We describe how parametric spectral models for analytical applications can be generated by an automatic curve-fitting algorithm. The algorithm does not require initial choices of parameters or other human intervention, in contrast to established approaches that rely on deconvolution or derivative spectroscopy. This algorithm has been applied for quantitative analysis but can potentially be used in other applications that are based on parametric representations of peak-shaped models or could benefit from using such models, such as calibration transfer.
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http://dx.doi.org/10.1366/0003702041655421 | DOI Listing |
Chem Sci
July 2024
Beijing National Laboratory for Condensed-Matter Physics and Institute of Physics, Chinese Academy of Sciences Beijing 100190 China
The discovery of negative differential conductance (NDC) in a single molecule and mechanism controlling this phenomenon are important for molecular electronics. We investigated the electronic properties of a typical radical molecule 3-carbamoyl-2,2,5,5-tetramethyl-3-pyrrolin-1-yloxy (CTPO) on an Au(111) surface using low-temperature scanning tunneling microscopy (STM) and inelastic electron tunneling spectroscopy. Large NDC was observed in single CTPO molecules at the boundary of the crystal monolayer.
View Article and Find Full Text PDFEnviron Toxicol Chem
August 2024
Institute for Risk Assessment Sciences, Utrecht University, Utrecht, The Netherlands.
Sediment toxicity testing with very hydrophobic organic chemicals (VHOCs) is challenging because of the chemicals' low aqueous solubilities and slow kinetics. The present study presents the results of experiments investigating whether the standard exposure duration of 28 days with benthic invertebrates is sufficient for VHOCs; above which concentrations in sediment VHOCs are present as "free phase," that is, crystals or non-aqueous-phase liquids (NAPLs); and whether it is possible to discriminate between actual VHOC toxicity and physical effects caused by NAPLs through fouling of the test organisms. The results suggest that the standard sediment toxicity test duration is sufficient for obtaining steady-state VHOC concentrations in Hyalella azteca and Lumbriculus variegatus, provided that spiking and equilibration are performed properly (i.
View Article and Find Full Text PDFAnal Chem
December 2020
Key Laboratory of Analytical Chemistry for Life Science of Shaanxi Province, School of Chemistry and Chemical Engineering, Shaanxi Normal University, Xi'an, 710062, P.R. China.
This work reports a gold nanoelectrode ensembles (Au-NEE) platform taken as a disposable electrogenerated chemiluminescence (ECL) platform with immunomagnetic microbeads for ECL immunoassays for the first time. The peak-shaped voltammograms were obtained at the Au-NEE, attributed to the total diffusional overlap. The ECL intensity at Au-NEE was 12.
View Article and Find Full Text PDFAnal Chem
August 2015
Department of Inorganic and Analytical Chemistry, University of Geneva, Quai Ernest-Ansermet 30, CH-1211 Geneva, Switzerland.
A concept is introduced that allows one to detect the activity of multiple ions simultaneously and selectively with a single ion-selective membrane. This is demonstrated with ∼300 nm thin plasticized PVC membranes containing up to two ionophores in addition to a lipophilic cation-exchanger, overlaid on an electropolymerized poly-3-octylthiophene (POT) film as the electron to ion transducer. The ion-selective membranes are formulated under ionophore depleted conditions (avoiding excess of ionophore over ion-exchanger), which is purposely different from common practice with ion-selective electrodes.
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