Isolating trans-Anethole from Anise Seeds and Elucidating Its Structure: A Project Utilizing One- and Two-Dimensional NMR Spectrometry

1-Dimensional Selective Nuclear Overhauser Effect NMR Spectroscopy To Characterize Products from a Two-Step Green Chemistry Synthesis

“…Selective irradiation of the other methyl group at δ 2.3 ppm (Figure 3C) reveals the strongest NOEs to the singlet at δ 7.44 ppm and the doublet at δ 7. 16 The following synopsis of results was determined by reviewing the lab reports of 218 students.…”

“…Regioselectivity in aromatic substitutions is typically explored with aromatic substrates that afford unambiguous determination of the regioselectivity of the products by 1 H/ 13 C NMR spectra or the students are provided the identity of the various isomers either by GC or IR spectroscopy. − The experiment introduced here illustrates the utility of the 1 H 1-D selective NOE experiment for solving structural ambiguities more akin to real life synthetic problems facing today’s chemists. Although there are several two-dimensional (2-D) NOE experiments in the literature for advanced organic/bioorganic structure determination − and also a 1-D NOE difference experiment, no examples of 1-D selective NOE experiments were found in this Journal . The two examples of 1-D selective NOE experiments found in other educational literature , involve characterization of more complicated natural products and their derivatives, one designed for upper-division students, and neither involves determining regioselectivity or application to an electrophilic aromatic substitution reaction.…”

Simultaneous and Rapid Removal of Safranin O (SO) and Basic Blue 41 (BB) Dyes by Sulfonated Polyacrylamide (PAA-SO3H) As Super-Adsorbent, Isotherms, and Kinetics Studies

“…The experimental error and the reproducibility of the data were determined using the center points. Using the second order polynomial model, the mathematical relationships between the three independent variables can be estimated (LeFevre 2000;Hossain et al 2012):…”

The fundamentals behind solving for unknown molecular structures using computer‐assisted structure elucidation: a free software package at the undergraduate and graduate levels

“…The design of molecular structural elucidation exercises that teach and challenge students has been a major focus in chemical education for over 40 years and continue to evolve to include more complex structures and spectroscopic techniques . As the problems for modern day chemists/analysts become more challenging with respect to resources, time, and structure complexity, it is imperative that more chemists become trained with the latest tools available to them in order to work more efficiently.…”

“…[6] The design of molecular structural elucidation exercises that teach and challenge students has been a major focus in chemical education for over 40 years [7,8] and continue to evolve to include more complex structures and spectroscopic techniques. [9,10] As the problems for modern day chemists/analysts become more challenging with respect to resources, time, and structure complexity, it is imperative that more chemists become trained with the latest tools available to them in order to work more efficiently. Although the concept of introducing computer-assisted analysis for the interpretation of NMR spectra is not new, [11] there have been many improvements in the resources made available to both students and instructors including computer modelling software for chemical shift calculations based on molecular electrostatic potential, [12] neural network and Hierarchical Organization of Spherical Environments (HOSE) code, [13] quantum mechanics, [14] as well as easy to use internet software and databases.…”