scholarly journals Studying the Effects of ACE2 Mutations on the Stability, Dynamics, and Dissociation Process of SARS-CoV-2 S1/hACE2 Complexes

2020 ◽  
Vol 19 (11) ◽  
pp. 4609-4623 ◽  
Author(s):  
Hamid Hadi-Alijanvand ◽  
Maryam Rouhani
Author(s):  
A.B. Naik ◽  
M.S. Poharkar

The stability constant on complexation of rare earth metal ions Eu (III), Gd (III), Nd (III) and Tb (III) with substituted thiazole in 70% Dioxane (Dx)-water mixture have been determined by a pH and spectrophotometric method at 298.15K and ionic strength 0.1mol.dm-3(sodium perchlorate). At constant temperature, the stability constant of the formed complexes decreases in the order Tb (III), Gd (III), Eu (III), Nd (III). The dissociation process is non-spontaneous, endothermic and entrophically unfavorable while formation of metal complexes has been found to be spontaneous, endothermic and entrophically favorable.


2013 ◽  
Vol 8 (2) ◽  
pp. 55-62 ◽  
Author(s):  
Olha Kozmenko ◽  
◽  
Olha Kuzmenko ◽  

2006 ◽  
Vol 60 (1) ◽  
Author(s):  
A. Fouda ◽  
A. Al-Sarawy ◽  
E. El-Katori

AbstractThe dissociation constants of 3-methyl-1-phenyl-{p-[N-(pyrimidin-2-yl)sulfamoyl]phenylazo}-2-pyrazolin-5-one and metal-ligand stability constants of its complexes with some transition metal ions have been determined potentiometrically in 0.1 M-KCl and ethanol—water mixture (30 vol. %). The order of the stability constants of the formed complexes increases in the sequence Mn2+, Co2+, Ni2+, Cu2+, La3+, Hf3+, UO22+, Zr4+. The effect of temperature was studied and the corresponding thermodynamic parameters (ΔG, ΔH, and ΔS) were derived and discussed. The dissociation process is nonspontaneous, endothermic, and entropically unfavourable. The formation of the metal complexes was found to be spontaneous, exothermic, and entropically favourable.


2014 ◽  
Vol 747 ◽  
pp. 460-480 ◽  
Author(s):  
M. Pradas ◽  
D. Tseluiko ◽  
C. Ruyer-Quil ◽  
S. Kalliadasis

AbstractWe examine the stability, dynamics and interactions of solitary waves in a two-dimensional vertically falling thin liquid film that exhibits shear-thinning effects. We use a low-dimensional two-field model that describes the evolution of both the local flow rate and the film thickness and is consistent up to second-order terms in the long-wave expansion. The shear-thinning behaviour is modelled via a power-law formulation with a Newtonian plateau in the limit of small strain rates. Our results show the emergence of a hysteresis behaviour as the control parameter (the Reynolds number) is increased which is directly related to the shear-thinning character of the liquid and can be quantified with both linear analysis arguments and a physical interpretation. We also study pulse interactions, observing that two pulses may attract or repel each other either monotonically or in an oscillatory manner. In large domains we find that for a given Reynolds number the final state depends on the initial condition, a consequence of the presence of multiple solutions.


2014 ◽  
Author(s):  
Olga Volodimirivna Kozmenko ◽  
Olha Vitaliivna Kuzmenko

FEBS Journal ◽  
2014 ◽  
Vol 282 (9) ◽  
pp. 1774-1785 ◽  
Author(s):  
Susan L. Kloet ◽  
H. Irem Baymaz ◽  
Matthew Makowski ◽  
Vincent Groenewold ◽  
Pascal W. T. C. Jansen ◽  
...  

1999 ◽  
Vol 77 (7) ◽  
pp. 1305-1309 ◽  
Author(s):  
Ashraf A El-Bindary ◽  
Adel Z El-Sonbati ◽  
Hanan M Kera

Proton-ligand dissociation constants of 4-(4-acetophenyl)hydrazono-3-methyl-2-pyrazolin-5-one (AHMP) and metal-ligand stability constants of its complexes with some transition metal ions were calculated potentiometrically in 0.1 M KCl and 50% (v/v) ethanol-water mixture. The order of stability constants was found to be Th4+ > UO22+ > Ce3+ > La3+ > Mn2+ < Co2+ < Ni2+ < Cu2+ > Zn2+. The dissociation constant, pK1H, of AHMP and the stability constants, log K, of their complexes were determined at different temperatures (298, 308, and 318 K). The corresponding thermodynamic parameters (ΔG, ΔH, and ΔS) were derived and discussed. The dissociation process is nonspontaneous, endothermic, and entropically unfavourable. The formation of the metal complexes has been found to be spontaneous, exothermic, or endothermic (depending the metal), and entropically favourable. The stoichiometries of these complexes were determined conductometrically and indicated the formation of 1:1 and 1:2 (metal:ligand) complexes. Key words: 4-(4-acetophenyl)hydrazono-3-methyl-2-pyrazolin-5-one, dissociation and stability constants, thermodynamic parameters, stoichiometries.


2008 ◽  
Vol 105 (46) ◽  
pp. 17784-17788 ◽  
Author(s):  
Daniel G. Isom ◽  
Brian R. Cannon ◽  
Carlos A. Castañeda ◽  
Aaron Robinson ◽  
Bertrand García-Moreno E.

Internal ionizable groups are quite rare in water-soluble globular proteins. Presumably, this reflects the incompatibility between charges and the hydrophobic environment in the protein interior. Here we show that proteins can have an inherently high tolerance for internal ionizable groups. The 25 internal positions in staphylococcal nuclease were substituted one at a time with Lys, Glu, or Asp without abolishing enzymatic activity and without detectable changes in the conformation of the protein. Similar results with substitutions of 6 randomly chosen internal positions in ribonuclease H with Lys and Glu suggest that the ability of proteins to tolerate internal ionizable groups might be a property common to many proteins. Eighty-six of the 87 substitutions made were destabilizing, but in all but one case the proteins remained in the native state at neutral pH. By comparing the stability of each variant protein at two different pH values it was established that the pKa values of most of the internal ionizable groups are shifted; many of the internal ionizable groups are probably neutral at physiological pH values. These studies demonstrate that special structural adaptations are not needed for ionizable groups to exist stably in the hydrophobic interior of proteins. The studies suggest that enzymes and other proteins that use internal ionizable groups for functional purposes could have evolved through the random accumulation of mutations that introduced ionizable groups at internal positions, followed by evolutionary adaptation and optimization to modulate stability, dynamics, and other factors necessary for function.


Author(s):  
Charles Roberto Telles

By defining a constant probabilistic orbit of and iterated functions, the stability dynamics of these functions in possible interactions through connectivity provides the formation of a dynamic fixed point as a metric space between both iterated functions. The presence of a dynamic fixed point identifies qualitatively phases of iteration time lengths and interaction orbits of the event. Qualitative results show that the greater the average distance from one of the functions to the fixed point of the other (all possible solutions), the higher the iteration expression on time (false asymptotic effect) of one of the functions and in the opposite hand, the lower the average distance, the higher orbit&rsquo;s interactions proximity between iterated functions (stability). This feature reveals asymptotic (well-defined) behavior between functions f and g within a well-defined Lyapunov stability.


Author(s):  
MANEL PERUCHO

Relativistic jets carry energy and particles from compact to very large scales compared with their initial radius. This is possible due to their remarkable collimation despite their intrinsic unstable nature. In this contribution, I review the state-of-the-art of our knowledge on instabilities growing in those jets and several stabilising mechanisms that may give an answer to the question of the stability of jets. In particular, during the last years we have learned that the limit imposed by the speed of light sets a maximum amplitude to the instabilities, contrary to the case of classical jets. On top of this stabilising mechanism, the fast growth of unstable modes with small wavelengths prevents the total disruption and entrainment of jets. I also review several non-linear processes that can have an effect on the collimation of extragalactic and microquasar jets. Within those, I remark possible causes for the decollimation and deceleration of FRI jets, as opposed to the collimated FRII's. Finally, I give a summary of the main reasons why jets can propagate through such long distances.


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