Search results for "geometry."

DFT study of N–H···O hydrogen bond between model dehydropeptides and water molecule

2013

The strength of the hydrogen bond formed between a water molecule and two α,β-dehydroalanine derivatives including Ac-ΔAla-NMe2 (1) and Ac-ΔAla-NHMe (2) in comparison with standard amino acid Ac-Ala-NMe2 (3) is studied by density functional theory (with M06-2X and B3LYP functionals). Calculations were conducted for two different conformations of the peptides: extended (C5) and bent (β) with polyproline II backbone dihedral angles. The obtained results show that both dehydro and standard peptides in bent conformation form stronger hydrogen bonds with water than in the extended ones. Moreover, due to higher polarity of the N–H group of α,β-dehydroalanine residues, the H-bond in their complexe…

Theozyme for antibody aldolases. Characterization of the transition-state analogueElectronic supplementary information (ESI) available: MP2/6-31G** e…

2003

A theozyme for antibody aldolases has been studied at the MP2/6-31G** computational level. Formation of two cooperative hydrogen-bonds between the acidic hydrogen atoms of the enamine and of a methanol molecule with the oxygen atom of the aldol acceptor markedly favors the C–C bond-formation associated with the aldol reaction. A comparative analysis of the geometry, the charge distribution and the shape of the molecular electrostatic potential of the transition structure (TS) with the covalent adduct, resulting from the reaction of methylamine and the β-diketone used as a hapten allows us to characterize the transition-state analogue (TSA) generated at immunization. This finding allows us t…

RELATIONSHIPS BETWEEN PLASMA ALDOSTERONE LEVELS AND LEFT VENTRICULAR MASS AND GEOMETRY IN ESSENTIAL HYPERTENSIVE PATIENTS: DOES SEX MATTER?

2019

Introduction: Experimental evidence suggested that aldosterone can cause myocardial hypertrophy and fibrosis. However, previous studies on the association between plasma aldosterone concentration (PAC) and left ventricular (LV) mass (LVM) and geometry, in subjects without primary aldosteronism yielded conflicting results. Aim: To evaluate the relationships of PAC with LV mass and geometry in patients with essential hypertension (EH), and to assess the influence of gender on these relationships. Methods: We enrolled 478 subjects (men: 63%; mean age 44 ± 12 years) with untreated EH. The measurements included 24-h blood pressures, plasma renin activity (PRA) and PAC, obtained by radioimmunoass…

A coincidence-point problem of Perov type on rectangular cone metric spaces

2017

We consider a coincidence-point problem in the setting of rectangular cone metric spaces. Using alpha-admissible mappings and following Perov's approach, we establish some existence and uniqueness results for two self-mappings. Under a compatibility assumption, we also solve a common fixed-point problem.

A descendent tropical Landau–Ginzburg potential for $\mathbb{P}^2$

2016

Bhabha Scattering and a special pencil of K3 surfaces

2018

We study a pencil of K3 surfaces that appeared in the $2$-loop diagrams in Bhabha scattering. By analysing in detail the Picard lattice of the general and special members of the pencil, we identify the pencil with the celebrated Ap\'ery--Fermi pencil, that was related to Ap\'ery's proof of the irrationality of $\zeta(3)$ through the work of F. Beukers, C. Peters and J. Stienstra. The same pencil appears miraculously in different and seemingly unrelated physical contexts.

Free sequences and the tightness of pseudoradial spaces

2019

Let F(X) be the supremum of cardinalities of free sequences in X. We prove that the radial character of every Lindelof Hausdorff almost radial space X and the set-tightness of every Lindelof Hausdorff space are always bounded above by F(X). We then improve a result of Dow, Juhasz, Soukup, Szentmiklossy and Weiss by proving that if X is a Lindelof Hausdorff space, and $$X_\delta $$ denotes the $$G_\delta $$ topology on X then $$t(X_\delta ) \le 2^{t(X)}$$ . Finally, we exploit this to prove that if X is a Lindelof Hausdorff pseudoradial space then $$F(X_\delta ) \le 2^{F(X)}$$ .

Cardinal estimates involving the weak Lindelöf game

2021

AbstractWe show that if X is a first-countable Urysohn space where player II has a winning strategy in the game $$G^{\omega _1}_1({\mathcal {O}}, {\mathcal {O}}_D)$$ G 1 ω 1 ( O , O D ) (the weak Lindelöf game of length $$\omega _1$$ ω 1 ) then X has cardinality at most continuum. This may be considered a partial answer to an old question of Bell, Ginsburg and Woods. It is also the best result of this kind since there are Hausdorff first-countable spaces of arbitrarily large cardinality where player II has a winning strategy even in the weak Lindelöf game of countable length. We also tackle the problem of finding a bound on the cardinality of a first-countable space where player II has a wi…

Bifurcations of Links of Periodic Orbits in Non-Singular Systems with Two Rotational Symmetries on S3

1997

A topological characterization of all possible links composed of the periodic orbits of a Non Singular Morse-Smale flow on S3 has been made by M. Wada. The presence of symmetry forces the appearance of given types of links. In this paper we introduce a geometrical tool to represent these type of links when a symmetry around two axes is considered on NMS systems: mosaics. On the other hand, we use mosaics to study what kind of bifurcation can occur in this type of system maintaining the symmetry.

Rank two aCM bundles on the del Pezzo fourfold of degree 6 and its general hyperplane section

2018

International audience; In the present paper we completely classify locally free sheaves of rank 2 with vanishing intermediate cohomology modules on the image of the Segre embedding $\mathbb{P}^2$ x $\mathbb{P}^2 \subseteq \mathbb{P}^8$ and its general hyperplane sections.Such a classification extends similar already known results regarding del Pezzo varieties with Picard numbers 1 and 3 and dimension at least 3.