<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>17</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">He, Shuyu</style></author><author><style face="normal" font="default" size="100%">Ying Liu</style></author><author><style face="normal" font="default" size="100%">Song, Mengdi</style></author><author><style face="normal" font="default" size="100%">Xin Li</style></author><author><style face="normal" font="default" size="100%">Shengrong Lou</style></author><author><style face="normal" font="default" size="100%">Ye, Chenshuo</style></author><author><style face="normal" font="default" size="100%">Liu, YingJun</style></author><author><style face="normal" font="default" size="100%">Yi Liu</style></author><author><style face="normal" font="default" size="100%">Ye, Jiarong</style></author><author><style face="normal" font="default" size="100%">Sihua Lu</style></author><author><style face="normal" font="default" size="100%">Zhou, Wenxin</style></author><author><style face="normal" font="default" size="100%">Xinghua Qiu</style></author><author><style face="normal" font="default" size="100%">Zhu, Tong</style></author><author><style face="normal" font="default" size="100%">Limin Zeng</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Empirical Approach to Quantifying Sensitivity in Different Chemical Ionization Techniques for Organonitrates and Nitroaromatics Constrained by Ion–Molecule Reaction and Transmission Efficiency</style></title><secondary-title><style face="normal" font="default" size="100%">Analytical Chemistry</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">2024</style></year><pub-dates><date><style  face="normal" font="default" size="100%">oct</style></date></pub-dates></dates><urls><web-urls><url><style face="normal" font="default" size="100%">https://doi.org/10.1021/acs.analchem.4c03751</style></url></web-urls></urls><number><style face="normal" font="default" size="100%">42</style></number><publisher><style face="normal" font="default" size="100%">American Chemical Society</style></publisher><volume><style face="normal" font="default" size="100%">96</style></volume><pages><style face="normal" font="default" size="100%">16882–16890</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">Accurate identification and quantification of nitro-containing species are of great significance to understanding their chemical behaviors in the atmosphere. By optimizing the operational conditions of the H3O+ and NO+ ionization modes in a proton-transfer-reaction time-of-flight mass spectrometer (PTR-TOF-MS) and evaluating the performance of an iodide chemical ionization mass spectrometer (I– CIMS), this study leveraged the individual advantages of each ionization mode to effectively detect a diverse array of nitroaromatics and organonitrates (ONs). The H3O+ ionization mode largely fulfilled the criteria for real-time monitoring of gas-phase alkyl-, aryl-, and hydroxy-nitrates, and nitrophenols, albeit its reduced sensitivity toward ONs due to extensive fragmentation. In contrast, the NO+ mode demonstrated enhanced sensitivity for ONs with less fragmentation than the H3O+ mode. The I– CIMS featured distinguished sensitivity toward oxidized compounds containing polar functional groups, particularly increasing with the incorporation of hydroxyl, carboxyl, or nitrate groups. Further, we developed a calibration-based semiquantitative framework to enhance the accuracy of sensitivity estimation, constrained by ion–molecule reaction, transmission efficiency, along with possible decomposition of ion-clusters, with uncertainties ranging from 21% to 41% for H3O+ and 21–43% for NO+. Given considerable discrepancies (up to 1 order of magnitude) between measured and predicted sensitivity in I– CIMS using previously reported log–linear fitting, a declustering voltage (dV50)-based categorization approach was introduced, leading to a 5-fold improvement in measurement accuracy and an overall uncertainty of I– CIMS in quantifying nitro-containing species varying from 27% to 60%.</style></abstract></record></records></xml>