C-13 NMR Investigation of the Ph-Dependence of Copper(II) Complexation to Glucuronic-Acid

1986 ◽  
Vol 39 (9) ◽  
pp. 1307 ◽  
Author(s):  
IB Cook ◽  
RJ Magee ◽  
R Payne ◽  
B Ternai
Keyword(s):  
Aqueous Solution ◽  
Coordination Mode ◽  
Glucuronic Acid ◽  
Ph Dependence ◽  
Line Broadening ◽  
Bidentate Coordination ◽  
Differential Line ◽  
Ph Dependent

The interaction of paramagnetic copper(II) ions with glucuronic acid in aqueous solution was studied by differential line broadening analysis of carbon-13 n.m.r. spectra. Evidence is presented for pH-dependent complexation behaviour, with simple carboxylate complexation dominating below pH 4.5, and a more complicated bidentate coordination mode involving O 3 above pH 4.5.

Rationalizing the pH-Activity Response for Escherichia Coli’s Glycinamide Ribonucleotidetransformylase Through Computational Methods

2019 ◽  
Author(s):  
Adrian Roitberg ◽  
Pancham Lal Gupta
Keyword(s):  
Transfer Reaction ◽  
Catalytic Mechanism ◽  
Ph Dependence ◽  
Ph Effects ◽  
Dependent Manner ◽  
E Coli ◽  
Gar Tfase ◽  
Activity Curve ◽  
Ph Dependent ◽  
Formyl Transfer

<div>Human Glycinamide ribonucleotide transformylase (GAR Tfase), a regulatory enzyme in the de novo purine biosynthesis pathway, has been established as an anti-cancer target. GAR Tfase catalyzes the formyl transfer reaction from the folate cofactor to the GAR ligand. In the present work, we study E. coli GAR Tfase, which has high sequence similarity with the human GAR Tfase with most functional residues conserved. E. coli GAR Tfase exhibits structural changes and the binding of ligands that varies with pH which leads to change the rate of the formyl transfer reaction in a pH-dependent manner. Thus, the inclusion of pH becomes essential for the study of its catalytic mechanism. Experimentally, the pH-dependence of the kinetic parameter kcat is measured to evaluate the pH-range of enzymatic activity. However, insufficient information about residues governing the pH-effects on the catalytic activity leads to ambiguous assignments of the general acid and base catalysts and consequently its catalytic mechanism. In the present work, we use pH-replica exchange molecular dynamics (pH-REMD) simulations to study the effects of pH on E. coli GAR Tfase enzyme. We identify the titratable residues governing the pH-dependent conformational changes in the system. Furthermore, we filter out the protonation states which are essential in maintaining the structural integrity, keeping the ligands bound and assisting the catalysis. We reproduce the experimental pH-activity curve by computing the population of key protonation states. Moreover, we provide a detailed description of residues governing the acidic and basic limbs of the pH-activity curve.</div>

Visual detection of carbonate ions by inverse opal photonic crystal polymers in aqueous solution

2015 ◽  
Vol 3 (37) ◽  
pp. 9524-9527 ◽  
Author(s):  
Lu Li ◽  
Bin Zhao ◽  
Yue Long ◽  
Jin-Ming Gao ◽  
Guoqiang Yang ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Photonic Crystal ◽  
Polymer Films ◽  
Visual Detection ◽  
Color Change ◽  
Ph Dependence ◽  
Inverse Opal ◽  
Carbonate Ions ◽  
Crystal Polymer

This communication demonstrates a facile method to detect CO32− by naked eyes through color change based on the pH dependence of inverse opal photonic crystal polymer films.

Enhanced Analytic Approach for Describing pH Triggered Fast Drug Release Systems

2021 ◽  
Vol 18 ◽  
Author(s):  
Aykut Elmas ◽  
Guliz Akyuz ◽  
Ayhan Bergal ◽  
Muberra Andac ◽  
Omer Andac
Keyword(s):  
Drug Release ◽  
Ph Dependence ◽  
Slope Angle ◽  
Ph Sensitive ◽  
Analytic Model ◽  
Two Dimensional ◽  
Analytic Equation ◽  
One Dimensional ◽  
Ph Dependent ◽  
Fast Release

Background: pH sensitive dendrimers attached to nanocarriers, as one of the drug release systems, has become quite popular due to their ease of manufacture in experimental conditions and ability to generate fast drug release in the targeted area. This kind of fast release behavior cannot be represented properly most of the existing kinetic mathematical models. Besides, these models have either no pH dependence or pH dependence added separately. So, they have remained one dimensional. Objective: The aim of this study was to establish the proper analytic equation to describe the fast release of drugs from pH sensitive nanocarrier systems. Then, to combine it with the pH dependent equation for establishing a two-dimensional model for whole system. Methods: We used four common kinetic models for comparison and we fitted them to the release data. Finding that, only Higuchi and Korsmeyer-Peppas models show acceptable fit results. None of these models have pH dependence. To get a better description for pH triggered fast release, we observed the behavior of the slope angle of the release curve. Then we puroposed a new analytic equation by using relation between the slope angle and time. Result: To add a pH dependent equation, we assumed the drug release is “on” or “off” above/below specific pH value and we modified a step function to get a desired behavior. Conclusion: Our new analytic model shows good fitting, not only one-dimensional time dependent release, but also two-dimensional pH dependent release, that provides a useful analytic model to represent release profiles of pH sensitive fast drug release systems.

scholarly journals Systematic exploration of the pH dependence of a peptide hydrogel

2019 ◽  
Vol 97 (6) ◽  
pp. 430-434 ◽  
Author(s):  
Natashya Falcone ◽  
Tsuimy Shao ◽  
Xiaoyi Sun ◽  
Heinz-Bernhard Kraatz
Keyword(s):  
Mechanical Strength ◽  
Narrow Range ◽  
Ph Dependence ◽  
Stimuli Responsive ◽  
Systematic Exploration ◽  
Ph Conditions ◽  
Ph Dependent ◽  
Functional Biomaterials ◽  
Peptide Hydrogel

Stimuli-responsive peptide gels are a growing class of functional biomaterials that are involved in many applications in research. Here, we present a novel di-peptide hydrogel from the compound Boc–Phe–Trp–OH in various buffer and pH conditions. We examine the effects of different stimuli, including temperature and pH, on the mechanical strength of the gels through frequency rheology studies. We found that this hydrogelator is highly pH dependent, only forming a gel in a narrow range of pH 6–7. This hydrogelator hold promise for the development of new stimuli-responsive biomaterials for specific applications that require this type of specific stimuli.

scholarly journals Synthesis of pH-Sensitive and Self-Fluorescent Polymeric Micelles Derived From Rosin and Vegetable Oils via ATRP

2021 ◽  
Vol 9 ◽  
Author(s):  
Juan Yu ◽  
Chaoqun Xu ◽  
Chuanwei Lu ◽  
Qian Liu ◽  
Jifu Wang ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Vegetable Oils ◽  
Renewable Resources ◽  
Polymeric Micelles ◽  
Drug Loading ◽  
Dehydroabietic Acid ◽  
Great Promise ◽  
Loading Capacity ◽  
Carboxylic Groups ◽  
Ph Dependent

Preparation and application of sustainable polymers derived from renewable resources are of great significance. The aim of this study is to synthesize a kind of sustainable polymeric micelles from rosin and vegetable oils via atom transfer radical polymerization (ATRP) and to investigate the doxorubicin delivery properties of these micelles. Dehydroabietic acid–based poly lauryl methacrylate (DA-PLMA) with narrow PDI of 1.13 was prepared in a well-controlled process using rosin as an ATRP initiator. Thereafter, carboxylic groups were introduced to form poly methacrylic acid (PMAA) moieties in DA-PLMA polymer via acid hydrolysis. The resulted DA-PLMA-PMAA could self-assemble in water to form pH-dependent polymeric micelles with a diameter of ∼65 nm and PDI as low as 0.105. Owing to the existence of rosin, DA-PLMA-PMAA micelles also showed self-fluorescence properties. In addition, Dox-loaded micelles were prepared in aqueous solution with the drug-loading capacity as high as 16.0% and showed sustained-release characteristics. These results demonstrate great promise for designing polymeric micellar from rosin and vegetable oils.

scholarly journals The pH Dependence of Absorption Spectra of Carthamin in Aqueous Solution

2007 ◽  
Vol 63 (8) ◽  
pp. 185-192
Author(s):  
Tamako Otsu ◽  
Mitsuhiko Hida
Keyword(s):  
Aqueous Solution ◽  
Absorption Spectra ◽  
Ph Dependence

The reduction of I2 by H2O2 in aqueous solution

2001 ◽  
Vol 79 (3) ◽  
pp. 304-311 ◽  
Author(s):  
J M Ball ◽  
J B Hnatiw
Keyword(s):  
Aqueous Solution ◽  
Hydrogen Peroxide ◽  
Nuclear Reactor ◽  
Ph Dependence ◽  
Radiolysis Product ◽  
Molecular Iodine ◽  
Water Radiolysis ◽  
Reactor Accident ◽  
Rate Law ◽  
Accident Conditions

The reduction of I2 by hydrogen peroxide, a primary water radiolysis product, has been identified as a key reaction that would influence iodine volatility in nuclear reactor accident conditions (1–3). Although there have been a number of studies of the reduction of I2, there exists a great degree of controversy regarding the intermediates involved, the effect of buffers, and the general rate law (1–9). Because the rates and the mechanism of this reaction are important in predicting the pH dependence of iodine behaviour in reactor containment building after a postulated reactor accident, we have undertaken a kinetic study of I2 reduction by H2O2 in aqueous solution over a pH range of 6–9. The experiments were performed using stopped-flow instrumentation and monitoring the decay of I–3 spectrophotometrically. The effects of buffer catalysis have been examined by comparison of kinetic data obtained in sodium barbital (5,5-diethylbarbituric acid), disodium citrate, and disodium hydrogen phosphate buffers. The effect of buffers, combined with the complex acid dependence of the rate law, explains many of the discrepancies reported in earlier literature.Key words: hydrogen peroxide, molecular iodine, kinetics, iodine volatility.

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