The Effect of Alternating Fragmentor Voltages of LC-MS in Full Scan Mode on the Analytical Figures of Merit Achieved by Chemometrics: A Comparative Study

2021 ◽  
Author(s):  
Xiao-Dong Sun ◽  
Min Zhang ◽  
Peng-Jiao Wang ◽  
Jun-Hua Chen ◽  
Mei Zhao ◽  
...  
Keyword(s):  
Comparative Study ◽  
Figures Of Merit ◽  
Full Scan ◽  
Analytical Figures Of Merit

scholarly journals Structural analysis and multipole modelling of quercetin monohydrate – a quantitative and comparative study

2010 ◽  
Vol 67 (1) ◽  
pp. 63-78 ◽  
Author(s):  
Sławomir Domagała ◽  
Parthapratim Munshi ◽  
Maqsood Ahmed ◽  
Benoît Guillot ◽  
Christian Jelsch
Keyword(s):  
Comparative Study ◽  
Charge Density ◽  
Topological Analysis ◽  
Atomic Displacement ◽  
X Ray Diffraction ◽  
Experimental Database ◽  
Figures Of Merit ◽  
Atom Model ◽  
Atomic Displacement Parameters ◽  
Model Approach

The multipolar atom model, constructed by transferring the charge-density parameters from an experimental or theoretical database, is considered to be an easy replacement of the widely used independent atom model. The present study on a new crystal structure of quercetin monohydrate [2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one monohydrate], a plant flavonoid, determined by X-ray diffraction, demonstrates that the transferred multipolar atom model approach greatly improves several factors: the accuracy of atomic positions and the magnitudes of atomic displacement parameters, the residual electron densities and the crystallographic figures of merit. The charge-density features, topological analysis and electrostatic interaction energies obtained from the multipole models based on experimental database transfer and periodic quantum mechanical calculations are found to compare well. This quantitative and comparative study shows that in the absence of high-resolution diffraction data, the database transfer approach can be applied to the multipolar electron density features very accurately.

Room-Temperature Luminescence of a Variety of Compounds on 1% α-Cyclodextrin/NaCl Mixture

1989 ◽  
Vol 43 (5) ◽  
pp. 810-812 ◽  
Author(s):  
Marsha D. Richmond ◽  
Robert J. Hurtubise
Keyword(s):  
Solid Surface ◽  
Room Temperature ◽  
Lower Cost ◽  
Model Compounds ◽  
Figures Of Merit ◽  
Room Temperature Luminescence ◽  
Analytical Figures Of Merit

With the use of model compounds of widely different functionality, it was found that a 1% α-cyclodextrin/NaCl mixture could be used in place of an 80% α-cyclodextrin/NaCl mixture to obtain solid surface room-temperature fluorescence (RTF) and phosphorescence (RTP) data. Analytical figures of merit are reported for four compounds. The use of a smaller percentage of α-cyclodextrin results in lower cost; no loss of analytical integrity, compared with that for an 80% α-cyclodextrin/NaCl mixture; and easier handling of the α-cyclodextrin/NaCl mixtures.

scholarly journals DEVELOPMENT OF FLOW INJECTION METHOD FOR ONLINE DETERMINATION OF THIOCYANATE BASED ON OXIDATION BY PERMANGANATE

2010 ◽  
Vol 10 (2) ◽  
pp. 167-171 ◽  
Author(s):  
Hermin Sulistyarti ◽  
Spas D. Kolev ◽  
Stephanie Lim
Keyword(s):  
Detection Limit ◽  
Thyroid Gland ◽  
Flow Injection ◽  
Hydrogen Cyanide ◽  
Figures Of Merit ◽  
Sample Throughput ◽  
Teflon Membrane ◽  
Developing Method ◽  
Analytical Figures Of Merit

The importance of developing method for thiocyanate becomes obvious, because thiocyanate can inhibit iodine uptake of thyroid gland leading to mumps disease. In this work, thiocyanate is oxidized by permanganate in the acid donor stream to cyanide, which is directly converted to hydrogen cyanide. Then, hydrogen cyanide diffuses through a Teflon membrane into acceptor stream containing nickel(II) in ammoniacal buffer to form tetracyanonickelate(II) which is detected spectrophotometrically at 267 nm. Analytical figures of merit were linear up to 50 mg L-1 for thiocyanate, with RSD of 1.34%, and detection limit of 0.07 mg L-1, respectively. Interfering anions were eliminated under stoichiometric amount of permanganate and sample throughput was 20 h-1. The method was validated for determining thiocyanate samples from synthetic and gold process waters with satisfactory results.   Keywords: Thiocyanate, flow injection, permanganate, spectrophotometry

Analytical Figures of Merit for Multisensor Arrays

ACS Sensors ◽  
2020 ◽  
Vol 5 (2) ◽  
pp. 580-587 ◽  
Author(s):  
Hadi Parastar ◽  
Dmitry Kirsanov
Keyword(s):  
Figures Of Merit ◽  
Analytical Figures Of Merit
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