extension of a few pages of my doctoral thesis, which are intended to pay tribute to who has been, in addition to my teacher, Honorary President of Itamar since its first issue. His teachings and support has always been the engine for my quest for musical organization. On July 21, 2021, Morin celebrated his 100th birthda…
An Efficient Distributed Algorithm for Generating Multicast Distribution Trees
2005
Multicast transmission may use network resources more efficiently than multiple point-to-point messages; however, creating optimal multicast trees (Steiner Tree Problem in Networks) is prohibitively expensive. For this reason, heuristic methods are generally employed. Conventional centralized Steiner heuristics provide effective solutions, but they are unpractical for large networks, since they require complete knowledge of the network topology. This paper proposes a distributed algorithm for the heuristic solution of the Steiner Tree Problem. The algorithm allows the construction of effective distribution trees using a coordination protocol among the network nodes. The algorithm has been i…