Periodic Reporting for period 3 - GIDPROvis (Gas Ion Distillation and Sequential Ion Processing Technologies for Identification and Visualization of Chemicals in Airborne Vapors)
Berichtszeitraum: 2022-10-01 bis 2023-09-30
Three original breakthrough technologies of Gas Ion Distillation (GID), Sequential Ion Processing (PRO), and live visualization of volatile chemicals in ambient atmospheric environments (vis) provide humans access to a molecular world heretofore unseen. Molecular auras in GIDPROvis are derived from small, portable GIDPRO analysers based on high-speed separation of vapours, as ions derived from individual chemicals, and their identification using an emerging generation of ion analysers. Overall objectives of the GIDPROvis-project are:
Gas Ion Distillation- to pre-fractionated mixtures of airborne volatile organic chemicals using ultra-fast, low energy technology developed in this FET Open Project.
Sequential Ion Processing- to identify chemicals (as ions from GID) using advances in extracting structural information from gas ions in air at ambient pressure.
Data Hub- to process live patterns of vapor composition and visualize chemicals (vis) as molecular auras. Humans can view molecular auras using user appropriate visuals and detail.
Our aim is to launch a fourth generation of methodology for chemical analysis aligned intrinsically to 5G and IoT communication with miniaturized, ultra-sensitive, live-data analysers to detect and identify chemicals in complex matrices.
Broad impacts in society are anticipated with human exploration of environments, air quality in urban and rural areas, in chemical processing industry, and in venues for security/safety.
Gas Ion Distillation- to pre-fractionated mixtures of airborne volatile organic chemicals using ultra-fast, low energy technology developed in this FET Open Project.
Sequential Ion Processing- to identify chemicals (as ions from GID) using advances in extracting structural information from gas ions in air at ambient pressure.
Data Hub- to process live patterns of vapor composition and visualize chemicals (vis) as molecular auras. Humans can view molecular auras using user appropriate visuals and detail.
Our aim is to launch a fourth generation of methodology for chemical analysis aligned intrinsically to 5G and IoT communication with miniaturized, ultra-sensitive, live-data analysers to detect and identify chemicals in complex matrices.
Broad impacts in society are anticipated with human exploration of environments, air quality in urban and rural areas, in chemical processing industry, and in venues for security/safety.
In WP1, three main achievements were i) a computational quantitative model which demonstrated gas ion distillation for the separation of a binary vapour mixture, ii) the completion of a fifth generation GID device, and iii) the first proof-of-concept measurements of GID with several binary mixtures using GID enhanced ion mobility spectrometer. A GID/mass spectrometer combination was used for mass analysis with a fourth generation embodiment.
In WP2 with the molecular identification of volatile organic compounds using sequential ion processing (SIPRO) of protonated monomers, there were technical and scientific achievements. In technology, signals from SIPRO analysers were successfully sent and received by the data hub of ATOS in Spain. The tandem ion mobility spectrometer with fragmenter (the SIPRO analyser) was used to mobility-isolate ions in a first stage, create field induced fragments ions is a second stage, and mobility analyse these ions in a third stage. A spectral library for volatile organic compounds was created using this concept for tandem mobility spectrometry. Another technical achievement was the construction of SIPRO analysers using methods suitable for low-cost, convenient fabrication.
A main and significant achievement occurred during the last year of the project with the overlap of efforts from WP3 (human response to chemical information) and WP4 (visualisation of chemical measurements). Knowledge from WP3 from interviews of the first year shaped the discussions and planning of how and what should be displayed for users of GIDPROvis capabilities. Software to present the effective space of GIDPROvis was developed and merged collaboratively between consortium members of WP3 and WP4. A strategy was crafted to visualise chemical information in stages of data, information, knowledge and wisdom at user appropriate levels of detail.
In WP5, discussions among consortium members were held in June 2022 in Helsinki to prepare for the field tests in summer 2023. Preliminary studies from the test arena with methyl salicylate and hand-held ion mobility spectrometers (from consortium member AirSense Analytics) were used to guide conversations on technical and logistic preparations for the field tests. A detailed schedule and chronology of pre-planning through 2022 and 2023 was prepared and forms the basis for deliverable 5.2. A demonstration of molecular auras using the combination of technologies of GIDPROvis occurred in Helsinki in May 2023 in both open field environments and closed spaces typical of indoor spaces.
A joint discussion among leaders of all Work Packages was held each month to consider project wide topics and meetings with individual Work Package leaders were held monthly to access progress and risks in each Work Package. An annual consortium-wide meeting on science and technology was held in Athens along with an Annual Science Workshop (Oct. 17-21, 2022) where early-stage researchers from the project and from outside the project were invited to present lectures or posters. Engagement with the Scientific Advisory Board occurred throughout the week and particularly with a special time for feedback on individual Work Packages (and their leaders).
Sustainability occurred with a presentation to students in their last year of high school from The American College in Greece-Pierce with special interests in science and technology. Two patent applications were filed one in Germany by Leibniz Universität Hannover and a second In Finland by University of Helsinki.
In WP2 with the molecular identification of volatile organic compounds using sequential ion processing (SIPRO) of protonated monomers, there were technical and scientific achievements. In technology, signals from SIPRO analysers were successfully sent and received by the data hub of ATOS in Spain. The tandem ion mobility spectrometer with fragmenter (the SIPRO analyser) was used to mobility-isolate ions in a first stage, create field induced fragments ions is a second stage, and mobility analyse these ions in a third stage. A spectral library for volatile organic compounds was created using this concept for tandem mobility spectrometry. Another technical achievement was the construction of SIPRO analysers using methods suitable for low-cost, convenient fabrication.
A main and significant achievement occurred during the last year of the project with the overlap of efforts from WP3 (human response to chemical information) and WP4 (visualisation of chemical measurements). Knowledge from WP3 from interviews of the first year shaped the discussions and planning of how and what should be displayed for users of GIDPROvis capabilities. Software to present the effective space of GIDPROvis was developed and merged collaboratively between consortium members of WP3 and WP4. A strategy was crafted to visualise chemical information in stages of data, information, knowledge and wisdom at user appropriate levels of detail.
In WP5, discussions among consortium members were held in June 2022 in Helsinki to prepare for the field tests in summer 2023. Preliminary studies from the test arena with methyl salicylate and hand-held ion mobility spectrometers (from consortium member AirSense Analytics) were used to guide conversations on technical and logistic preparations for the field tests. A detailed schedule and chronology of pre-planning through 2022 and 2023 was prepared and forms the basis for deliverable 5.2. A demonstration of molecular auras using the combination of technologies of GIDPROvis occurred in Helsinki in May 2023 in both open field environments and closed spaces typical of indoor spaces.
A joint discussion among leaders of all Work Packages was held each month to consider project wide topics and meetings with individual Work Package leaders were held monthly to access progress and risks in each Work Package. An annual consortium-wide meeting on science and technology was held in Athens along with an Annual Science Workshop (Oct. 17-21, 2022) where early-stage researchers from the project and from outside the project were invited to present lectures or posters. Engagement with the Scientific Advisory Board occurred throughout the week and particularly with a special time for feedback on individual Work Packages (and their leaders).
Sustainability occurred with a presentation to students in their last year of high school from The American College in Greece-Pierce with special interests in science and technology. Two patent applications were filed one in Germany by Leibniz Universität Hannover and a second In Finland by University of Helsinki.
Significant Discoveries during the 12-months Reporting Period
The most significant discoveries this past year were:
i) computational models that quantitatively demonstrated the phenomenon of Gas Ion Distillation for binary mixtures of volatile organic compounds. The models were derived from an earlier project accomplishment with a general model for ion-molecule reactions using gas phase protons. The model was also based on rate coefficients first measured in this project and highlighting an area of significant importance lacking empirical foundations. Impacts of these discoveries may occur in the design and development of ion sources for mass spectrometers and ion mobility spectrometers which are found in key applications for commercial aviation security and increasingly in clinical studies with diagnostic analysis of breath.
ii) proof-of-concept measurements were made using an embodiment of a GID device from modelling studies in Helsinki. Measurements were made using a GID-mass spectrometer and duplicated on a second GID-MS instrument. At the centre of the GIDPROvis concept is a capability of measuring substances amid mixtures following a pre-fractionation step using the selectivity of gas phase ionization reactions. The demonstration of GID establishes a new “chromatography” unlike any prior separation method with unprecedented speed, simplicity, convenience, and economy. The impact in analytical instrumentation for chemical measurements may be considerable and impact generally in industry may occur with improvements in air quality through routine advanced monitoring technologies.
iii) the creation of a unified approach to presenting findings from GIDPROvis where the discoveries of human understandings have shaped the graphics. These steps toward molecular augmented reality may have impacts in secure societies (e.g. first responders), in environmental quality, and in unstructured discoveries in the atmospheric world around us.
The most significant discoveries this past year were:
i) computational models that quantitatively demonstrated the phenomenon of Gas Ion Distillation for binary mixtures of volatile organic compounds. The models were derived from an earlier project accomplishment with a general model for ion-molecule reactions using gas phase protons. The model was also based on rate coefficients first measured in this project and highlighting an area of significant importance lacking empirical foundations. Impacts of these discoveries may occur in the design and development of ion sources for mass spectrometers and ion mobility spectrometers which are found in key applications for commercial aviation security and increasingly in clinical studies with diagnostic analysis of breath.
ii) proof-of-concept measurements were made using an embodiment of a GID device from modelling studies in Helsinki. Measurements were made using a GID-mass spectrometer and duplicated on a second GID-MS instrument. At the centre of the GIDPROvis concept is a capability of measuring substances amid mixtures following a pre-fractionation step using the selectivity of gas phase ionization reactions. The demonstration of GID establishes a new “chromatography” unlike any prior separation method with unprecedented speed, simplicity, convenience, and economy. The impact in analytical instrumentation for chemical measurements may be considerable and impact generally in industry may occur with improvements in air quality through routine advanced monitoring technologies.
iii) the creation of a unified approach to presenting findings from GIDPROvis where the discoveries of human understandings have shaped the graphics. These steps toward molecular augmented reality may have impacts in secure societies (e.g. first responders), in environmental quality, and in unstructured discoveries in the atmospheric world around us.