Role of binding energy (edge-to-face contact of mineral platelets) in the acoustical properties of oceanic mud sediments

2014 ◽  
Vol 136 (4) ◽  
pp. 2179-2179
Author(s):  
Allan D. Pierce ◽  
William L. Siegmann
1981 ◽  
Vol 87 (1-2) ◽  
pp. 24-26 ◽  
Author(s):  
K.E. Stiebing ◽  
I. Tserruya ◽  
K. Bethge ◽  
H. Schmidt-Böcking
Keyword(s):  

2019 ◽  
Vol 20 (24) ◽  
pp. 6256 ◽  
Author(s):  
Raju Dash ◽  
Md. Chayan Ali ◽  
Nayan Dash ◽  
Md. Abul Kalam Azad ◽  
S. M. Zahid Hosen ◽  
...  

Sulfotransferase 1A1 (SULT1A1) is responsible for catalyzing various types of endogenous and exogenous compounds. Accumulating data indicates that the polymorphism rs9282861 (R213H) is responsible for inefficient enzymatic activity and associated with cancer progression. To characterize the detailed functional consequences of this mutation behind the loss-of-function of SULT1A1, the present study deployed molecular dynamics simulation to get insights into changes in the conformation and binding energy. The dynamics scenario of SULT1A1 in both wild and mutated types as well as with and without ligand showed that R213H induced local conformational changes, especially in the substrate-binding loop rather than impairing overall stability of the protein structure. The higher conformational changes were observed in the loop3 (residues, 235–263), turning loop conformation to A-helix and B-bridge, which ultimately disrupted the plasticity of the active site. This alteration reduced the binding site volume and hydrophobicity to decrease the binding affinity of the enzyme to substrates, which was highlighted by the MM-PBSA binding energy analysis. These findings highlight the key insights of structural consequences caused by R213H mutation, which would enrich the understanding regarding the role of SULT1A1 mutation in cancer development and also xenobiotics management to individuals in the different treatment stages.


Biochemistry ◽  
1995 ◽  
Vol 34 (37) ◽  
pp. 11678-11689 ◽  
Author(s):  
Adrian Whitty ◽  
Carol A. Fierke ◽  
William P. Jencks
Keyword(s):  

2020 ◽  
Author(s):  
Huma Khan ◽  
Tahir Husain ◽  
Monika Kataria ◽  
Amit Seth ◽  
Md. Zubbair Malik ◽  
...  

AbstractHypertension is one of a major reason of mortality and morbidity and it is associated with heart and renal disease. The aim of this study is to find out the antihypertensive role of bioactive compounds from selected medicinal plants targeting ACE molecule which so far is not known. The plants taken in this study were Moringa oleifera, Azadirachta indica, and Hibiscus sabdariffa. The nitric oxide and superoxide scavenging property vary from 39.50% to 68% and 37.67 % to 75.50 %. respectively. The inhibition of ACE activity was found maximally in methanolic extract of A. indica (74 %), followed by H. sabdariffa (73.4%), and least in M. oleifera (71.8 %). The bioactive chloroform fraction was characterized for the presence of compound using standard techniques such as LCMS and NMR (13C-NMR 1H-NMR). The results revealed the presence of beta-sitosterol in M. oleifera, azadiradionolide in A. indica and hibiscitrin in H. sabdariffa. The compounds have shown significant low binding energy for hibiscitrin (−12.3kcal/mol), beta-sitosterol (−11.2kcal/mol) and azadiradionolide (−11.3kcal/mol) indicating the high efficacy of binding on the enzyme. While, binding energy of drug captopril was −5.6kcal/mol & enalpril - 8.1kcal/mol in the same pocket of the ACE molecule. Upon subjecting molecular dynamic simulation results indicated that beta sitosterol complex provided more compactness than the hibiscitrin and azadiradionolide compounds. The current study delivers a new perspective for the drug development against systolic blood pressure regulation and also opens new horizons for considering alternate highly potent drug target for hypertension.


2019 ◽  
Vol 5 (1) ◽  
pp. 274-283
Author(s):  
Zorana Đorđević ◽  
Dragan Novković

AbstractThe overall experience of religious practice is significantly affected by the acoustical properties of temples. Divine service is the most important act in the Orthodox Church, which equally demands intelligibility of speech for preaching and as well as adequate acoustics for Byzantine chanting as a form of a song-prayer. In order to better understand and contribute to unlocking the role of sound in these historical sacral spaces, this paper explores the acoustics of two well-preserved Orthodox churches, from Ljubostinja and Naupara monastery, built in the last building period of medieval Serbia (1371–1459). These represent two types of the Morava architectural style – triconch combined with a developed and compressed inscribed cross, respectively. Using EASERA software, we measured the impulse response for two sound source positions – in the altar and in the southern chanting apse, as the main points from which the Orthodox service is carried out. Thus obtained acoustic parameters (RT, EDT, C50 and STI) were further analysed, pointing out the differences in experiencing sound between naos and narthex, as well as how the position of the sound source influenced the experience of sound. Finally, we compared the results with previous archaeoacoustic research of the churches from the same building period.


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