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.

该奖项得到了主要的研究工具和化学研究工具计划的支持。维拉诺瓦大学（Villanova University）正在购买配备液态色谱仪的三重四极飞机质谱仪（Triple Q-TOF-MS），以支持Anthony Lagalante教授，Kevin Minbiole，Daniel Kraut，Daniel Kraut，Jacob Elmer和Aimee Eggler和其他同事。通常，质谱法（MS）是用于识别和表征复杂样品中少量化学物种的关键分析方法之一。具有液相色谱仪的仪器可以在到达质谱仪之前将其分离化合物的混合物。在四极质量光谱仪中，有四个平行于彼此的圆柱杆，它们可以用作质量分析仪（仪器的组成部分，负责根据其质量到电荷比（M/z）选择样品离子）。基于其轨迹在适用于杆上的振荡电场中的轨迹的稳定性，将离子分离为四极杆。在该仪器中，该能力与飞行时间组件（TOF）耦合，在该组件（TOF）中，离子的质量与电荷比通过离子通过已知强度的电场加速的方式来确定。离子的速度取决于质量与电荷比（相同电荷的较重离子达到较低的速度）。测量离子在已知距离处到达检测器所需的时间。这次取决于离子的速度，因此是其质量与电荷比的度量。从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地区的研究基础设施。该乐器通过让多样化的学生使用这种现代分析技术来扩大参与。它还与附近的主要是本科机构和历史悠久的黑人学院和大学合作。质谱仪的奖励旨在增强各级研究和教育。它特别影响了用于艺术保存和身份验证的油漆色素分析方法的发展，以及测试全身性杀虫剂咪二藻醇及其代谢物在铁杉羊毛羊毛藻类害虫上的有效性以及这些化合物对天然授粉剂的影响。该仪器还用于理解蛋白质降解的过程，并鉴定蛋白酶体展开蛋白质能力的分子决定因素，并通过抑制或围绕宿主细胞防御能力来阐明宿主细胞对基因疗法的反应并改善转基因表达。此外，它使worm血红蛋白的发展有益于可能的血红蛋白，并从天然产物中鉴定出与药物相关的有机小分子的鉴定。质谱仪还用于表征被称为NRF2/的转录激活因子的机械和时间过程（一种与抗氧化剂响应元件结合并协同激活一系列毒素/防御基因的转录因子），该细胞可以通过氧化压力诱导的促进奖励，以反映NSF的宣传，并以此为基础。优点和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.

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.

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.

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.