scholarly journals Calculation of Stability Constant of Metal-thiosemicarbazone Complexes using MLR, PCR and ANN

2019 ◽  
Vol 12 (25) ◽  
pp. 1-10
Author(s):  
Nguyen Minh Quang ◽  
Pham Nu Ngoc Han, ◽  
Nguyen Thi Ai Nhung2 ◽  
Pham Van Tat1 ◽  
◽  
...  
Keyword(s):  
Stability Constant ◽  
Thiosemicarbazone Complexes

Synthesis and solvatochromic studies of 2- amino-3-phenolazo1-(4-sulfophenyl)-3-methyi-5-pyrozolone and use it for the determination of trace amount of Nickel (II) in blood samples

2016 ◽  
Vol 5 (10) ◽  
pp. 4920
Author(s):  
Amar M. Ali ◽  
Hussain. J. Mohammed*
Keyword(s):  
Stability Constant ◽  
Trace Amount ◽  
Benzenesulfonic Acid ◽  
Determination Method ◽  
Blood Samples ◽  
Determination Of Nickel ◽  
Normal Human ◽  
The Stability ◽  
Normal Human Blood

A new, simple, sensitive and rapid spectrophotometric method is proposed for the determination of trace amount of Nickel (II). The method is based on the formation of a 1:2 complex with 4-(4-((2-hydroxy-6-nitrophenyl) diazenyl) -3-methyl-5-oxo-2, 5-dihydro-1H-pyrazol-1-yl) benzenesulfonic acid (2-ANASP) as a new reagent is developed. The complex has a maximum absorption at 516 nm and εmax of 1. 84 X 105 L. mol-1. cm-1. A linear correlation (0. 25 – 4. 0μg. ml-1) was found between absorbance at λmax and concentration. The accuracy and reproducibility of the determination method for various known amounts of Nickel (II) were tested. The results obtained are both precise (RSD was 1. 2 %) and accurate (relative error was 0. 787 %). The effect of diverse ions on the determination of Nickel (II) to investigate the selectivity of the method were also studied. The stability constant of the product was 0. 399 X 106 L. mol-1. The proposed method was successfully applied to the analysis of diabetes blood and normal human blood. 

scholarly journals New Mononuclear and Binuclear Cu(II), Co(II), Ni(II), and Zn(II) Thiosemicarbazone Complexes with Potential Biological Activity: Antimicrobial and Molecular Docking Study

Molecules ◽  
2021 ◽  
Vol 26 (8) ◽  
pp. 2288
Author(s):  
Ahmed Gaber ◽  
Moamen S. Refat ◽  
Arafa A.M. Belal ◽  
Ibrahim M. El-Deen ◽  
Nader Hassan ◽  
...  
Keyword(s):  
Antibacterial Activity ◽  
Biological Activity ◽  
Molecular Docking ◽  
Metal Complexes ◽  
Analytical Data ◽  
Docking Study ◽  
Spectroscopic Techniques ◽  
Molecular Docking Study ◽  
Tetrahedral Geometry ◽  
Thiosemicarbazone Complexes

Herein, we report the synthesis of eight new mononuclear and binuclear Co2+, Ni2+, Cu2+, and Zn2+ methoxy thiosemicarbazone (MTSC) complexes aiming at obtaining thiosemicarbazone complex with potent biological activity. The structure of the MTSC ligand and its metal complexes was fully characterized by elemental analysis, spectroscopic techniques (NMR, FTIR, UV-Vis), molar conductivity, thermogravimetric analysis (TG), and thermal differential analysis (DrTGA). The spectral and analytical data revealed that the obtained thiosemicarbazone-metal complexes have octahedral geometry around the metal center, except for the Zn2+-thiosemicarbazone complexes, which showed a tetrahedral geometry. The antibacterial and antifungal activities of the MTSC ligand and its (Co2+, Ni2+, Cu2+, and Zn2+) metal complexes were also investigated. Interestingly, the antibacterial activity of MTSC- metal complexes against examined bacteria was higher than that of the MTSC alone, which indicates that metal complexation improved the antibacterial activity of the parent ligand. Among different metal complexes, the MTSC- mono- and binuclear Cu2+ complexes showed significant antibacterial activity against Bacillus subtilis and Proteus vulgaris, better than that of the standard gentamycin drug. The in silico molecular docking study has revealed that the MTSC ligand could be a potential inhibitor for the oxidoreductase protein.

EUROPIUM OXALATE ION ASSOCIATION IN WATER

1966 ◽  
Vol 44 (24) ◽  
pp. 3057-3062 ◽  
Author(s):  
P. G. Manning
Keyword(s):  
Acetic Acid ◽  
Ionic Strength ◽  
Stability Constant ◽  
Stability Constants ◽  
Aqueous Phase ◽  
Sodium Acetate ◽  
Ion Association ◽  
Sodium Oxalate ◽  
Aqueous Sodium ◽  
Oxalate Ion

The partitioning of radiotracer 152/151Eu between aqueous sodium oxalate (Na2L) solutions and toluene solutions of thenoyltrifluoroacetone (HTTA) has been studied as a function of the oxalate concentration. The pH of the aqueous phase was controlled by means of sodium acetate – acetic acid mixtures and the ionic strength (I) by NaCl or NaClO4.At low ionic strengths (~0.05) and [L] ~10−4 M EuL+ formed, but at I = 0.95 and [L] ~10−3 M EuL2− also formed. Stability constants for the 1:1 and 1:2 (metal:ligand) complexes are reported.The magnitudes of the stepwise stability constant ratios are discussed.

N-ACYL SUBSTITUTED PHENYLHYDROXYLAMINES: THE EFFECT OF RADICAL CHANGE ON ANALYTICAL BEHAVIOR

1957 ◽  
Vol 35 (12) ◽  
pp. 1454-1460 ◽  
Author(s):  
C. A. Armour ◽  
D. E. Ryan
Keyword(s):  
Aqueous Solution ◽  
Stability Constant ◽  
Radical Change ◽  
Spectrophotometric Study ◽  
Iron Complex ◽  
Membered Ring ◽  
Analytical Reagents ◽  
Colorimetric Reagent ◽  
Analytical Behavior

The synthesis of a number of N-acyl substituted phenylhydroxylamines is outlined and the effect of the change in the nature of the acyl group on their usefulness as analytical reagents is described. Stability constant measurements in alcohol show an increase in stability with an increase in basicity of reagent regardless of the nature of the attached group; their ability to precipitate complexes from aqueous solution, however, is markedly dependent on the nature of the attached radical. A spectrophotometric study shows the existence of both a 1:1 and a 1:3 iron complex. A more sensitive colorimetric reagent results with an unsaturated five-membered ring as the attached grouping.

scholarly journals Calcium Binding by Particle-Free Supernatants of Homogenates of Skeletal Muscle

1965 ◽  
Vol 49 (1) ◽  
pp. 131-149 ◽  
Author(s):  
F. Norman Briggs ◽  
Martin Fleishman
Keyword(s):  
Skeletal Muscle ◽  
Molecular Weight ◽  
Stability Constant ◽  
Calcium Binding ◽  
Weight Fraction ◽  
Preliminary Evidence ◽  
High Molecular Weight Fraction ◽  
Total Calcium ◽  
Chelex 100 ◽  
Binding Substance

A high molecular weight fraction of a soluble Marsh muscle-relaxing preparation has been shown to contain a calcium-complexing substance. By examining the nature of the competition between this fraction and chelex-100 for calcium at various total calcium concentrations it has been possible to calculate the concentration and calcium stability constant of this calcium-complexing substance. Taking into account dilutions which occur during the preparation of fractions containing this substance its concentration may be estimated at about 2·10-4 in muscle and its calcium stability constant was found to be about 1.5·105 M-1. Preliminary evidence suggests that the calcium-binding substance is a protein.

Tricarbonyl 99mTc(i) and Re(i)–thiosemicarbazone complexes: synthesis, characterization and biological evaluation for targeting bacterial infection

2015 ◽  
Vol 44 (36) ◽  
pp. 16136-16148 ◽  
Author(s):  
Dipak Kumar Nayak ◽  
Rinku Baishya ◽  
Ramalingam Natarajan ◽  
Tuhinadri Sen ◽  
Mita Chatterjee Debnath
Keyword(s):  
Bacterial Infection ◽  
Biological Evaluation ◽  
Thiosemicarbazone Complexes

Tricarbonyl 99mTc(1) and Re(1) thiosemicarbazone complexes have been synthesised, characterised crystallographically and subjected to biological evaluation in rats intramuscularly infected with S. aureus.

QSPR MODELLING OF STABILITY CONSTANTS OF METAL-THIOSEMICARBAZONE COMPLEXES USING MULTIVARIATE REGRESSION METHODS AND ARTIFICIAL NEURAL NETWORK

2021 ◽  
Vol 36 (06) ◽  
Author(s):  
NGUYEN MINH QUANG ◽  
TRAN NGUYEN MINH AN ◽  
NGUYEN HOANG MINH ◽  
TRAN XUAN MAU ◽  
PHAM VAN TAT
Keyword(s):  
Neural Network ◽  
Artificial Neural Network ◽  
Stability Constants ◽  
Partial Least Square ◽  
Least Square ◽  
Partial Least Square Regression ◽  
Structure Property ◽  
Least Square Regression ◽  
Thiosemicarbazone Complexes ◽  
Artificial Neural

In this study, the stability constants of metal-thiosemicarbazone complexes, logb11 were determined by using the quantitative structure property relationship (QSPR) models. The molecular descriptors, physicochemical and quantum descriptors of complexes were generated from molecular geometric structure and semi-empirical quantum calculation PM7 and PM7/sparkle. The QSPR models were built by using the ordinary least square regression (QSPROLS), partial least square regression (QSPRPLS), primary component regression (QSPRPCR) and artificial neural network (QSPRANN). The best linear model QSPROLS (with k of 9) involves descriptors C5, xp9, electric energy, cosmo volume, N4, SsssN, cosmo area, xp10 and core-core repulsion. The QSPRPLS, QSPR PCR and QSPRANN models were developed basing on 9 varibles of the QSPROLS model. The quality of the QSPR models were validated by the statistical values; The QSPROLS: R2train = 0.944, Q2LOO = 0.903 and MSE = 1.035; The QSPRPLS: R2train = 0.929, R2CV = 0.938 and MSE = 1.115; The QSPRPCR: R2train = 0.934, R2CV = 0.9485 and MSE = 1.147. The neural network model QSPRANN with architecture I(9)-HL(12)-O(1) was presented also with the statistical values: R2train = 0.9723, and R2CV = 0.9731. The QSPR models also were evaluated externally and got good performance results with those from the experimental literature.

Determination of the Stability Constant of the Calcium Dioxalate Complex

Urolithiasis ◽  
1981 ◽  
pp. 447-451
Author(s):  
John R. Burns ◽  
Birdwell Finlayson ◽  
Arthur Smith
Keyword(s):  
Stability Constant ◽  
The Stability
Sign in / Sign up

Export Citation Format

Share Document