Breath odor-based individual authentication by an artificial olfactory sensor system and machine learning.

Breath odor sensing-based individual authentication was conducted for the first time using an artificial olfactory sensor system. Using a 16-channel chemiresistive sensor array and machine learning, a mean accuracy of >97% was successfully achieved. The impact of the number of sensors on the accuracy and reproducibility was also demonstrated.

Correction: Breath odor-based individual authentication by an artificial olfactory sensor system and machine learning.

Correction for 'Breath odor-based individual authentication by an artificial olfactory sensor system and machine learning' by Chaiyanut Jirayupat et al., Chem. Commun., 2022, DOI: https://doi.org/10.1039/D1CC06384G.

Image Processing and Machine Learning for Automated Identification of Chemo-/Biomarkers in Chromatography-Mass Spectrometry.

We present a method named NPFimg, which automatically identifies multivariate chemo-/biomarker features of analytes in chromatography-mass spectrometry (MS) data by combining image processing and machine learning. NPFimg processes a two-dimensional MS map (m/z vs retention time) to discriminate analytes and identify and visualize the marker features. Our approach allows us to comprehensively characterize the signals in MS data without the conventional peak picking process, which suffers from false peak detections. The feasibility of marker identification is successfully demonstrated in case studies of aroma odor and human breath on gas chromatography-mass spectrometry (GC-MS) even at the parts per billion level. Comparison with the widely used XCMS shows the excellent reliability of NPFimg, in that it has lower error rates of signal acquisition and marker identification. In addition, we show the potential applicability of NPFimg to the untargeted metabolomics of human breath. While this study shows the limited applications, NPFimg is potentially applicable to data processing in diverse metabolomics/chemometrics using GC-MS and liquid chromatography-MS. NPFimg is available as open source on GitHub (http://github.com/poomcj/NPFimg) under the MIT license.

The impact of surface Cu2+ of ZnO/(Cu1-x Zn x )O heterostructured nanowires on the adsorption and chemical transformation of carbonyl compounds.

The surface cation composition of nanoscale metal oxides critically determines the properties of various functional chemical processes including inhomogeneous catalysts and molecular sensors. Here we employ a gradual modulation of cation composition on a ZnO/(Cu1-x Zn x )O heterostructured nanowire surface to study the effect of surface cation composition (Cu/Zn) on the adsorption and chemical transformation behaviors of volatile carbonyl compounds (nonanal: biomarker). Controlling cation diffusion at the ZnO(core)/CuO(shell) nanowire interface allows us to continuously manipulate the surface Cu/Zn ratio of ZnO/(Cu1-x Zn x )O heterostructured nanowires, while keeping the nanowire morphology. We found that surface exposed copper significantly suppresses the adsorption of nonanal, which is not consistent with our initial expectation since the Lewis acidity of Cu2+ is strong enough and comparable to that of Zn2+. In addition, an increase of the Cu/Zn ratio on the nanowire surface suppresses the aldol condensation reaction of nonanal. Surface spectroscopic analysis and theoretical simulations reveal that the nonanal molecules adsorbed at surface Cu2+ sites are not activated, and a coordination-saturated in-plane square geometry of surface Cu2+ is responsible for the observed weak molecular adsorption behaviors. This inactive surface Cu2+ well explains the mechanism of suppressed surface aldol condensation reactions by preventing the neighboring of activated nonanal molecules. We apply this tailored cation composition surface for electrical molecular sensing of nonanal and successfully demonstrate the improvements of durability and recovery time as a consequence of controlled surface molecular behaviors.

Influence of an Annealing Temperature in a Vacuum Atmosphere on the Physical Properties of Indium Tin Oxide Nanorod Films.

In the present study, indium tin oxide (ITO) nanorod films were produced by usage of ion-assisted electron-beam evaporation with a glancing angle deposition technique. The as-produced ITO nanorod films were annealed in the temperature range of 100-500 °C for two hours in a vacuum atmosphere. The as-produced ITO nanorod films exhibited (222) and (611) preferred orientations from the X-ray diffraction pattern. After vacuum annealing at 500 °C, the ITO nanorod films demonstrated many preferred orientations and the improvement of film crystallinity. The sheet resistance of the as-produced ITO nanorod films was 11.92 Ω/ and was found to be 13.63 Ω/ by annealing at 500 °C. The as-produced and annealed ITO nanorod films had a rod diameter of around 80 nm and transmittance in a visible zone of around 90%. The root mean square roughness of the as-produced ITO nanorod film's surface was 5.49 nm, which increased to 13.77 nm at an annealing temperature of 500 °C. The contact angle of the as-produced ITO nanorod films was 110.9° and increased to 116.5° after annealing at 500 °C.

Synthesis of Monodispersedly Sized ZnO Nanowires from Randomly Sized Seeds.

We demonstrate the facile, rational synthesis of monodispersedly sized zinc oxide (ZnO) nanowires from randomly sized seeds by hydrothermal growth. Uniformly shaped nanowire tips constructed in ammonia-dominated alkaline conditions serve as a foundation for the subsequent formation of the monodisperse nanowires. By precisely controlling the sharp tip formation and the nucleation, our method substantially narrows the distribution of ZnO nanowire diameters from σ = 13.5 nm down to σ = 1.3 nm and controls their diameter by a completely bottom-up method, even initiating from randomly sized seeds. The proposed concept of sharp tip based monodisperse nanowires growth can be applied to the growth of diverse metal oxide nanowires and thus paves the way for bottom-up grown metal oxide nanowires-integrated nanodevices with a reliable performance.

Study of Annealing Influence on Basic Properties of Indium Tin Oxide Nanorod Films Deposited Using Glancing Angle Ion-Assisted Electron Beam Evaporation.

Indium tin oxide (ITO) nanorod films were deposited onto glass slides and Si wafers using ionassisted electron beam evaporation with a glancing angle deposition technique. The annealing influence on the basic properties of the as-deposited ITO nanorod films was studied in the range of 100-500 °C for two hours in air. The crystallinity of the ITO nanorod films was enhanced with the increasing annealing temperature, and the average transmission of the as-deposited ITO nanorod films in the visible range was 90%. This value did not change significantly after the annealing process. The optical bandgap of the as-deposited ITO nanorod films was 3.94 eV and increased slightly after annealing. The sheet resistance of the as-deposited ITO nanorod films was 12.9 Ω/ and increased to 57.8 Ω/ at an annealing temperature of 500 °C. The as-deposited ITO nanorod films showed nanorod structures with average diameters of 79 nm, which changed slightly with the annealing temperature. The root mean square roughness of the as-deposited ITO nanorod films was 7.9 nm and changed slightly with annealing. The as-deposited ITO nanorod films had an average contact angle of 110.9°, which decreased to 64.2° at an annealing temperature of 500 °C. The experimental results showed that varying the annealing temperature influenced the structural, electrical and wettability properties of the ITO nanorod films while the optical properties and surface morphology were almost unaffected.