Doctoral Dissertations


Lingyu Chi

Keywords and Phrases

CapPack; NMR calibration standards; NMR preference evaluation; NMR solvent suppression; NMR spectroscopy; Solid-state NMR thermometer


"NMR spectroscopy is a powerful analytical tool to obtain explicit information about molecular structures, conformations, dynamics, and functions. To extract the desired information most accurately, NMR reference standards and devices are needed for calibrating the spectrometer hardware, generating reference data for the NMR software, and testing the applicability of pulse sequences. In this dissertation, the CapPack (Capillary-tube Package) platform is introduced which provides well-defined external reference and calibration standards for liquid and solid-state NMR applications. CapPacks consist of one or more permanently sealed capillary tubes that, depending on the intended application, come arranged in different geometries such as side-by-side or clustered. They are used to generate performance measures for novel pulse sequences and spectrometer hardware, as well as to calibrate intensities and chemical shift axes of NMR spectra. The spectral information recorded with CapPack devices can also be used to provide independent, external measures for temperature, pH, pressure, or concentration of samples under investigation. When the information is collected in situ together with the sample, the CapPack's NMR signals are included into the recorded NMR spectra creating an inseparable spectral imprimatur. Three CapPack devices and representative sample applications are discussed in detail: (1) A Gradient CapPack device made from 10 side-by-side capillary tubes and used to determine the suppression profile, (2) a T1 CapPack device made from seven clustered capillary tubes and used to evaluate the T1 robustness of the EXCEPT-12 pulse sequence, and (3) a patented small, single-capillary CapPack thermometer for monitoring the temperature inside a MAS rotor"--Abstract, page iv.


Woelk, Klaus

Committee Member(s)

Ma, Yinfa
Nam, Paul Ki-souk
Reddy, Prakash
Ludlow, Douglas K.



Degree Name

Ph. D. in Chemistry


Missouri University of Science and Technology

Publication Date

Fall 2018

Journal article titles appearing in thesis/dissertation

  • Exponentially Converging Eradication Pulse Train (EXCEPT) for solvent signal suppression in investigations with variable T1 times
  • CapPack devices for the quantitative performance evaluation of NMR Spectrometers and pulse sequences
  • Solid state NMR spectroscopy in situ measuring devices and methods for calibration and determining one or more quantitative properties of a target sample


xiii, 137 pages

Note about bibliography

Includes bibliographic references.


© 2018 Lingyu Chi, All rights reserved.

Document Type

Dissertation - Open Access

File Type




Thesis Number

T 11416

Electronic OCLC #