자료유형  

 학위논문

Control Number  

0016932842

International Standard Book Number  

9798379852702

Dewey Decimal Classification Number  

530

Main Entry-Personal Name  

Liu, Judy Kuan-Yu.

Publication, Distribution, etc. (Imprint  

[S.l.] : Purdue University., 2022

Publication, Distribution, etc. (Imprint  

Ann Arbor : ProQuest Dissertations & Theses, 2022

Physical Description  

1 online resource(130 p.)

General Note  

Source: Dissertations Abstracts International, Volume: 85-01, Section: B.

General Note  

Advisor: Kenttamaa, Hilkka L.

Dissertation Note  

Thesis (Ph.D.)--Purdue University, 2022.

Restrictions on Access Note  

This item must not be sold to any third party vendors.

Summary, Etc.  

요약Mass spectrometry (MS) is a powerful and versatile analytical tool that is extensively used for the identification and analysis of complex mixtures. The ability to couple MS to atmospheric pressure ionization techniques and high-performance liquid chromatography (HPLC) or gas chromatography (GC) provides a high degree of experimental flexibility. MS is based on the analysis of gas-phase ions. Gas-phase ions are manipulated within the mass spectrometer and separated for detection based on their mass-to-charge (m/z) ratio.One of the most commonly used techniques for complex mixture analysis is tandem mass spectrometry (MSn ). MSn involves the isolation of the desired ion and allowing it to undergo reactions, such as collision-activated dissociation (CAD) or ion-molecule reactions. Based on the generated product ions, structural information can be obtained for unknown analytes in complex mixtures. In addition, MSnmethods based on diagnostic gas-phase ion-molecule reactions have been demonstrated to provide a general and predictable tool to identify specific functional groups in unknown ionized analytes and to classify unknown analytes into different compound classes depending on their functionalities.The research described in this dissertation mainly focuses on the development of tandem mass spectrometric methods based on gas-phase ion-molecule reactions and/or CAD for the identification of the N-nitroso functionality, which is present in some potentially mutagenic drug impurities. Furthermore, the dissertation discusses combining machine learning and MSn experiments based on diagnostic ion-molecule reactions of 2-methoxypropene to predict reaction outcomes in a semiautomated fashion for protonated analytes containing specific functional groups. Lastly, chemical characterization and gas-phase reactivity of the boron-centered radical dianion [B12I11]2-•toward some organic molecules are discussed.

Subject Added Entry-Topical Term  

Boron.

Subject Added Entry-Topical Term  

Mass spectrometry.

Subject Added Entry-Topical Term  

Iodine.

Subject Added Entry-Topical Term  

Acids.

Subject Added Entry-Topical Term  

Reagents.

Subject Added Entry-Topical Term  

Free radicals.

Subject Added Entry-Topical Term  

Ions.

Subject Added Entry-Topical Term  

Carbon.

Subject Added Entry-Topical Term  

Binding sites.

Subject Added Entry-Topical Term  

Atmospheric pressure.

Subject Added Entry-Topical Term  

Decision making.

Subject Added Entry-Topical Term  

Protons.

Subject Added Entry-Topical Term  

Scientific imaging.

Subject Added Entry-Topical Term  

Energy.

Subject Added Entry-Topical Term  

Chromatography.

Subject Added Entry-Topical Term  

Decision trees.

Subject Added Entry-Topical Term  

Metabolites.

Subject Added Entry-Topical Term  

Analytical chemistry.

Subject Added Entry-Topical Term  

Atmospheric sciences.

Subject Added Entry-Topical Term  

Atomic physics.

Subject Added Entry-Topical Term  

Chemistry.

Subject Added Entry-Topical Term  

Physics.

Added Entry-Corporate Name  

Purdue University.

Host Item Entry  

Dissertations Abstracts International. 85-01B.

Host Item Entry  

Dissertation Abstract International

Electronic Location and Access  

로그인을 한후 보실 수 있는 자료입니다.

Control Number  

joongbu:644014