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(a) Super secondary electrospray ionization (Super-SESI) (1), high-resolution mass spectrometry (HRMS) (2) instrument. In this configuration, the volunteer exhales directly through a disposable mouthpiece (3), which is connected directly to a sample line (4). The total exhaled flow, volume, and CO 2 levels are monitored by the Exhalion system (5). (b) Programmable syringe pump (PSP) (1) used to generate an aerosol. The PSP is connected to the Super SESI−HRMS system for aerosol analysis. A nitrogen stream (2) is used to push the aerosol (3) through the Super SESI−HRMS detector. The vaping device is connected to the PSP system.
Source publication
Inhalation as a route for administering drugs and dietary supplements has garnered significant attention over the past decade. We performed real-time analyses of aerosols using secondary electrospray ionization (SESI) technology interfaced with high-resolution mass spectrometry (HRMS), primarily developed for exhaled breath analysis with the goal t...
Contexts in source publication
Context 1
... study protocol was reviewed and approved by the internal review committee of Philip Morris International. The Super SESI source (Fossil Ion Technology, Madrid, Spain) was interfaced with an Orbitrap Q Exactive HF MS system (Thermo Fisher Scientific, Waltham, MA, USA) ( Figure 1a). ...
Context 2
... vaping device is connected to the PSP system. syringe pump (PSP, Burghart Wedel, Germany) to a Super SESI instrument interfaced with a Q Exactive HF system (HRMS) to assess the aerosolization performance of the active pharmaceutical ingredient (API) (Figure 1b). Commercially available or in-house vaping devices were activated by inducing a volumetric flow of the generated aerosol (10−20 mL) within a 5-s duration (PSP setting parameters). ...
Context 3
... the vaping device that contained vitamin B12, the exhaled breath samples from a volunteer were analyzed in the SESI positive and negative full-scan acquisition modes by scanning the mass range of m/z 100−1400. However, selective extraction of singly or doubly charged ion species (m/z 1355.57468 and 678.29098, respectively) in the positive ionization mode did not confirm the presence of vitamin B12 ( Figure S1). ...
Context 4
... then generated an aerosol using a PSP pump ( Figure 1b), as explained in the Experimental section. Aerosols produced from the vitamin B12-supplemented vaping device were trapped on a glass fiber filter pad connected to an impinger by accumulation of 50 artificial exhalations. ...
Context 5
... widen the spectrum of the test compounds and ensure proper aerosolization of the compounds from a liquid solution, we developed a system that can deliver aerosols to the SESI interface as an alternative to human exhalation. For this purpose, we connected a PSP, which can operate under defined conditions of aerosol volume, aerosol generation duration, and interval between generated aerosols, to the SESI−HRMS interface (Figure 1b). This approach allowed real-time monitoring of the compounds present in the generated aerosols (artificial exhalation). ...
Citations
Aerosol particles found in the atmosphere affect the climate and worsen air quality. To mitigate these adverse impacts, aerosol particle formation and aerosol chemistry in the atmosphere need to be better mapped out and understood. Currently, mass spectrometry is the single most important analytical technique in atmospheric chemistry and is used to track and identify compounds and processes. Large amounts of data are collected in each measurement of current time‐of‐flight and orbitrap mass spectrometers using modern rapid data acquisition practices. However, compound identification remains a major bottleneck during data analysis due to lacking reference libraries and analysis tools. Data‐driven compound identification approaches could alleviate the problem, yet remain rare to non‐existent in atmospheric science. In this perspective, the authors review the current state of data‐driven compound identification with mass spectrometry in atmospheric science and discuss current challenges and possible future steps toward a digital era for atmospheric mass spectrometry.
Ion suppression is a known matrix effect in electrospray ionization (ESI), ambient pressure chemical ionization (APCI), and desorption electrospray ionization (DESI), but its characterization in secondary electrospray ionization (SESI) is lacking. A thorough understanding of this effect is crucial for quantitative applications of SESI, such as breath analysis. In this study, gas standards were generated by using an evaporation-based system to assess the susceptibility and suppression potential of acetone, deuterated acetone, deuterated acetic acid, and pyridine. Gas-phase effects were found to dominate ion suppression, with pyridine exhibiting the most significant suppressive effect, which is potentially linked to its gas-phase basicity. The impact of increased acetone levels on the volatiles from exhaled breath condensate was also examined. In humid conditions, a noticeable decrease in intensity of approximately 30% was observed for several features at an acetone concentration of 1 ppm. Considering that this concentration is expected for breath analysis, it becomes crucial to account for this effect when SESI is utilized to quantitatively determine specific compounds.
The development of ambient ionization mass spectrometry (AIMS) has transformed analytical science, providing the means of performing rapid analysis of samples in their native state, both in and out of the laboratory. The capacity to eliminate sample preparation and pre-MS separation techniques, leading to true real-time analysis, has led to AIMS naturally gaining a broad interest across the scientific community. Since the introduction of the first AIMS techniques in the mid-2000s, the field has exploded with dozens of novel ion sources, an array of intriguing applications, and an evident growing interest across diverse areas of study. As the field continues to surge forward each year, ambient ionization techniques are increasingly becoming commonplace in laboratories around the world. This annual review provides an overview of AIMS techniques and applications throughout 2022, with a specific focus on some of the major fields of research, including forensic science, disease diagnostics, pharmaceuticals and food sciences. New techniques and methods are introduced, demonstrating the unwavering drive of the analytical community to further advance this exciting field and push the boundaries of what analytical chemistry can achieve.
