A prediction model using 2-propanol and 2-butanone in urine distinguishes breast cancer.

Safe and noninvasive methods for breast cancer screening with improved accuracy are urgently needed. Volatile organic compounds (VOCs) in biological samples such as breath and blood have been investigated as noninvasive novel markers of cancer. We investigated volatile organic compounds in urine to assess their potential for the detection of breast cancer. One hundred and ten women with biopsy-proven breast cancer and 177 healthy volunteers were enrolled. The subjects were divided into two groups: a training set and an external validation set. Urine samples were collected and analyzed by gas chromatography and mass spectrometry. A predictive model was constructed by multivariate analysis, and the sensitivity and specificity of the model were confirmed using both a training set and an external set with reproducibility tests. The training set included 60 breast cancer patients (age 34-88 years, mean 60.3) and 60 healthy controls (age 34-81 years, mean 58.7). The external validation set included 50 breast cancer patients (age 35-85 years, mean 58.8) and 117 healthy controls (age 18-84 years, mean 51.2). One hundred and ninety-one compounds detected in at least 80% of the samples from the training set were used for further analysis. The predictive model that best-detected breast cancer at various clinical stages was constructed using a combination of two of the compounds, 2-propanol and 2-butanone. The sensitivity and specificity in the training set were 93.3% and 83.3%, respectively. Triplicated reproducibility tests were performed by randomly choosing ten samples from each group, and the results showed a matching rate of 100% for the breast cancer patient group and 90% for the healthy control group. Our prediction model using two VOCs is a useful complement to the current diagnostic tools. Further studies inclusive of benign tumors and non-breast malignancies are warranted.

Development of Ion Mobility Spectrometry with Novel Atmospheric Electron Emission Ionization for Field Detection of Gaseous and Blister Chemical Warfare Agents.

Drift tube ion mobility spectrometry with a novel atmospheric electron emission (AEE) source was developed for determination of gaseous and blister chemical warfare agents (CWAs) in negative mode. The AEE source was fabricated from an aluminum substrate electrode covered with 1 µm silver nanoparticle-dispersed silicone resin and a thin gold layer. This structure enabled stable tunneling electron emission upon the application of more than 11 V potential under atmospheric pressure. The reactant ion peak (RIP) was observed for the reduced mobility constant ( K0) of 2.18 and optimized at the charging voltage of 20 V. This RIP was assigned to O2- by using a mass spectrometer. Hydrogen cyanide was detected as a peak ( K0 = 2.47) that was discriminatively separated from the RIP (resolution = 1.4), with a limit of detection (LOD) of 0.057 mg/m3, and assigned to CN- and OCN-. Phosgene was detected as a peak ( K0 = 2.36; resolution = 1.2; and LOD = 0.6 mg/m3), which was assigned to Cl-. Lewisite 1 was detected as two peaks ( K0 = 1.68 and 1.34; LOD = 12 and 15 mg/m3). The K0 = 1.68 peak was ascribed to a mixture of adducts of molecules or the product of hydrolysis with oxygen or chloride. Cyanogen chloride, chlorine, and sulfur mustard were also well detected. The detection performance with the AEE source was compared with those under corona discharge and 63Ni ionizations. The advantage of the AEE source is the simple RIP pattern (only O2-), and the characteristic marker ions contribute to the discriminative CWAs detection.

Development of a detection tablet for a portable NO2 monitoring system.

We have already developed a HCHO monitoring system which is called FP-30. In this experiment, we have developed a NO(2) detection tablet which can be used by the monitoring system. The detection tablet for the NO(2) was constructed with the sensing paper: porous cellulose paper that contains silica gel as an adsorbent, N-1-naphthylethylenediamine dihydrochloride (NED), and glycerin. The NO(2) in sample gas was blown over and adsorbed on the surface of the sensing paper. Then the NO(2) reacted with NED, producing a yellow compound. The coloring reaction took place on the surface of the sensing paper. The degree of color change of paper from white to yellow was monitored as a function of the intensity of the reflected light (lambda = 475 nm) of an LED. The detection limit was 0.01 ppm when the sampling time was 30 min, and the flow rate of sample gas was 250 ml/min. This sensing paper process was not interfered with by acetaldehyde, acetone, alcohols, hydrocarbons, carbon monoxide or carbon dioxide. The NO(2) concentrations in the rooms of a house or school were monitored using this monitoring system and the standard chemiluminescence method. The concentrations of NO(2) monitored by both methods were within 18% of the average. This highly sensitive, selective, and handy NO(2) gas monitoring system will be widely applicable and convenient for users who are not specialists in this field.

Portable sick house syndrome gas monitoring system based on novel colorimetric reagents for the highly selective and sensitive detection of formaldehyde.

Formaldehyde (HCHO) emitted from the furniture and the walls in the rooms injures the eyes, nose, and respiratory organs and causes allergies, which is called sick house syndrome. We designed and synthesized novel colorimetric HCHO-sensing molecules (KD-XA01 and KD-XA02) which possess an enaminone structure and developed a hand-held instrument to monitor indoor HCHO gas with the use of KD-XA01. These sensing molecules produced speedy color changes from colorless to yellow under mild conditions, which was caused by the fact that the enaminone structure in the reagent reacts with HCHO to give a lutidine derivative. This reaction took place not only in the solution phase but also in the solid phase (surface of the cellulose paper). To take advantage of this phenomena, a handy and rapid monitoring system has been developed for detecting indoor HCHO gas using a highly sensitive and selective detection tablet constructed from the porous cellulose paper that contains silica gel as an adsorbent, KD-XA01, and phosphoric acid under optimum conditions. This instrument detected the surface color change of the tablet from white to yellow, which was monitored as a function of the intensity of the reflected light illuminated by an LED (475 nm). The response was proportional to the HCHO concentration at a constant sampling time and flow rate; 0.05 ppm HCHO, which is under the standard value set by the World Health Organization, was able to be detected in 5 min. The detection limit was 0.005 ppm. This monitoring system was not interfered by carbonyl compounds such as acetaldehyde and acetone, alcohols, hydrocarbons, and typical gases such as carbon monoxide, carbon dioxide, nitrogen dioxide, etc., which contributes to the measurement of correct HCHO concentrations. It was possible to monitor the HCHO gas in the room of a new apartment and school using this instrument; the response values were in good agreement with those obtained by the standard DNPH method. This highly sensitive, selective, and handy HCHO gas monitor is widely applicable and convenient for users who are not specialists in this field.