ArticleMolecules (Basel, Switzerland)2019
Spectra-Structure Correlations in Isotopomers of Ethanol (CX
Article in Molecules (Basel, Switzerland), 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
What it found
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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.
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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.
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Who cites it
9 citing papers in PubMed.
- A Theoretical Investigation into the Oligomer Structure of Carbon Dots Formed from Small-Molecule Precursors.Molecules (Basel, Switzerland) · 2024Article
- Infrared spectroscopic characterization of sesamin, a dietary lignan natural product.PloS one · 2024Article
- Heteroatom (B, N, P, and S)-Doped Cyclodextrin as a Hydroxyurea (HU) Drug Nanocarrier: A Computational Approach.ACS omega · 2023Article
- Miniaturized NIR Spectroscopy in Food Analysis and Quality Control: Promises, Challenges, and Perspectives.Foods (Basel, Switzerland) · 2022Review
- Spectra-structure correlations in NIR region of polymers from quantum chemical calculations. The cases of aromatic ring, C=O, C≡N and C-Cl functionalities.Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy · 2021Article
- Anharmonicity and Spectra-Structure Correlations in MIR and NIR Spectra of Crystalline Menadione (Vitamin KMolecules (Basel, Switzerland) · 2021Article
- Anharmonic DFT Study of Near-Infrared Spectra of Caffeine: Vibrational Analysis of the Second Overtones and Ternary Combinations.Molecules (Basel, Switzerland) · 2021Article
- Advances in Near-Infrared Spectroscopy and Related Computational Methods.Molecules (Basel, Switzerland) · 2019Article
- Simulated NIR spectra as sensitive markers of the structure and interactions in nucleobases.Scientific reports · 2019Article
Corrections and comments
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Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The effect of isotopic substitution on near-infrared (NIR) spectra has not been studied in detail. With an exception of few major bands, it is difficult to follow the spectral changes due to complexity of NIR spectra. Recent progress in anharmonic quantum mechanical calculations allows for accurate reconstruction of NIR spectra. Taking this opportunity, we carried out a systematic study of NIR spectra of six isotopomers of ethanol (CX
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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.