MRI: Acquisition of a Liquid Chromatography Tandem Mass Spectrometer to Enhance Undergraduate Research and Teaching at a Primarily Undergraduate Institution

MRI：购买液相色谱串联质谱仪以加强本科院校的本科研究和教学

• 批准号: 2018399
• 负责人: Anthony Lagalante
• 金额: $ 37.76万
• 依托单位: Villanova University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2020
• 资助国家: 美国
• 起止时间: 2020-09-01 至 2023-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2018399&HistoricalAwards=false
• 关键词: MRI; Acquisition; Liquid; Chromatography; Tandem

This award is supported by the Major Research Instrumentation and the Chemistry Research Instrumentation programs. Villanova University is acquiring a triple quadrupole time-of-flight mass spectrometer (triple Q-TOF-MS) equipped with a liquid chromatograph to support Professor Anthony Lagalante, Kevin Minbiole, Daniel Kraut, Jacob Elmer and Aimee Eggler and other colleagues. In general, mass spectrometry (MS) is one of the key analytical methods used to identify and characterize small quantities of chemical species in complex samples. An instrument with a liquid chromatograph can separate mixtures of compounds before they reach the mass spectrometer. In a quadrupole mass spectrometer, there are four cylindrical rods parallel to each other, that serve as the mass analyzer (the component of the instrument responsible for selecting sample ions based on their mass-to-charge ratio (m/z)). Ions are separated in a quadrupole based on the stability of their trajectories in oscillating electric fields that are applied to the rods. In this instrument, this capability is coupled to a time-of-flight component (TOF) in which the mass-to-charge ratio of an ion is determined by the way in which ions are accelerated by an electric field of known strength. The velocity of the ion depends on the mass-to-charge ratio (heavier ions of the same charge reach lower speeds). The time that the ions take to reach a detector at a known distance is measured. This time depends on the velocity of the ion, and therefore is a measure of its mass-to-charge ratio. From this ratio and known experimental parameters, the ion can be characterized. The acquisition strengthens the research infrastructure at the university and regional area. The instrument broadens participation by involving diverse students with this modern analytical technique. It is also used in partnerships with nearby primarily undergraduate institutions and a Historically Black College and University.The award of the mass spectrometer is aimed at enhancing research and education at all levels. It especially impacts the development of methods of paint pigment analysis for art conservation and authentication and for testing the effectiveness of systemic insecticide imidacloprid and its metabolites on the hemlock woolly adelgid insect pest and the impact of these compounds on native pollinators. The instrumentation is also used for understanding the process of protein degradation and identifying molecular determinants of the proteasome's ability to unfold proteins, and for elucidating host cell response to gene therapy and improving transgene expression by inhibiting or circumventing host cell defenses. In addition, it benefits the development of earthworm hemoglobin as a possible blood substitute and the identification of medicinally-relevant organic small molecules from natural products. The mass spectrometer is also used to characterize the mechanistic and temporal process of the transcriptional activation factor known as Nrf2/ARE (a transcription factor that binds to antioxidant response element and coordinately activates a battery of detoxifying/defensive genes) which protects cells from oxidative stress-induced cell death.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

该奖项由主要研究仪器和化学研究仪器计划支持。维拉诺瓦大学正在购买一台配备液相色谱仪的三重四极杆飞行时间质谱仪（三重Q-TOF-MS），以支持Anthony Lagalante教授，Kevin Minbiole，丹尼尔Kraut，Jacob Elmer和Aimee Eggler以及其他同事。一般来说，质谱（MS）是用于识别和表征复杂样品中少量化学物质的关键分析方法之一。带有液相色谱仪的仪器可以在化合物到达质谱仪之前将其分离。在四极质谱仪中，有四个相互平行的圆柱形杆，用作质量分析器（仪器的组件，负责根据质荷比（m/z）选择样品离子）。离子在四极杆中分离是基于它们在施加到杆上的振荡电场中的轨迹的稳定性。在该仪器中，这种能力与飞行时间组件（TOF）相耦合，其中离子的质荷比通过已知强度的电场加速离子的方式来确定。离子的速度取决于质荷比（相同电荷的较重离子达到较低的速度）。测量离子到达已知距离处的检测器所花费的时间。这个时间取决于离子的速度，因此是其质荷比的量度。根据该比率和已知的实验参数，可以表征离子。此次收购加强了大学和地区的研究基础设施。该仪器通过让不同的学生参与这种现代分析技术来扩大参与。它还与附近的主要本科院校和一所历史悠久的黑人学院和大学合作使用。授予质谱仪的目的是加强各级的研究和教育。它特别影响了油漆颜料分析方法的发展，用于艺术品保护和鉴定，以及用于测试系统性杀虫剂吡虫啉及其代谢物对铁杉绵球蚜害虫的有效性，以及这些化合物对本地传粉者的影响。该仪器还用于理解蛋白质降解的过程和鉴定蛋白酶体展开蛋白质的能力的分子决定因素，以及用于阐明宿主细胞对基因治疗的反应和通过抑制或规避宿主细胞防御来改善转基因表达。此外，它还有助于开发血红蛋白作为可能的血液替代品，并从天然产物中鉴定出与医学相关的有机小分子。质谱仪还用于表征称为Nrf 2/ARE的转录激活因子的机制和时间过程（一种转录因子，与抗氧化反应元件结合，协同激活一系列解毒/防御基因），保护细胞免受氧化应激的影响。该奖项反映了NSF的法定使命，并通过使用基金会的智力价值进行评估，更广泛的影响审查标准。

项目成果

Novel conversion of 2,3-Diaryl-2,3-dihydro-1,3-thiaza-4-ones to dimeric ring-opened thioacetals

• DOI: 10.1016/j.rechem.2023.101062
• 发表时间: 2023-08-08
• 期刊: RESULTS IN CHEMISTRY
• 影响因子: 2.3
• 作者: Silverberg，Lee J.;Mal，Tapas;Zeigler，Emily L.
• 通讯作者: Zeigler，Emily L.

2,3-Diphenyl-2,3-dihydro-4H-1,3-thiaza-4-one heterocycles inhibit growth and block completion of cytokinesis in kinetoplastid parasites

• DOI: 10.1016/j.molbiopara.2021.111396
• 发表时间: 2021-07-26
• 期刊: MOLECULAR AND BIOCHEMICAL PARASITOLOGY
• 影响因子: 1.5
• 作者: Malfara, Madeline F.;Silverberg, Lee J.;Povelones, Megan L.
• 通讯作者: Povelones, Megan L.

Synthesis and Characterization of Functionalized Amino Dihydropyrimidines Toward the Analysis of their Antibacterial Structure-Activity Relationships and Mechanism of Action.

• DOI: 10.1021/acsomega.2c05071
• 发表时间: 2022-10-25
• 期刊: ACS OMEGA
• 影响因子: 4.1
• 作者: Boyer, Zachary W.;Kessler, Hannah;Brosman, Hannah;Ruud, Kirsten J.;Falkowski, Alan F.;Viollet, Constance;Bourne, Christina R.;O'Reilly, Matthew C.
• 通讯作者: O'Reilly, Matthew C.

Double BAC and Triple BAC: A Systematic Analysis of the Disinfectant Properties of Multicationic Derivatives of Benzalkonium Chloride (BAC)

双 BAC 和三 BAC：苯扎氯铵 (BAC) 多阳离子衍生物消毒性能的系统分析

• DOI: 10.1002/cmdc.202300018
• 发表时间: 2023
• 期刊: ChemMedChem
• 影响因子: 3.4
• 作者: Toles, Zachary E. A.;Wu, Alice;Sanchez, Christian A.;Michaud, Marina E.;Thierer, Laura M.;Wuest, William M.;Minbiole, Kevin P. C.
• 通讯作者: Minbiole, Kevin P. C.