Understanding the binding interaction between phenyl boronic acid P1 and sugars: determination of association and dissociation constants using S–V plots, steady‐state spectroscopic methods and molecular docking

Luminescence ◽  
2020 ◽  
Author(s):  
Raveendra Melavanki ◽  
Kalpana Sharma ◽  
Basappa Chanabasapa Yallur ◽  
Raviraj Kusanur ◽  
Kishor Kumar Sadasivuni ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Steady State ◽  
Boronic Acid ◽  
Dissociation Constants ◽  
Spectroscopic Methods ◽  
Binding Interaction ◽  
Phenyl Boronic Acid

Investigation of the binding interaction between estazolam and bovine serum albumin: multi-spectroscopic methods and molecular docking technique

2016 ◽  
Vol 35 (16) ◽  
pp. 3605-3614 ◽  
Author(s):  
Yin-Fei Zhang ◽  
Kai-Li Zhou ◽  
Yan-Yue Lou ◽  
Dong-qi Pan ◽  
Jie-Hua Shi
Keyword(s):  
Molecular Docking ◽  
Bovine Serum Albumin ◽  
Serum Albumin ◽  
Bovine Serum ◽  
Spectroscopic Methods ◽  
Binding Interaction

Binding interaction of atorvastatin with bovine serum albumin: Spectroscopic methods and molecular docking

2016 ◽  
Vol 156 ◽  
pp. 155-163 ◽  
Author(s):  
Qi Wang ◽  
Chuan-ren Huang ◽  
Min Jiang ◽  
Ying-yao Zhu ◽  
Jing Wang ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Bovine Serum Albumin ◽  
Serum Albumin ◽  
Bovine Serum ◽  
Spectroscopic Methods ◽  
Binding Interaction

Binding interaction between 2-methoxy-5-fluoro phenyl boronic acid and sugars: Effect of structural change of sugars on binding affinity

2016 ◽  
Vol 94 (12) ◽  
pp. 1384-1389 ◽  
Author(s):  
P. Bhavya ◽  
R.M. Melavanki ◽  
D. Nagaraja ◽  
H.S. Geethanjali ◽  
R.A. Kusanur ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Structural Change ◽  
Boronic Acid ◽  
Spectroscopic Method ◽  
Binding Constants ◽  
Intramolecular Hydrogen Bonding ◽  
Binding Interaction ◽  
Phenyl Boronic Acid ◽  
Furanose Form ◽  
Intramolecular Hydrogen

The binding interaction of 2-methoxy-5-fluoro phenyl boronic acid with various sugars like dextrose, arabinose, xylose, sucrose, and lactose is investigated in aqueous medium at pH 7.4 using the fluorescence spectroscopic method. Fluorescence intensity is reduced upon addition of sugars. The change in the intensity is attributed to breaking of intramolecular hydrogen bonding and to the lesser stability of boronic ester. Data are analyzed using the Benesi–Hildebrand equation and Lineweaver–Burk equation. The estimated binding constants are greater in mono sugars arabinose and xylose. The fact that a structural change in sugar arises due to mutarotation plays a major role in binding interactions. The furanose form of the sugar is found to be more favoured for binding.

Determination of acidic dissociation constants of L-phenylalanyl-glycine and L-alanyl-L-alanine in water using ab initio methods

2014 ◽  
Vol 2 (42) ◽  
pp. 263-263
Author(s):  
Farhoush Kiani ◽  
Mahmoud Tajbakhsh ◽  
Fereydoon Ashrafi ◽  
Nesa Shafiei ◽  
Azar Bahadori ◽  
...  
Keyword(s):  
Ab Initio ◽  
Dissociation Constants ◽  
Ab Initio Methods ◽  
Acidic Dissociation

STEADY-STATE DETERMINATION OF FUEL-BOND NITROGEN IN DIESEL AND INDUSTRIAL GAS OIL

Clean Air ◽  
2007 ◽  
Vol 8 (4) ◽  
pp. 359-371
Author(s):  
A. Medeiros ◽  
R. Edenhofer ◽  
K. Lucka ◽  
H. Kohne
Keyword(s):  
Steady State ◽  
Gas Oil ◽  
State Determination

Arylboronic Acids in Self-condensation of Glucosamines Forming Deoxyfructosazine, Catalysts or Reagents?

2019 ◽  
Author(s):  
Meifeng Wang ◽  
Gan Zhu ◽  
Yiqun Li ◽  
Liuqun Gu
Keyword(s):  
Molecular Recognition ◽  
Boric Acid ◽  
Boronic Acid ◽  
Catalytic Mechanism ◽  
Organic Transformations ◽  
Food Industries ◽  
Arylboronic Acids ◽  
Excess Amount ◽  
Phenyl Boronic Acid ◽  
Boron Acid

Arylboronic acids were widely used as efficient catalysts in direct amide formation and other organic transformations. Surprisingly, reports on their use as catalysts in carbohydrates synthesis are very rare even though boron acid-diol complexation was extensively investigated in molecular recognition for saccharides and so on. Here we developed an efficient arylboronic acids catalyzed dimerization of glucosamines forming deoxyfructosazine which is important compound in pharmaceutical and food industries, against a commonly held belief that excess amount of phenyl boronic acid (or boric acid) is a must. A catalytic mechanism was also proposed and arylboronic acids instead of their boronates was identified as catalysts.

Calcium Budgets for Catchments as Interpreted by Strontium Isotopes

1989 ◽  
Vol 20 (2) ◽  
pp. 85-96 ◽  
Author(s):  
Gunnar Jacks ◽  
Göran Åberg ◽  
P. Joseph Hamilton
Keyword(s):  
Steady State ◽  
Forest Ecosystem ◽  
Coniferous Forest ◽  
Strontium Isotopes ◽  
Runoff Water ◽  
Weathering Rate ◽  
Weathering Rates ◽  
Exchangeable Calcium

Strontium isotopes in precipitation, soil and runoff water can be used to establish a ratio of wet plus dry deposited Sr to Sr released by weathering. This ratio is especially enhanced in areas with old acid Proterozoic rocks (0.6-2.5 Ga) and Archean rocks (>2.5 Ga). Since Sr and Ca behave in an analogous way in the coniferous forest ecosystem the results for Sr can be used for the determination of Ca. If the deposition of calcium can be calculated reasonably accurately the weathering rate can also be estimated. Five catchments have been investigated using this approach. Three of them seem to be close to a steady state, wherein the losses and gains of calcium to the system are equal. In the two southern-most catchments there seems to be an ongoing loss of exchangeable calcium. The loss by runoff occurs with sulphate being the dominant anion. Weathering rates of 1.5 to 4.8 kg Ca/ha year have been estimated.

A Graphical Method for Storage Coefficient Determination from Quasi-Steady State Flow Data

1996 ◽  
Vol 27 (4) ◽  
pp. 247-254 ◽  
Author(s):  
Zekâi Şen
Keyword(s):  
Steady State ◽  
Graphical Method ◽  
Pumping Test ◽  
Quasi Steady State ◽  
Flow Data ◽  
Steady State Flow ◽  
Storage Coefficient ◽  
State Flow ◽  
Aquifer Test

A simple, approximate but practical graphical method is proposed for estimating the storage coefficient independently from the transmissivity value, provided that quasi-steady state flow data are available from a pumping test. In the past, quasi-steady state flow distance-drawdown data have been used for the determination of transmissivity only. The method is applicable to confined and leaky aquifers. The application of the method has been performed for various aquifer test data available in the groundwater literature. The results are within the practical limits of approximation compared with the unsteady state flow solutions.

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