Kinetics of formation of unitary three-dimensional structural elements: numerical experiment

2011 ◽  
Vol 66 (4) ◽  
pp. 571-581
Author(s):  
Yu. M. Sivergin ◽  
S. M. Usmanov
1984 ◽  
Vol 16 (4) ◽  
pp. 457-462
Author(s):  
A. E. Kalinnikov ◽  
M. G. Kurguzkin ◽  
A. V. Vakhrushev

2003 ◽  
Vol 70 ◽  
pp. 201-212 ◽  
Author(s):  
Hideaki Nagase ◽  
Keith Brew

The tissue inhibitors of metalloproteinases (TIMPs) are endogenous inhibitors of the matrix metalloproteinases (MMPs), enzymes that play central roles in the degradation of extracellular matrix components. The balance between MMPs and TIMPs is important in the maintenance of tissues, and its disruption affects tissue homoeostasis. Four related TIMPs (TIMP-1 to TIMP-4) can each form a complex with MMPs in a 1:1 stoichiometry with high affinity, but their inhibitory activities towards different MMPs are not particularly selective. The three-dimensional structures of TIMP-MMP complexes reveal that TIMPs have an extended ridge structure that slots into the active site of MMPs. Mutation of three separate residues in the ridge, at positions 2, 4 and 68 in the amino acid sequence of the N-terminal inhibitory domain of TIMP-1 (N-TIMP-1), separately and in combination has produced N-TIMP-1 variants with higher binding affinity and specificity for individual MMPs. TIMP-3 is unique in that it inhibits not only MMPs, but also several ADAM (a disintegrin and metalloproteinase) and ADAMTS (ADAM with thrombospondin motifs) metalloproteinases. Inhibition of the latter groups of metalloproteinases, as exemplified with ADAMTS-4 (aggrecanase 1), requires additional structural elements in TIMP-3 that have not yet been identified. Knowledge of the structural basis of the inhibitory action of TIMPs will facilitate the design of selective TIMP variants for investigating the biological roles of specific MMPs and for developing therapeutic interventions for MMP-associated diseases.


1979 ◽  
Vol 44 (3) ◽  
pp. 912-917 ◽  
Author(s):  
Vladimír Macháček ◽  
Said A. El-bahai ◽  
Vojeslav Štěrba

Kinetics of formation of 2-imino-4-thiazolidone from S-ethoxycarbonylmethylisothiouronium chloride has been studied in aqueous buffers and dilute hydrochloric acid. The reaction is subject to general base catalysis, the β value being 0.65. Its rate limiting step consists in acid-catalyzed splitting off of ethoxide ion from dipolar tetrahedral intermediate. At pH < 2 formation of this intermediate becomes rate-limiting; rate constant of its formation is 2 . 104 s-1.


1986 ◽  
Vol 51 (12) ◽  
pp. 2786-2797
Author(s):  
František Grambal ◽  
Jan Lasovský

Kinetics of formation of 1,2,4-oxadiazoles from 24 substitution derivatives of O-benzoylbenzamidoxime have been studied in sulphuric acid and aqueous ethanol media. It has been found that this medium requires introduction of the Hammett H0 function instead of the pH scale beginning as low as from 0.1% solutions of mineral acids. Effects of the acid concentration, ionic strength, and temperature on the reaction rate and on the kinetic isotope effect have been followed. From these dependences and from polar effects of substituents it was concluded that along with the cyclization to 1,2,4-oxadiazoles there proceeds hydrolysis to benzamidoxime and benzoic acid. The reaction is thermodynamically controlled by the acid-base equilibrium of the O-benzylated benzamidoximes.


Foods ◽  
2020 ◽  
Vol 9 (12) ◽  
pp. 1809
Author(s):  
Zhanzhi Liu ◽  
Ying Li ◽  
Jing Wu ◽  
Sheng Chen

d-mannose has exhibited excellent physiological properties in the food, pharmaceutical, and feed industries. Therefore, emerging attention has been applied to enzymatic production of d-mannose due to its advantage over chemical synthesis. The gene age of N-acetyl-d-glucosamine 2-epimerase family epimerase/isomerase (AGEase) derived from Pseudomonas geniculata was amplified, and the recombinant P. geniculata AGEase was characterized. The optimal temperature and pH of P. geniculata AGEase were 60 °C and 7.5, respectively. The Km, kcat, and kcat/Km of P. geniculata AGEase for d-mannose were 49.2 ± 8.5 mM, 476.3 ± 4.0 s−1, and 9.7 ± 0.5 s−1·mM−1, respectively. The recombinant P. geniculata AGEase was classified into the YihS enzyme subfamily in the AGE enzyme family by analyzing its substrate specificity and active center of the three-dimensional (3D) structure. Further studies on the kinetics of different substrates showed that the P. geniculata AGEase belongs to the d-mannose isomerase of the YihS enzyme. The P. geniculata AGEase catalyzed the synthesis of d-mannose with d-fructose as a substrate, and the conversion rate was as high as 39.3% with the d-mannose yield of 78.6 g·L−1 under optimal reaction conditions of 200 g·L−1d-fructose and 2.5 U·mL−1P. geniculata AGEase. This novel P. geniculata AGEase has potential applications in the industrial production of d-mannose.


2021 ◽  
Vol 329 ◽  
pp. 115537
Author(s):  
Nazia Iqbal ◽  
S.M. Shakeel Iqubal ◽  
Aejaz Abdullatif Khan ◽  
Tasneem Mohammed ◽  
Ali Mohamed Alshabi ◽  
...  

1991 ◽  
Vol 28 (2) ◽  
pp. 257-265 ◽  
Author(s):  
D. F. Graham ◽  
D. R. Grant

Side-looking, C-band synthetic-aperture radar (SAR) penetrates cloud and fog, and operates day or night, to produce pseudo-three-dimensional terrain images with enhanced topography and surface roughness. The images, which have a 20 m resolution and cover large areas, have been used to map the regional trends, patterns of lineaments, and terrain types over a 6200 km2 area of complex lithology, structure, and drift cover. Four lineament classes are differentiated. Glacial trends are clear, and bedrock structures (faults, fractures, joints, foliation, and folded bedding) with relief expression at the surface show through the drift as lineaments. They accurately reproduce most known features when compared with bedrock and Quatenary geology maps. Hitherto unrecognized structural elements are revealed. Tones and textures reflect minute surface roughness variations useful in terrain classification. SAR wide-swath-mode imagery is thus a valuable complement to aerial photography, and is superior in revealing hummocky moraine, ribbed moraine, boulder fields and stony till. Wider use of this imagery is encouraged.


Polyhedron ◽  
1995 ◽  
Vol 14 (10) ◽  
pp. 1299-1306 ◽  
Author(s):  
Ki-Young Choi ◽  
Dong Won Kim ◽  
Choon Pyo Hong

2021 ◽  
pp. 130612
Author(s):  
Eliara Acipreste Hudson ◽  
Hauster Maximiler Campos de Paula ◽  
Yara Luiza Coelho ◽  
Nícolas Glanzmann ◽  
Adilson David da Silva ◽  
...  

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