Search results for "Complete"
showing 10 items of 490 documents
Logic, Computing and Biology
2015
Logic and Computing are appropriate formal languages for Biology, and we may well be surprised by the strong analogy between software and DNA, and between hardware and the protein machinery of the cell. This chapter examines to what extent any biological entity can be described by an algorithm and, therefore, whether the Turing machine and the halting problem concepts apply. Last of all, I introduce the concepts of recursion and algorithmic complexity, both from the field of computer science, which can help us understand and conceptualise biological complexity.
Inductive inference of recursive functions: Qualitative theory
2005
This survey contains both old and very recent results in non-quantitative aspects of inductive inference of total recursive functions. The survey is not complete. The paper was written to stress some of the main results in selected directions of research performed at the University of Latvia rather than to exhaust all of the obtained results. We concentrated on the more explored areas such as the inference of indices in non-Goedel computable numberings, the inference of minimal Goedel numbers, and the specifics of inference of minimal indices in Kolmogorov numberings.
Los canecillos de la Capilla del Cementerio de San Juan del Hospital de Valencia
2020
In the medieval cemetery of the Historic Site of San Juan del Hospital of Valencia is housed a small funeral chapel founded in the late thirteenth century by the knight Arnau de Romaní. Along its cornice there are a series of heads of animals and humans that are one of the few sculptural vestiges inserted into the Romanesque iconographic tradition that are preserved in the city. So far they have not aroused the interest of specialists and no one has dedicated a detailed study to these curious and interesting images located in the marginal spaces of such a beautiful building. This article aims to complete this gap addressing the study of the corbels of the small temple, projecting a thematic…
On the Deactivation Mechanisms of Adenine–Thymine Base Pair
2012
In this contribution, the multiconfigurational second-order perturbation theory method based on a complete active space reference wave function (CASSCF/CASPT2) is applied to study all possible single and double proton/hydrogen transfers between the nucleobases in the adenine-thymine (AT) base pair, analyzing the role of excited states with different nature [localized (LE) and charge transfer (CT)], and considering concerted as well as step-wise mechanisms. According to the findings, once the lowest excited states, localized in adenine, are populated during UV irradiation of the Watson-Crick base pair, the proton transfer in the N-O bridge does not require high energy in order to populate a …
Endoureterotomy with the Lovaco technique for treatment of ureterointestinal strictures: outcomes in an experienced center and factors associated wit…
2021
INTRODUCTION The study aimed to present the outcomes of an endoureterotomy series using the Lovaco technique for the treatment of ureterointestinal strictures. Factors influencing the success or failure of this technique were also determined. MATERIALS AND METHODS Data were collected from all endoureterotomies for ureterointestinal strictures performed in a single-center between 2017 and 2020. Clinical variables and characteristics of the stricture were recorded in each case, and success was defined as the complete resolution of ureterohydronephrosis. Univariate analysis was used to correlate the variables recorded with procedural success or failure. RESULTS A total of 25 patients were recr…
Rydberg or Valence? The Long-Standing Question in the UV Absorption Spectrum of 1,1′-Bicyclohexylidene
2008
The electronic excited states of the olefin 1,1'-bicylohexylidene (BCH) are investigated using multiconfigurational complete active space self-consistent-field second order perturbation theory in its multi-state version (MS-CASPT2). Our calculations undoubtedly show that the bulk of the intensity of the two unusually intense bands of the UV absorption of BCH measured with maxima at 5.95 eV and 6.82 eV in the vapor phase are due to a single pi pi* valence excitation. Sharp peaks reported in the vicinity of the low-energy feature in the gas phase correspond to the beginning of the pi 3s(R) Rydberg series. By locating the origin of the pi pi* band at 5.63 eV, the intensity and broadening of th…
Theoretical Study of the Electronic Spectrum of Imidazole
1996
The complete active space (CAS) self-consistent field (SCF) method and multireference second-order perturbation theory (CASPT2) have been used to study the electronic spectrum of imidazole and the imidazolium ion. The calculations comprise a large number of, both singlet and triplet, valence and Rydberg excited states. A newly developed continuum model has been used to compute solvatochromic shifts. In the gas phase the first and second π → π* excited singlet valence states of imidazole are computed at 6.72 and 7.15 eV, and they shift to 6.32 and 6.53 eV upon solvation. The gas-phase values are somewhat too large (≈0.3 eV) due to an erroneous valence−Rydberg mixing in the CASSCF wave functi…
Multiconfigurational second-order perturbation calculation of the electronic absorption spectrum of trisilane, Si3H8
2002
The low-lying singlet excited states of trisilane have been computed using the complete active space self-consistent field (CASSCF) method, second-order perturbation theory (CASPT2), and the extended multistate CASPT2 (MS-CASPT2) approach, and a generally contracted basis set of atomic natural orbitals (ANOs) including Rydberg functions. The ground state structure was obtained from an ab initio optimization at the second-order M⊘ller-Plesset perturbation theory (MP2) level using Dunning's correlation-consistent triple-zeta basis set (cc-pVTZ) and agrees well with experiment. The calculation of the electronic transitions included the lower valence excited states and two Rydberg series conver…
Complete-active-space second-order perturbation theory (CASPT2//CASSCF) study of the dissociative electron attachment in canonical DNA nucleobases ca…
2015
Low-energy (0-3 eV) ballistic electrons originated during the irradiation of biological material can interact with DNA/RNA nucleobases yielding transient-anion species which undergo decompositions. Since the discovery that these reactions can eventually lead to strand breaking of the DNA chains, great efforts have been dedicated to their study. The main fragmentation at the 0-3 eV energy range is the ejection of a hydrogen atom from the specific nitrogen positions. In the present study, the methodological approach introduced in a previous work on uracil [I. González-Ramírez et al., J. Chem. Theory Comput. 8, 2769-2776 (2012)] is employed to study the DNA canonical nucleobases fragmentations…
A Reduced-Form Model for Warrant Valuation
2011
This paper studies warrant valuation using a reduced-form model. Analogous to the credit risk literature, structural models require complete information about the asset value process and the firm’s liabilities. In contrast, reduced-form models require only information about the firm’s stock price process. We introduce a reduced-form model where the warrant holder is a price taker, and we relate our model to structural models appearing in the literature.