یونش شیمیایی اسید آمینه والین در فشار اتمسفر با طیف سنج تحرک یونی مجهز به منبع یونش تخلیه کرونا
محورهای موضوعی : شیمی فیزیکمنیژه توضیحی 1 , نسیم نجفلو 2 , حامد بهرامی 3
1 - استادیار شیمی فیزیک، گروه شیمی، دانشکده علوم، دانشگاه زنجان، زنجان، ایران
2 - دانشجوی کارشناسی ارشد شیمی فیزیک، گروه شیمی، دانشکده علوم، دانشگاه زنجان، زنجان، ایران
3 - دانشیار شیمی فیزیک، گروه شیمی، دانشکده علوم، دانشگاه زنجان، زنجان، ایران
کلید واژه: اسید آمینه والین, طیف سنجی تحرک یونی, پروتونه شدن, تکه تکه شدن, یون های افزایشی.,
چکیده مقاله :
در این پژوهش، یونش شیمیایی اسید آمینه والین در فشار اتمسفری از راه برهم کنش آن با یونهای هیدرونیم و آمونیم با طیف سنج تحرک یونی مجهز به منبع یونش تخلیه کرونا بررسی شد. نتیجه ها نشان داد که در حضور هیدرونیم به عنوان یون واکنشگر و آمونیم به عنوان دوپه کننده، یونش اسید آمینه والین از راه پروتونه شدن آن و تکه تکه شدن مولکول پروتونه شده و نیز تشکیل یون های افزایشی صورت می گیرد. دست کم شش گونه یونی به عنوان فراورده شناسایی شد. در طیف تحرک یونی والین دو نشانک به ترتیب به والین پروتونه شده و دوپار متقارن با مرز پروتون نسبت داده شد. تعیین دو نشانک دیگر از راه مقایسه طیف تحرک یونی والین و ایزوبوتیل آمین صورت گرفت. با معادله ارتباط جرم-تحرک بر پایه دو جرم استاندارد دو نشانک دیگر شناسایی شد. یکی از آن ها به یک خوشه یونی که از پیوند تکه یونی به مولکول خنثی والین به دست آمده، نسبت داده شد و دیگری به یک کربوکاتیون ناشی از تکه تکه شدن والین پروتونه از راه حذف آب مرتبط شد. با مطالعه تحول زمانی یون های فراورده و واکنشگر و نیز تغییر دمای محفظه دستگاه، منشاء پیشنهادی نشانک ها تایید شد. به این ترتیب بدون نیاز به جفت شدن دستگاه طیف سنج تحرک یونی به دستگاه طیف سنج جرمی، شناسایی فراورده های یونش انجام شد.
In this research, chemical ionization of valine amino acid in atmospheric pressure has been investigated through its interaction with hydronium and ammonium ions by using ion mobility spectrometer equipped with corona discharge ionization source. It was found that in the presence of hydronium as reactant ion and ammonium as dopant, the ionization of valine took place through its protonation, fragmentation of protonated molecule, and also formation of adduct ions. At least six ionic species were identified as product. In ion mobility spectrum of valine, two signals were assigned to the protonated valine and its symmetric proton-bound dimer, respectively. Identification of two other signals were conducted by comparison of the ion mobility spectrum of valine and isobutylamine. Using mass-mobility correlation equation based on two standard masses, two other signals were assigned. One of them was attributed to an ionic cluster obtained from the interaction of the ionic fragment with the neutral molecule of valine and the other one was related to a carbocation resulting from the fragmentation of protonated valine through the elimination of water. By the study of time, evolution of product and reactant ions signals and also the change of cell temperature, the proposed origin of the signals was confirmed. Therefore, the identification of ion products without need to couple the ion mobility spectrometer to the mass spectrometer was performed.
[1] Bramwell CJ, Colgrave ML, Creaser CS, Dennis R. Development and evaluation of a nano-electrospray ionisation source for atmospheric pressure ion mobility spectrometry. Analyst. 2002;127(11):1467-70. doi: 10.1039/b206847h
[2] Asbury GR, Hill Jr HH. Separation of amino acids by ion mobility spectrometry. J Chromatogr A. 2000;902(2):433-7. doi: 10.1016/s0021-9673(00)00799-8
[3] O’Donnell RM, Sun X, Harrington PdB. Pharmaceutical applications of ion mobility spectrometry. TrAC Trends in Analytical Chemistry. 2008;27(1):44-53. doi: org/10.1016/j.trac.2007.10.014
[4] McCooeye MA, Ells B, Barnett DA, Purves RW, Guevremont R. Quantitation of morphine and codeine in human urine using high-filed asymmetric waveform ion mobility spectrometry (FAIMS) with mass spectrometric detection. J Anal Toxicol. 2001;25(2):81-7. doi: 10.1093/jat/25.2.81
[5] Khayamian T, Tabrizchi M, Jafari MT. Quantitative analysis of morphine and noscapine using corona discharge ion mobility spectrometry with ammonia reagent gas. Talanta. 2006;69(4):795-9. doi: 10.1016/j.talanta.2005.11.016
[6] Weston DJ, Bateman R, Wilson ID, Wood TR, Creaser CS. Direct analysis of pharmaceutical drug formulations using ion mobility spectrometry/quadrupole-time-of-flight mass spectrometry combined with desorption electrospray ionization. Analytical Chemistry. 2005;77(23):7572-80. doi: 10.1021/ac05 1277q
[7] Beegle LW, Kanik I, Matz L, Hill HH. Electrospray ionization high-resolution ion mobility spectrometry for the detection of organic compounds, 1. amino acids. Analytical Chemistry. 2001;73(13):3028-34. doi: 10 .1021/ac001519g
[8] Zhang F, Guo S, Zhang M, Zhang Z, Guo Y. Characterizing ion mobility and collision cross section of fatty acids using electrospray ion mobility mass spectrometry. J Mass Spectrom. 2015;50(7):906-13. doi: 10.1002/jms.3600
[9] Tabrizchi M, Khayamian T, Taj N. Design and optimization of a corona discharge ionization source for ion mobility spectrometry. Review of Scientific Instruments. 2000;71(6):2321-8. doi: 10.1063/1.1150618
[10] Borsdorf H, Schelhorn H, Flachowsky J, Döring H-R, Stach J. Corona discharge ion mobility spectrometry of aliphatic and aromatic hydrocarbons. Analytica Chimica Acta. 2000;403(1):235-42. doi: org/10.1016/S0003-2670(99)00567-X
[11] Sunner J, Nicol G, Kebarle P. Factors determining relative sensitivity of analytes in positive mode atmospheric pressure ionization mass spectrometry. Analytical Chemistry. 1988;60(13):1300-7. doi: 10.1 021/ac00164a012
[12] Ewing RG, Eiceman GA, Stone JA. Proton-bound cluster ions in ion mobility spectrometry. Int J Mass Spectrom Ion Process. 1999;193(1):57-68. doi: 10.10 16/s1387-3806(99)00141-4
[13] Valadbeigi Y, Farrokhpour H, Tabrizchi M. Effect of hydration on the kinetics of proton-bound dimer formation: Experimental and theoretical study. J Phys Chem A. 2014;118(36):7663-71. doi: 10.1021/jp 506 140m
[14] Maziejuk M, Puton J, Szyposzyńska M, Witkiewicz Z. Fragmentation of molecular ions in differential mobility spectrometry as a method for identification of chemical warfare agents. Talanta. 2015;144:1201-6. doi: 10.1016/j.talanta.2015.07.039
[15] Amo-González M, Carnicero I, Pérez S, Delgado R, Eiceman GA, Fernández de la Mora G, et al. Ion Mobility Spectrometer-Fragmenter-Ion Mobility Spectrometer Analogue of a Triple Quadrupole for High-Resolution Ion Analysis at Atmospheric Pressure. Analytical Chemistry. 2018;90(11):6885-92. doi: 10.1021/acs.anal chem.8b01086
[16] Bohnhorst A, Kirk AT, Yin Y, Zimmermann S. Ion fragmentation and filtering by alpha function in ion mobility spectrometry for improved compound differentiation. Analytical Chemistry. 2019;91(14):8941-7. doi: 10.1021/acs.analchem.9b00810
[17] Valadbeigi Y, Ilbeigi V, Michalczuk B, Sabo M, Matejcik S. Effect of basicity and structure on the hydration of protonated molecules, proton-bound dimer and cluster formation: An ion mobility-time of flight mass spectrometry and theoretical study. Journal of The American Society for Mass Spectrometry. 2019;30(7):1242-53. doi: org/10.1007/s13361-019-02180-z
[18] Tozihi M, Bahrami H, Farajmand B, Tabrizchi M. Ion mobility spectrometry and theoretical study for investigation of thermal decomposition, chemical ionization, and dimer formation of proline. International Journal of Mass Spectrometry. 2020;448:116272. doi: org/10.1016/j. ijms.2019.116272
[19] Choi SS, Song MJ, Kim OB, Kim Y. Fragmentation patterns of protonated amino acids formed by atmospheric pressure chemical ionization. Rapid Communications in Mass Spectrometry. 2013;27(1):143-51. doi: org/10.1002/rcm.6411
[20] Chen H-W, Lai J-H, Zhou Y-F, Huan Y-F, Li J-Q, Xie Z, et al. Instrumentation and characterization of surface desorption atmospheric pressure chemical ionization mass spectrometry. Chinese Journal of Analytical Chemistry. 2007;35(8):1233-40. doi: org/10.1016/S1872-2040(07)60079-6
[21] Piraud M, Vianey-Saban C, Petritis K, Elfakir C, Steghens J-P, Morla A, et al. ESI-MS/MS analysis of underivatised amino acids: A new tool for the diagnosis of inherited disorders of amino acid metabolism. Fragmentation study of 79 molecules of biological interest in positive and negative ionisation mode. Rapid Communications in Mass Spectrometry. 2003;17(12):1297-311. doi: 10.1002/rcm.1054
[22] Zhang P, Chan W, Ang IL, Wei R, Lam MMT, Lei KMK, et al. Revisiting Fragmentation Reactions of Protonated α-Amino Acids by High-Resolution Electrospray Ionization Tandem Mass Spectrometry with Collision-Induced Dissociation. Scientific Reports. 2019;9(1):6453. doi: org/10.1038/s41598-019-42777-8
[23] Fernandez-Maestre R, Wu C, Hill H. Separation of asparagine, valine and tetraethylammonium ions overlapping in an ion mobility spectrum by clustering with methanol introduced as a modifier into the buffer gas. Analytical Methods. 2015;7(3):863-9. doi: 10.1039/c4ay01814a
[24] Carroll D, Dzidic I, Stillwell R, Horning E. Identification of positive reactant ions observed for nitrogen carrier gas in plasma chromatograph mobility studies. Analytical Chemistry. 1975;47(12):1956-9. doi: org/10.1021/ac60362a029
[25] Tabrizchi M, Rouholahnejad F. Comparing the effect of pressure and temperature on ion mobilities. Journal of Physics D: Applied Physics. 2005;38(6):857-62. doi: 10.1088/0022-3727/38/6/012
[26] Mason E. Ion mobility: Its role in plasma chromatography. New York: Plenum Press; 1984.
[27] Wolańska I, Piwowarski K, Budzyńska E, Puton J. Effect of humidity on the mobilities of small ions in ion mobility spectrometry. Analytical Chemistry. 2023;95:8505-8511. doi: org/10.1021/acs.analchem.3c00435
[28] Lee C, Yang W, Parr RG. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. Physical Review B. 1988;37(2):785-9. doi: org/10.1103/PhysRevB.37.785
[29] Gwt MF, Frisch H, Schlegel G, et al. Gaussian 09, Revision A. 01. Wallingford: Gaussian Inc.; 2009.