zero point
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2022 ◽  
Vol 6 (1) ◽  
pp. 37-52
Author(s):  
Aaron Anil Chadee ◽  
Xsitaaz T. Chadee ◽  
Clyde Chadee ◽  
Festus Otuloge

The tilted S-shaped utility function proposed in Prospect Theory (PT) relied fundamentally on the geometrical notion that there is a discontinuity between gains and losses, and that individual preferences change relative to a reference point. This results in PT having three distinct parameters; concavity, convexity and the reference point represented as a disjoint between the concavity and convexity sections of the curve. The objective of this paper is to examine the geometrical violations of PT at the zero point of reference. This qualitative study adopted a theoretical review of PT and Markowitz’s triply inflected value function concept to unravel methodological assumptions which were not fully addressed by either PT or cumulative PT. Our findings suggest a need to account for continuity and to resolve this violation of PT at the reference point. In so doing, an alternative preference transition theory, was proposed as a solution that includes a phase change space to cojoin these three separate parameters into one continuous nonlinear model. This novel conceptual model adds new knowledge of risk and uncertainty in decision making. Through a better understanding of an individual’s reference point in decision making behaviour, we add to contemporary debate by complementing empirical studies and harmonizing research in this field. Doi: 10.28991/ESJ-2022-06-01-03 Full Text: PDF


2022 ◽  
Author(s):  
Rolf Ergon

It is well documented that populations adapt to climate change by means of phenotypic plasticity, but few reports on adaptation by means of genetically based microevolution caused by selection. Disentanglement of these separate effects requires that the environmental zero-point is defined, and this should not be done arbitrarily. Together with parameter values, the zero-point can be estimated from environmental, phenotypic and fitness data. A prediction error method for this purpose is described, with the feasibility shown by simulations. An estimated environmental zero-point may have large errors, especially for small populations, but may still be a better choice than use of an initial environmental value in a recorded time series, or the mean value, which is often used. Another alternative may be to use the mean value of a past and stationary stochastic environment, which the population is judged to have been fully adapted to, in the sense that the mean fitness was at a global maximum. An exception is here cases with constant phenotypic plasticity, where the microevolutionary change per generation follows directly from phenotypic and environmental data, independent of the chosen environmental zero-point.


2022 ◽  
Vol 23 (2) ◽  
pp. 621
Author(s):  
Marine Lebel ◽  
Thibaut Very ◽  
Eric Gloaguen ◽  
Benjamin Tardivel ◽  
Michel Mons ◽  
...  

The present benchmark calculations testify to the validity of time-dependent density functional theory (TD-DFT) when exploring the low-lying excited states potential energy surfaces of models of phenylalanine protein chains. Among three functionals suitable for systems exhibiting charge-transfer excited states, LC-ωPBE, CAM-B3LYP, and ωB97X-D, which were tested on a reference peptide system, we selected the ωB97X-D functional, which gave the best results compared to the approximate coupled-cluster singles and doubles (CC2) method. A quantitative agreement for both the geometrical parameters and the vibrational frequencies was obtained for the lowest singlet excited state (a ππ* state) of the series of capped peptides. In contrast, only a qualitative agreement was met for the corresponding adiabatic zero-point vibrational energy (ZPVE)-corrected excitation energies. Two composite protocols combining CC2 and DFT/TD-DFT methods were then developed to improve these calculations. Both protocols substantially reduced the error compared to CC2 and experiment, and the best of both even led to results of CC2 quality at a lower cost, thus providing a reliable alternative to this method for very large systems.


2022 ◽  
Author(s):  
Saikat Mukherjee ◽  
Mario Barbatti

The problem associated with the zero-point energy (ZPE) leak in classical trajectory calculations is well known. Since ZPE is a manifestation of the quantum uncertainty principle, there are no restrictions on energy during the classical propagation of nuclei. This phenomenon can lead to unphysical results, such as forming products without the ZPE in the internal vibrational degrees of freedom (DOFs). The ZPE leakage also permits reactions below the quantum threshold for the reaction. We have developed a new Hessian-free method, inspired by the Lowe-Andersen thermostat model, to prevent energy dipping below a threshold in the local-pair (LP) vibrational DOFs. The idea is to pump the leaked energy to the corresponding local vibrational mode, taken from the other vibrational DOFs. We have applied the new correction protocol on the ab initio ground-state molecular dynamics simulation of the water dimer (H20)2, which dissociates due to unphysical ZPE spilling from the high-frequency OH modes. The LP-ZPE method has been able to prevent the ZPE spilling of the OH stretching modes by pumping back the leaked energy into the corresponding modes while this energy is taken from the other modes of the dimer itself, keeping the system as a microcanonical ensemble.


Author(s):  
Jiang Bian ◽  
Anthony Cruz ◽  
Gabriel Lopez-Morales ◽  
Anton Kyrylenko ◽  
Donna McGregor ◽  
...  

Histidine (an imidazole-based amino acid) is a promising building block for short aromatic peptides containing a proton donor/acceptor moiety. Previous studies have shown that polyalanine helical peptides substituted at regular intervals with histidine residues exhibit both structural stability as well as high proton affinity and high conductivity. Here, we present first-principle calculations of non-aqueous histidine-containing 310-,  and -helices and show that they are able to form hydrogen-bonded networks mimicking proton wires that have the ability to shuttle protons via the Grotthuss shuttling mechanism. The formation of these wires enhances the stability of the helices, and our structural characterizations confirm that the secondary structures are conserved despite distortions of the backbones. In all cases, the helices exhibit high proton affinity and proton transfer barriers on the order of 1~4 kcal/mol. Zero-point energy calculations suggest that for these systems, ground state vibrational energy can provide enough energy to cross the proton transport energy barrier. Additionally, ab initio molecular dynamics results suggests that the protons are transported unidirectionally through the wire at a rate of approximately 2 Å every 20 fs. These results demonstrate that efficient deprotonation-controlled proton wires can be formed using non-aqueous histidine-containing helical peptides.


2022 ◽  
Vol 37 ◽  
pp. 153331752110689
Author(s):  
Weidong Song ◽  
Xiaohui Hu ◽  
Guohua Xie ◽  
Wentao Lai ◽  
Yang Wang ◽  
...  

Objective: Auditory P50 gating changed might be a neurophysiological biomarker of the diagnosis of Mild Cognitive Impairment (MCI). We aimed to determine the impact of MCI in auditory P50 gating. Methods: All recruited participants completed structured questionnaires and finished auditory P50 gating measure. Results: A total of 20 MCI patients and 17 controls had been recruited. MCI patients had a significant higher reduction of P50 gating at Fz site, when compared to controls (1.21 ± .68 vs .66 ± .37, P = .00). Zero point five was the best cut off point to distinguish MCI and control of auditory P50 gating S2/S1 at Fz site. The P50 average amplitude at Pz site in MCI patients was significantly higher than controls (2.62 ± 1.20 vs 1.70 ± .74, P = .01). Conclusion: MCI patients might have impaired the ability of inhibiting the repeated stimulus.


2021 ◽  
pp. 127-143
Author(s):  
Teodor Gyelník

The events and processes of the recent decades drive us to awake from the hypnotic illusion of the ‘end of history’. The ‘return of history’ is not only a necessary step that has to be taken, but it is ontologically inevitable. Blinded by the mobile army of metaphors, metonyms and anthropomorphisms, we need to see that the processes of the 21st century are no different from the old politics which were recorded in history, thus it is unavoidable to think within the ‘dialectics of Old and New’. Globalization, relativization of values, removal of borders and the re-narration of borders in previously unseen areas lead us to an existential zero point. Borders play significant self-determining and self-definition role in our life and society, thus their relocation, reorientation and blurring of their meaning is a question that has to be analysed and closely watched. Together with the narration of borders, the narration of security plays major role. Migration and the question of open, permeable borders have become one of the most important security narrations of our everyday life.


2021 ◽  
Author(s):  
Shunashi Guadalupe Castillo-López ◽  
Raúl Esquivel-Sir ◽  
Giuseppe Pirruccio ◽  
Carlos Villarreal

Abstract We present a comprehensive analysis of the out-of-equilibrium Casimir pressure between two high-T c superconducting plates, each kept at a different temperature. Two interaction regimes can be distinguished. While the zero-point energy dominates in the near field, thermal effects become important at large interplate separations causing a drop in the force’s magnitude compared with the usual thermal-equilibrium case. Our detailed calculations highlight the competing role played by propagating and evanescent modes. Moreover, as one of the plates undergoes the superconducting transition, we predict a sudden discontinuity in the force for any plate distance, which has not been previously observed in other systems. The sensitivity of the dielectric function of the high-T c superconductors makes them ideal systems for a possible direct measurement of the out-of-equilibrium Casimir pressure.


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