NMR-Challenge.com: Exploring the Most Common Mistakes in NMR Assignments

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F24%3A00586218" target="_blank" >RIV/61388963:_____/24:00586218 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/00216208:11310/24:10484066

Výsledek na webu

<a href="https://doi.org/10.1021/acs.jchemed.4c00092" target="_blank" >https://doi.org/10.1021/acs.jchemed.4c00092</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1021/acs.jchemed.4c00092" target="_blank" >10.1021/acs.jchemed.4c00092</a>

Jazyk výsledku

angličtina

Název v původním jazyce

NMR-Challenge.com: Exploring the Most Common Mistakes in NMR Assignments

Popis výsledku v původním jazyce

NMR spectroscopy is the most powerful tool for determining the structures of chemicals. It is applied in a broad range of scientific disciplines, including physics, structural biology, material science, medicine, and chemistry. Interpreting NMR spectra is part of the core skill set mainly of organic chemists. In 2022 we introduced the educative website NMR-Challenge.com presenting 200 spectral tasks of various difficulties. The website collected more than 428,000 submitted solutions over 20 months and thus provides the largest data set of responses to NMR assignments. By analyzing the structures submitted by users of the website, we identified patterns of the most common mistakes, which might be useful in devising new teaching strategies. Here, we present three case studies of the most common sources of spectral misinterpretation-recognition of the structures of isomeric esters, determination of substitution positions in disubstituted benzenes, and recognition of intramolecular hydrogen bonding in H-1 spectra-based on more than 28,000 answers collected at NMR-Challenge.com and recommend how to amend the frontal teaching about these problems.

Název v anglickém jazyce

NMR-Challenge.com: Exploring the Most Common Mistakes in NMR Assignments

Popis výsledku anglicky

NMR spectroscopy is the most powerful tool for determining the structures of chemicals. It is applied in a broad range of scientific disciplines, including physics, structural biology, material science, medicine, and chemistry. Interpreting NMR spectra is part of the core skill set mainly of organic chemists. In 2022 we introduced the educative website NMR-Challenge.com presenting 200 spectral tasks of various difficulties. The website collected more than 428,000 submitted solutions over 20 months and thus provides the largest data set of responses to NMR assignments. By analyzing the structures submitted by users of the website, we identified patterns of the most common mistakes, which might be useful in devising new teaching strategies. Here, we present three case studies of the most common sources of spectral misinterpretation-recognition of the structures of isomeric esters, determination of substitution positions in disubstituted benzenes, and recognition of intramolecular hydrogen bonding in H-1 spectra-based on more than 28,000 answers collected at NMR-Challenge.com and recommend how to amend the frontal teaching about these problems.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10401 - Organic chemistry

Projekt

<a href="/cs/project/GA22-15374S" target="_blank" >GA22-15374S: Reakce s přenosem protonu studované pomocí NMR spektroskopie a pokročilých kvantově chemických výpočtů</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2024

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Chemical Education

ISSN

0021-9584

e-ISSN

1938-1328

Svazek periodika

101

Číslo periodika v rámci svazku

6

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

9

Strana od-do

2561-2569

Kód UT WoS článku

001226109300001

EID výsledku v databázi Scopus

2-s2.0-85193502213