ArticleACS omega2022
Design of Experiments, Chemometrics, and Raman Spectroscopy for the Quantification of Hydroxylammonium, Nitrate, and Nitric Acid.
Article in ACS omega, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
11 citing papers in PubMed.
- Article
- Remote Americium Detection Using an Optical Sensor: A D-Optimal Strategy for Efficient PLS-Based Modeling.Sensors (Basel, Switzerland) · 2025Article
- Real-time monitoring of selective laser sintering 3D printing process for lamivudine content quantification in the printlets: a modern solution to a modern problem.International journal of pharmaceutics · 2025Article
- Online Monitoring of Catalytic Processes by Fiber-Enhanced Raman Spectroscopy.Sensors (Basel, Switzerland) · 2024Article
- Automated Calibration for Rapid Optical Spectroscopy Sensor Development for Online Monitoring.ACS sensors · 2024Article
- Insights into Tetravalent Np Speciation in HNOACS omega · 2024Article
- Sustainable Electrosynthesis of Cyclohexanone Oxime through Nitrate Reduction on a Zn-Cu Alloy Catalyst.ACS catalysis · 2024Article
- Illuminating the Tiny World: A Navigation Guide for Proper Raman Studies on Microorganisms.Molecules (Basel, Switzerland) · 2024Review
- Detection of Adulterated Oregano Samples Using Untargeted Headspace-Gas Chromatography-Ion Mobility Spectrometry Analysis.Foods (Basel, Switzerland) · 2024Article
- Partial Least Squares, Experimental Design, and Near-Infrared Spectrophotometry for the Remote Quantification of Nitric Acid Concentration and Temperature.Molecules (Basel, Switzerland) · 2023Article
- Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Selecting optimal combinations of preprocessing methods is a major holdup for chemometric analysis. The analyst decides which method(s) to apply to the data, frequently by highly subjective or inefficient means, such as user experience or trial and error. Here, we present a user-friendly method using optimal experimental designs for selecting preprocessing transformations. We applied this strategy to optimize partial least square regression (PLSR) analysis of Stokes Raman spectra to quantify hydroxylammonium (0-0.5 M), nitric acid (0-1 M), and total nitrate (0-1.5 M) concentrations. The best PLSR model chosen by a determinant (D)-optimal design comprising 26 samples (i.e., combinations of preprocessing methods) was compared with PLSR models built with no preprocessing, a user-selected preprocessing method (i.e., trial and error), and a user-defined design strategy (576 samples). The D-optimal selection strategy improved PLSR prediction performance by more than 50% compared with the raw data and reduced the number of combinations by more than 95.5%.
Identifiers
What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.