Qualitative and quantitative rapid detection of VOCs differentially released by VAP-associated bacteria using PTR-MS and FGC-PTR-MS.

Ventilator-associated pneumonia (VAP) is a prevalent disease caused by microbial infection, resulting in significant morbidity and mortality within the intensive care unit (ICU). The rapid and accurate identification of pathogenic bacteria causing VAP can assist clinicians in formulating timely treatment plans. In this study, we attempted to differentiate bacterial species in VAP by utilizing the volatile organic compounds (VOCs) released by pathogens. We cultured 6 common bacteria in VAP in vitro, including Acinetobacter baumannii, Enterobacter cloacae, Escherichia coli, Pseudomonas aeruginosa, Stenotrophomonas maltophilia, and Staphylococcus aureus, which covered most cases of VAP infection in clinic. After the VOCs released by bacteria were collected in sampling bags, they were quantitatively detected by a proton transfer reaction-mass spectrometry (PTR-MS), and the characteristic ions were qualitatively analyzed through a fast gas chromatography-proton transfer reaction-mass spectrometry (FGC-PTR-MS). After conducting principal component analysis (PCA) and analysis of similarities (ANOSIM), we discovered that the VOCs released by 6 bacteria exhibited differentiation following 3 h of quantitative cultivation in vitro. Additionally, we further investigated the variations in the types and concentrations of bacterial VOCs. The results showed that by utilizing the differences in types of VOCs, 6 bacteria could be classified into 5 sets, except for A. baumannii and E. cloacae which were indistinguishable. Furthermore, we observed significant variations in the concentration ratio of acetaldehyde and methyl mercaptan released by A. baumannii and E. cloacae. In conclusion, the VOCs released by bacteria could effectively differentiate the 6 pathogens commonly associated with VAP, which was expected to assist doctors in formulating treatment plans in time and improve the survival rate of patients.

HS-SPME-GC-MS Untargeted Analysis of Normal Rat Organs Ex Vivo: Differential VOC Discrimination and Fingerprint VOC Identification.

The investigation of volatile organic compounds (VOCs) in human metabolites has been a topic of interest as it holds the potential for the development of non-invasive technologies to screen for organ lesions in vivo. However, it remains unclear whether VOCs differ among healthy organs. Consequently, a study was conducted to analyze VOCs in ex vivo organ tissues obtained from 16 Wistar rats, comprising 12 different organs. The VOCs released from each organ tissue were detected by the headspace-solid phase microextraction-gas chromatography-mass spectrometry technique. In the untargeted analysis of 147 chromatographic peaks, the differential volatiles of rat organs were explored based on the Mann-Whitney U test and fold change (FC > 2.0) compared with other organs. It was found that there were differential VOCs in seven organs. A discussion on the possible metabolic pathways and related biomarkers of organ differential VOCs was conducted. Based on the orthogonal partial least squares discriminant analysis and receiver operating characteristic curve, we found that differential VOCs in the liver, cecum, spleen, and kidney can be used as the unique identification of the corresponding organ. In this study, differential VOCs of organs in rats were systematically reported for the first time. Profiles of VOCs produced by healthy organs can serve as a reference or baseline that may indicate the presence of disease or abnormalities in the organ's function. Differential VOCs can be used as the fingerprint of organs, and future integration with metabolic research may contribute to the development of healthcare.

Evaluation of a New DC-Ion Funnel Drift Tube for Use in Proton Transfer Reaction Mass Spectrometry.

We have developed and characterized a novel drift tube called the direct current-ion funnel (DC-ion funnel) drift tube, consisting of 20 traditional ring electrodes and 5 new DC-focusing electrodes (DC-FEs) for use in proton transfer reaction mass spectrometry (PTR-MS). Ion trajectory simulations demonstrate the ion focusing effect of the DC-FE and DC-ion funnel drift tube. Further comparative experiments show that the PTR-MS with the novel DC-ion funnel drift tube has a higher sensitivity (3.8-7.3 times for the volatile organic compounds considered in this work) than the PTR-MS with a traditional drift tube. Different from conventional radiofrequency (rf) focusing methods, the DC-ion funnel drift tube can realize ion focusing with only a DC electric field and no additional rf power supply, which makes it especially suitable for instruments requiring miniaturization and low power consumption to improve detection sensitivity. In addition, the DC-ion funnel drift tube can easily be coupled to other types of mass spectrometers to increase their detection sensitivity.

Increased Sensitivity in Proton Transfer Reaction Mass Spectrometry by Using a Novel Focusing Quadrupole Ion Funnel.

Sensitivity enhancement in proton transfer reaction mass spectrometry (PTR-MS) is an important development direction. We developed a novel drift tube called a focusing quadrupole ion funnel (FQ-IF) for use in PTR-MS to improve the sensitivity. The FQ-IF consists of 20 layers of stainless steel electrodes, and each layer has 4 quarter rings. The first 6 layers have a constant inner hole diameter of 22 mm; the latter 14 layers taper the inner diameter down to 8 mm. The FQ-IF drift tube can also operate in the direct current (DC) mode (similar to a conventional drift tube) and ion funnel (IF) mode (similar to a conventional ion funnel drift tube) by changing the voltage loading method. The simulation results show that the transmission efficiency of the FQ-IF is significantly improved compared to that of the other two modes. Further experiments show that the product ions of limonene tend to convert into smaller m/z fragment ions at higher voltages for the DC and IF modes. However, unlike the DC and IF modes, the distribution of product ions is stable at higher voltages for the FQ-IF. In other words, a higher RF voltage for the FQ-IF will not increase the collision energy of ions. In addition, the improvements in sensitivity for the FQ-IF range from 13.8 to 87.9 times compared to the DC mode and from 1.7 to 4.8 times compared to the IF mode for the 12 test compounds. The improvements in the limit of detection (LOD) for the FQ-IF range from 2.7 to 35.7 times compared to the DC mode. The FQ-IF provides a valuable reference for improving the sensitivity of PTR-MS and other mass spectrometers.

Distinguish oral-source VOCs and control their potential impact on breath biomarkers.

By means of glass bottle sampling followed by solid-phase microextraction gas chromatography-mass spectrometry (SPME-GC-MS) technique, the change characteristics of volatile organic compounds (VOCs) in breaths, between before gargling and after gargling, were investigated, respectively, in 41 healthy subjects and 50 esophageal cancer patients. Using an untargeted strategy, 143 VOC chromatographic peaks were enrolled in the statistical analysis. Based on the orthogonal partial least squares discriminant analysis (OPLS-DA), the VOC variations after gargling for each breath test group were obtained according to the combined criteria of variable importance in projection (VIP > 1.5), Wilcoxon signed-rank test (P < 0.05), and fold change (FC > 2.0). When gargled, the levels of indole, phenol, 1-propanol, and p-cresol in the breath of healthy people decreased; meanwhile, for esophageal cancer patients, the declined VOCs in breath were indole, phenol, dimethyl disulfide, and p-cresol. Particularly, these substances were previously reported as breath biomarkers in some diseases such as esophageal, gastric, thyroid, breast, oral, and lung cancers, as well as certain non-cancer disorders. The present work indicates that expiratory VOCs involve the prominent oral cavity source, and in the breath biomarkers study, the potential impact that originates from oral volatiles should be considered. In view of the present results, it is also proposed that gargle pretreatment could eliminate possible interference from the oral cavity VOCs that might benefit breath biomarker investigation. Gargle pretreatment helps to distinguish oral-source VOCs and control their potential impact on breath biomarkers.

Analysis of volatile organic compounds from deep airway in the lung through intubation sampling.

Exhaled volatile organic compounds (VOCs) have been widely applied for the study of disease biomarkers. Oral exhalation and nasal exhalation are two of the most common sampling methods. However, VOCs released from food residues and bacteria in the mouth or upper respiratory tract were also sampled and usually mistaken as that produced from body metabolism. In this study, exhalation from deep airway was first directly collected through intubation sampling and analyzed. The exhalation samples of 35 subjects were collected through a catheter, which was inserted into the trachea or bronchus through the mouth and upper respiratory tract. Then, the VOCs in these samples were detected by proton transfer reaction mass spectrometry (PTR-MS). In addition, fast gas chromatography proton transfer reaction mass spectrometry (FGC-PTR-MS) was used to further determine the VOCs with the same mass-to-charge ratios. The results showed that there was methanol, acetonitrile, ethanol, methyl mercaptan, acetone, isoprene, and phenol in the deep airway. Compared with that in oral exhalation, ethanol, methyl mercaptan, and phenol had lower concentrations. In detail, the median concentrations of ethanol, methyl mercaptan, and phenol were 7.3, 0.6, and 23.9 ppbv, while those in the oral exhalation were 80.0, 5.1, and 71.3 ppbv, respectively, which meant the three VOCs mainly originated from the food residues and bacteria in the mouth or upper respiratory tract, rather than body metabolism. The research results in our study can provide references for expiratory VOC research based on oral and nasal exhalation samplings, which are more feasible in clinical practice.

SERS Approach to Probe the Adsorption Process of Trace Volatile Benzaldehyde on Layered Double Hydroxide Material.

The study of the physicochemical process of volatile organic compound (VOC) adsorption on porous materials is significant for design and screening of adsorbent materials and treatment of VOCs. Traditional measurement methods for studying the adsorption process require lots of adsorbates and adsorbents and are time-consuming. We proposed a facile strategy to study the adsorption process of trace gaseous aldehydes on layered double hydroxide (LDH) using surface-enhanced Raman spectroscopy (SERS). We prepared a composite of Ag nanocubes@hollow Co-Ni LDH (AgNCs@Co-Ni LDH) with a strong adsorption capability and high SERS sensitivity. The adsorption properties of LDH for benzaldehyde in terms of general kinetics and isotherms were investigated. The kinetic adsorption process could be fitted better by the pseudo-first-order kinetics with a higher correlation coefficient than by the pseudo-second-order model, and the adsorption rate of 0.0308 min-1 was obtained from the fitting curve. The isotherm adsorption fits the Langmuir isotherm model, and its adsorption constant is 6.25 × 106 L/mol. Taking advantage of the excellent adsorptive performance and SERS activity, the AgNCs@Co-Ni LDH composite can be used as an effective SERS probe to detect gaseous aldehydes, and it shows a linear dynamic range (5-100 ppb) with a limit of detection reaching 1.83 ppb for benzaldehyde, better than that achieved by previous studies. Therefore, this work has not only established a new measurement method for probing the adsorption process with extremely low consumption of both adsorbates and adsorbents, but also may lay the groundwork for the construction of rapid and ultra-sensitive SERS sensors for probing VOCs in the future.

Dopant for detection of methamphetamine in the presence of nicotine with ion mobility spectrometry.

Methamphetamine (MA) is a highly addictive and illegal psychostimulant drug and is currently one of the most commonly abused illicit drugs in the world. The on-site rapid detection of trace amounts of MA and screening illicit drugs in clandestine laboratories is important for drug enforcement agencies and the forensic community in general. However, detecting methamphetamine in the presence of nicotine and cigarette smoke by ion mobility spectrometry faces difficulty due to the overlapped spectral peaks of methamphetamine and nicotine. In this work, a new method was developed to detect MA using pyridine as a dopant in the presence of nicotine by a homemade ion mobility spectrometry. The reduced mobilities of MA and nicotine were measured under the temperatures of the drift tube from 40 to 120 °C and doping with pyridine. The result shows that the temperature of 100 °C is beneficial to resolve the two substances. The concentration of doped pyridine is optimized to be 18 ppm. In this doped experiment, the reaction rate of nicotine is higher than that of MA by measuring the instrumental responses of MA and nicotine. No matter how high the nicotine content is, the interference of nicotine can be eliminated in the detection of MA doped with pyridine. This method is also successfully applied for the determination of MA and nicotine simultaneously in real saliva samples. The limit of detection of MA was measured to be about 0.5 ng/µL. The promising results in this work provide an effective method for on-site detection of MA.

Modification of an atmospheric pressure photoionization source for online analysis of exhaled breath coupled with quadrupole time-of-flight mass spectrometry.

Breath analysis is a promising method for metabolomics studies and clinical diagnosis, as it enables the observation of metabolites in a convenient and noninvasive way. In this work, an atmospheric pressure photoionization (APPI) source was modified for online analysis of exhaled breath by coupling with quadrupole time-of-flight mass spectrometry (QTOFMS). Three parameters, namely, the capillary voltage, the sampling flow and the curtain gas flow of the APPI source, were optimized. Five healthy volunteers, three males and two females, were enrolled to test the performance of modified APPI-QTOFMS by analyzing their exhaled breath. A total of 21 compounds were tentatively identified, and four metabolites, namely, dimethyl selenoxide, δ-valerolactam, hydroxymandelic acid and palmitic amide were detected in the exhaled breath for the first time. The result shows that modified APPI-QTOFMS can be used for the online study of exhaled breath. Graphical abstract.

Variable VOCs in plastic culture flasks and their potential impact on cell volatile biomarkers.

In order to find out cancer markers in human breath, in vitro cell culture is often used to study the characteristic volatile organic compounds (VOCs). In the cell culture process, disposable vessels are frequently adopted. However, these vessels are normally made of plastic, and they have the possibility to release some VOCs, which may interfere with the cell-specific volatiles and even can result in an incorrect conclusion. In this study, by using glass cell culture flasks as control, the headspace solid-phase microextraction gas chromatography mass spectrometry (HS-SPME-GC-MS) analyses of the VOCs in plastic cell culture flasks were systematically carried out for the first time. A total of 35 VOCs were detected in five brands of flasks. In each flask, there were between 13 and 25 volatile compounds. Furthermore, the components and packaging bag of each flask were also sampled and analyzed by HS-SPME-GC-MS. The results show that the flask cap, septum, flask body, and packaging bag exhibit respectively different volatile behaviors. The former two parts release the most volatiles which have obvious contributions to the headspace gases in the flasks, while the flask body mainly liberates styrene. For different flasks packed within the same bag, the headspace analyses show that their residual VOCs are inconsistent with each other. Moreover, the residual VOCs in the same flask are variable in three consecutive days. These results indicate that the multiple flasks in parallel cell culture experiments, or the same flask with different cell culture durations, will produce an indelible disturbance to the cell-specific VOCs. In addition, among the 35 VOCs detectable in five brands of empty plastic flasks, 15 VOCs were previously reported as characteristic VOCs from lung cancer, melanoma, cervical cancer cells, or normal cells. This is an alert that, when using plastic flasks, it must be careful to treat the possible interference from the background VOCs in the flasks. This study demonstrates that the cell culture tool needs to be standardized, and the clean glass or metal vessels are strongly recommended for usage when studying cell volatile biomarkers. Graphical abstract.

Standardization study of expiratory conditions for on-line breath testing by proton transfer reaction mass spectrometry.

Breath testing is a noninvasive method with potential for diagnosing cancers and has been regarded as one of the research hotspots in metabolomics. In the conventional breath sampling process, however, degradation of exhaled metabolites and introduction of impurities from sampling bags or tubes limit the development of breath research. To solve this problem, we previously developed an on-line breath sampling system, which can directly deliver exhaled gases from the mouth to the proton transfer reaction mass spectrometry (PTR-MS) breath analysis instrument. To establish a standard expiratory method for this system, four parameters that may affect the concentrations of exhaled volatile organic compounds (VOCs) were studied. We found inhaled gas volume, breath holding time, mouth rinsing, and ambient air all affected the exhaled VOCs. In particular, the breath holding time and mouth rinsing significantly affected the VOCs which originate from the oral cavity. Therefore, these four parameters should be taken into account in future on-line breath testing.

Detection of Volatile Organic Compounds in a Drop of Urine by Ultrasonic Nebulization Extraction Proton Transfer Reaction Mass Spectrometry.

Detection of volatile organic compounds (VOCs) in human urine has potential application value in screening for disease and toxin exposure. However, the current technologies are too slow to detect the concentration of VOCs in fresh urine. In this study, we developed a novel ultrasonic nebulization extraction proton transfer reaction mass spectrometry (UNE-PTR-MS) technology. The urinary VOCs can be rapidly extracted to gaseous VOCs using the UNE system and then delivered using a carrier gas to the PTR-MS instrument for rapid detection. The carrier gas flow and sample size were optimized to 100 mL/min and 100 µL, respectively. The limits of detection (LODs) and response time of the UNE-PTR-MS were evaluated by detecting three VOCs that are common in human urine: methanol, acetaldehyde, and acetone. The LODs determined for methanol (4.47 µg/L), acetaldehyde (1.98 µg/L), and acetone (3.47 µg/L) are 2-3 orders of magnitude lower than the mean concentrations of that in healthy human urine. The response time of the UNE-PTR-MS is 34 s and only 0.66 mL of urine is required for a full scan. The repeatability of this UNE-PTR-MS was evaluated, and the relative standard deviations of 5 independent determinations were between 4.62% and 5.21%. Lastly, the UNE-PTR-MS was applied for detection of methanol, acetaldehyde, and acetone in real human urine to test matrix effects, yielding relative recoveries of between 88.39% and 94.54%. These results indicate the UNE-PTR-MS can be used for the rapid detection of VOCs in a drop of urine and has practical potential for diagnosing disease or toxin exposure.

Exhaled breath online measurement for cervical cancer patients and healthy subjects by proton transfer reaction mass spectrometry.

Cervical cancer is a common cancer among women and has a high morbidity and mortality. The traditional clinical methods for cervical cancer screening are invasive and limited in terms of cost and time. There is an unmet clinical need for new methods to aid clinicians in the rapid screening and auxiliary diagnosis of cervical precancer. Recently, breath analysis has become an attractive approach for investigation of cancer biomarkers and shows great potential in cancer screening owing to its high sensitivity, quickness, and non-invasive nature. In this pilot study, breath analysis by proton transfer reaction mass spectrometry (PTR-MS) was utilized for online analysis of the exhaled breath of 13 cervical cancer patients and 34 female healthy volunteers. The Mann-Whitney U test and stepwise forward linear discriminant analysis were performed for data statistics. On the basis of the statistical analysis, four characteristic ions at m/z 76, 87, 93, and 121 were found for discriminating cervical cancer. The sensitivity and specificity were calculated to be 92.3% and 88.2%, respectively, using the stepwise discriminant analysis. The possible identities of characteristic ions were also discussed in detail. Although there are some uncertainties in the identification of these characteristic ions and more participants (including cervical cancer patients and healthy volunteers) are needed to further confirm the results, the results in this study demonstrate that the online breath test using PTR-MS is a promising approach for cervical cancer screening.

Spray Inlet Proton Transfer Reaction Mass Spectrometry (SI-PTR-MS) for Rapid and Sensitive Online Monitoring of Benzene in Water.

Rapid and sensitive monitoring of benzene in water is very important to the health of people and for environmental protection. A novel and online detection method of spray inlet proton transfer reaction mass spectrometry (SI-PTR-MS) was introduced for rapid and sensitive monitoring of trace benzene in water. A spraying extraction system was coupled with the self-developed PTR-MS. The benzene was extracted from the water sample in the spraying extraction system and continuously detected with PTR-MS. The flow of carrier gas and salt concentration in water were optimized to be 50 sccm and 20% (w/v), respectively. The response time and the limit of detection of the SI-PTR-MS for detection of benzene in water were 55 s and 0.14 µg/L at 10 s integration time, respectively. The repeatability of the SI-PTR-MS was evaluated, and the relative standard deviation of five replicate determinations was 4.3%. The SI-PTR-MS system was employed for monitoring benzene in different water matrices, such as tap water, lake water, and wastewater. The results indicated that the online SI-PTR-MS can be used for rapid and sensitive monitoring of trace benzene in water.

Rapid analysis and identification of meat species by laser-ablation electrospray mass spectrometry (LAESI-MS).

RATIONALE: Laser-ablation electrospray ionization mass spectrometry (LAESI-MS) was applied to analyze fresh meat species without sample pretreatment. The study demonstrates that the LAESI-MS technique is a promising, rapid and accurate method for meat identification using a protocol combining principal component analysis (PCA) and partial least squares discriminant analysis (PLS-DA). METHODS: A focused IR-laser was used for meat sample ablation at a wavelength of 2940 nm. The ablated particulates were carried through a transfer PTFE tube using air as carrier gas, delivered to the electrospray plume and ionized. A TOF-MS was used to detect the ion signal. The raw mass spectra were analyzed using the PCA and PLS-DA protocol. RESULTS: Five fresh meat samples, chicken, duck, pork, beef and mutton, were identified by the developed LAESI-MS technique using the protocol combining PCA and PLS-DA. The discrimination accuracy of all meat species is 100%, and the score plot also shows good identifying ability. CONCLUSIONS: Five fresh meat samples were analyzed using the LAESI-MS technique. Each set of raw mass data was collected within 30 s and analyzed by the PCA and PLS-DA protocol. Eighteen, 19, 18, 17, and 15 markers for chicken, duck, pork, beef, and mutton, respectively, have been selected successfully for meat identification. The results demonstrate that LAESI-MS is a new reliable and rapid method for meat identification. Copyright © 2016 John Wiley & Sons, Ltd.

Exhaled gases online measurements for esophageal cancer patients and healthy people by proton transfer reaction mass spectrometry.

BACKGROUND: Esophageal cancer is a prevalent malignancy. There is a considerable demand for developing a fast and noninvasive method to screen out the suspect esophageal cancer patients who may undergo further clinical diagnosis. METHODS: The exhaled breathes from 29 esophageal cancer patients and 57 healthy people were directly measured using our home-made proton transfer reaction mass spectrometer (PTR-MS). Mann-Whitney U test and stepwise discriminant analysis were applied to identify the ions in the breath mass spectral data which can distinguish cancer cohort from healthy group. Receiver operating characteristics (ROC) analysis was also performed. RESULTS: Seven kinds of ions in the breath mass spectrum, viz., m/z 136, m/z 34, m/z 63, m/z 27, m/z 95, m/z 107 and m/z 45, have been found to distinguish between the esophageal cancer patients and healthy people with a sensitivity of 86.2% and a specificity of 89.5%, respectively. Compared with that from the healthy people, the breath mass spectra from esophageal cancer patients show that the mediant intensities of five kinds of ions were decrease and the rest two kinds of ions were increase. ROC analysis gave the area under the curve (AUC) of 0.943. CONCLUSIONS: This pilot study shows that the ionic characteristics of exhaled VOCs detected by PTR-MS may be used to differentiate between the esophageal cancer patients and the healthy people. Although the breath tests for more patients are needed to confirm such results, the present work indicates that the PTR-MS may be a promising method in the esophageal cancer screening.

[Asymmetric control method for ion shutter and the resolution improvement of ion mobility spectrum].

In order to change the driving mode of ion shutter, simplify the design of ion shutter driving power and improve the resolution of ion mobility spectrometry, a series of resistors were added to achieve asymmetric power supply of ion shutter, and the low voltage part was controlled to realize the function of ion shutter. Two conditions in this mode, the effect of electric field in drift tube and the resolution and signal-to-noise ratio of ion mobility spectrum were analyzed. Aided by SIMION 7.0, the electric field distribution at both sides of ion shutter was simulated and compared. Electric field data of drift tube axis was calculated through the method of numerical solution of Laplace equation. Experiment has proved that: compared with floating ground driving power used in conventional ion mobility spectrometry, the driving mode was low cost, and the design of ion shutter driving power supply was simple, and the resolution of ion mobility spectrometry was enhanced significantly. The method can be used in measurement instrument or experimental device of ion mobility spectrometry.

Rapid and non-invasive diagnosis of type 2 diabetes through sniffing urinary acetone by a proton transfer reaction mass spectrometry.

Urinary acetone in urine is produced from fat metabolism in human body, which can be accelerated in diabetic patients because of insufficient utilization and storage of glucose. In this study, we tried to develop a novel diagnosis method of type 2 diabetes (T2D) through sniffing urinary acetone by a proton transfer reaction mass spectrometry (PTR-MS). A total of 180 T2D patients and 180 healthy volunteers were recruited from three hospitals for multicenter study. Urine samples were collected in the morning when donators were fasting and stored in glass bottles. Acetone in the headspace of these bottles was qualitatively and quantitatively detected by the PTR-MS in 8 h. Using a threshold of 690.1 ppbv, a diagnostic model was established using urinary acetone with an accuracy of 81.3% (sensitivity: 73.3%, specificity: 89.3%) in hospital Ⅰ. In the verification studies, the accuracies were 92.5% (sensitivity: 88.7%, specificity: 96.2%) in hospital Ⅱ and 83.7% (sensitivity: 76.9%, specificity: 90.4%) in hospital Ⅲ, respectively. The accuracy is comparable to that of clinically used diagnosis methods, fasting plasma glucose (FPG), oral glucose tolerance test (OGTT), and glycosylated hemoglobin A1c (HbA1c) test. The sensitivity for 35 newly diagnosed patients was 85.7%. The newly developed technology is completely non-invasive and much more rapid than clinical FPG, OGTT, and HbA1c tests. It has a promising prospect in clinical use. But the applicability in different human races still need more validations.

Qualitative and quantitative determination of butanol in latex paint by fast gas chromatography proton transfer reaction mass spectrometry.

Butanol is a common organic solvent used in latex paint, and one of its isomers, tert-butanol, is toxic and can cause potential harm to the human body. Therefore, it is of great significance to develop a qualitative and quantitative detection method for butanol isomers. In this study, we combined the advantages of rapid detection of proton transfer reaction mass spectrometry (PTR-MS) with the separation and qualitative capabilities of gas chromatography-mass spectrometry (GC-MS) to achieve the detection of isomers, building a fast gas chromatography proton transfer reaction mass spectrometry (FastGC-PTR-MS) equipment. Firstly, the developed technology was optimized using standard samples of several common volatile organic compounds. The retention times of acetonitrile, acetone, and alcohols were less than 50 s, and the retention times of the benzene series were less than 110 s, on the premise that these isomers could be basically separated (resolution R > 1.0). Compared with a commercial GC-MS equipment, the detection times were shortened by 5-6 times and 2-4 times, respectively. Then the FastGC-PTR-MS was applied to detect the isomers of butanol in latex paint. The results showed that the headspace of brand D latex paint mainly contained five substances: tert-butanol, n-butanol, acetaldehyde, methanol, and acetone. Tert-butanol and n-butanol could be completely separated (R > 1.5). The concentration of tert-butanol was 4.41 ppmv, far below the 100 ppmv maximum allowable workplace concentration. The developed FastGC-PTR-MS can be used for rapid qualitative and quantitative detection of butanol isomers in latex paint. The new equipment has the potential to play an important role in indoor environmental safety applications.