SERSing - Surface Enhanced Raman Spectroscopy

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Detecting chemical hazards

The ability to rapidly detect and identify chemical hazards would be enormously valuable for first responders dealing with the aftermath of accidents and industrial leaks. We spoke to Dr Damir Asoli about the work of the SERSing project in developing a low-weight, handheld device to identify chemical hazards at low concentrations.

An industrial accident or terrorist attack can lead to the leak of hazardous chemical substances into public places, which may represent a significant threat to the health of first responders and people in the surrounding area. The ability to rapidly identify the nature of a threat would help first responders deal with it effectively, an issue central to the EU-funded SERSing project. “First responders have to come to the scene of an industrial accident or terrorist attack and find out what the threat is,” says Dr Damir Asoli, a member of the project management group. The project brings together nine partners from across Europe to develop devices to detect and identify chemical hazards, focusing on five nerve agents in particular. “In the project we are mainly looking at A-234 (Novichok), Tabun, VX, hydrogen cyanide, hydrogen sulfide and sarin,” outlines Dr Asoli. “Some of these chemical hazards are in the liquid phase, while others are in the gas phase.”

SERSing project

The project team is working to develop portable, low-weight handheld SERS-based (Surface Enhanced Raman Spectroscopy) devices to detect and identify these chemical hazards, which would be much easier to use than the often cumbersome detectors used today. The device itself is a little bigger than a human hand, with a washer and a nanostructured silver or gold substrate in the middle, which is the active part. “The washer is there solely for handling purposes. A first responder at the scene of an accident would collect an extremely small amount of liquid in a bottle – typically we use 2 microlitres – then put it over the active area of the device, which is the substrate,” explains Dr Asoli. An optical phenomenon called localized surface plasmon resonance (LSPR) is used to amplify the Raman scattering signal from molecules, which in practice involves (1) depositing analyte on the substrate, (2) sending light from the device to the substrate, (3)

collecting and analysing the Raman scattered light “We typically use a 785 nanometre laser wavelength to detect and identify relevant compounds,” continues Dr Asoli.

Under the right conditions, a strong SERS signal can be generated, which allows even trace detection of analytes, i.e. detection at an extremely low analyte concentration level. In addition, each compound displays a specific Raman ‘fingerprint’ spectrum, which means that sample identification can be performed within minutes. Typical SERS substrates are nanostructured silver or gold, which display favourable optical properties in the visible and near-infrared spectral regions. One key requirement is that analyte molecules need to be located very close to the nanostructured metal surface, or preferably adsorbed on the metal surface. Dr Asoli says that the SERS substrates can also be functionalised to get a better response in cases where molecules don’t stick to the metal surface. “You can

Field trials with end-users at SUJCHBO.

functionalise the surface of gold with some add-ons, so that it picks up certain molecules,” he outlines. Several add-ons have been developed in the project for gas sensing, which Dr Asoli says is a major technical challenge.

“It’s very difficult to make SERS measurements of hazards in gas phase. You have to attract gas to the substrate before you can measure it, which is the tricky part,” he acknowledges.

“We have developed an add-on gas cell which can attract molecules to the device, then we can use established principles in detection.”

The project team have demonstrated the ability to detect hydrogen cyanide in the gas phase, based on the same SERS principles, one of the two research paths that is being followed in the project alongside liquid sensing. Researchers are now working to improve and refine the device further, with Dr Asoli and his colleagues at Silmeco focusing on the substrate, while other partners are contributing in different ways.

“We are developing different elements in the project, including highly innovative chips and AI algorithms, and then combining it in a handheld device,” he says. The project team are also looking to assess the effectiveness of the device, and field tests have recently been

conducted in the Czech Republic. “We spent a full day on liquid sensing, and one full day on gas sensing,” continues Dr Asoli. “For liquid testing, for example, we were able to detect A-234 (Novichok) at lower concentrations than with conventional Raman spectroscopy.”

Helping first responders

This ability to rapidly identify chemical hazards would be enormously valuable to

typically take a sample, which is then sent on for further analysis; Dr Asoli says the SERSing device would work much quicker. “The first responders will have their own hand-held device. They would be able to take a sample of the liquid chemical hazard, and then do the testing immediately,” he stresses. “The handheld gas cell is also extremely easy to use. You can do the sampling, and take measurements within minutes.”

“We spent a full day on liquid sensing, and one full day on gas sensing For liquid testing, for example, we were able to detect A-234 (Novichok) at lower concentrations than with conventional Raman spectroscopy.”

first responders such as firefighters, who may be exposed to dangerous substances when dealing with the aftermath of an accident or industrial leak. “First responders may have to deal with different types of chemical and biological agents. If there is a leak of hazardous substances at the site of an accident, it can be difficult to identify what it is,” says Dr Asoli. Currently first responders arriving at the scene of an industrial leak

The device also offers several other benefits in comparison to existing technologies. It is more sensitive and provides results much quicker than other technologies, while it is also relatively cost-effective, which is always an important consideration. “The other technologies commonly in use in this area are highly expensive, whereas the SERSing device is relatively cheap.” says Dr Asoli. The next step is to develop the devices further and

AI Sense

The SERSING project brings together partners from across Europe to pursue several different strands of research, with the shared goal of developing a new device capable of detecting chemical hazards, even at low concentrations.

One important part of the project centres around developing new AI techniques to analyse SERS spectra. We spoke to Tommy Sonne Alstrøm, Associate Professor in the Department of Applied Mathematics and Computer Science at the Technical University of Denmark (DTU) about his work in using the power of AI to detect, identify and monitor chemical hazards.

EU Researcher: What is your role in the SERSING project?

Professor Tommy Sonne Alstrøm: We have been tackling the identification of the SERS spectra in a new way. We started off by looking for open data sets similar to those that we expected to get from hazardous environments.

Then we worked to develop an artificial neural network that could do what we call spectrum matching. When we detect an analyte, we then match it to a library using a neural network to determine what it is. The neural network then computes a similarity score, relating what we are measuring to what we have in our library.

EUR: These are surface enhanced raman spectroscopy measurements?

TA: Yes, and with SERS you don’t measure one spectrum, rather you measure an array of spectra. For a specific substrate we may get 1,000 spectra, and we then need to figure out what they are. As the substrate has been exposed to the same environment, it needs to be analysed as a whole. We have developed a new technique, based on a vision

transformer, that takes a complete Raman map from a SERS substrate, then looks at all the spectra simultaneously. We can then look to identify what we are measuring. We have tuned the technology in different ways, depending on the user requirements, using a method called conformal prediction to provide a probability score.

EUR: Could these techniques also be applied in other areas?

TA: Yes, a lot of these detection techniques can be used in many different areas. I have previously used these techniques for example on detecting narcotics and measuring water quality. These may seem very different applications to checking whether or not a substance is a nerve gas, but from a data processing perspective, they’re actually quite similar.

EUR: Is data security a bigger concern however when it comes to the techniques used to detect chemical hazards?

TA: Yes, as a lot of the users of this technology will be law enforcement agencies who don’t want to share data. We have looked at how we can actually train these algorithms in a way that avoids sharing data via the cloud.

It’s possible to measure one compound at one site, and have spectrometers in other locations measuring something else. We are able to learn how SERS substrates will respond in both situations, which is very valuable from an AI perspective, even though we don’t share data.

make them more user-friendly, with a view to their future application by first responders.

“The concept and the devices are sound, we know that they work. Now it’s about making an attractive product,” continues Dr Asoli.

“We are exploring other possible sources of funding to look into commercialising the gas cell, as we see there is a lot of interest in this area. When we attend conferences we often speak to first responders who tell us they are keen to see an effective gas cell.”

This work is still in progress, while researchers are also considering other chemical hazards beyond the five which are the focus of attention in SERSing. While Dr Asoli and his colleagues in the project have not been able to get access to a comprehensive set of nerve agents, the devices could in principle be used to detect different hazards.

“If you have access to these gases or liquids then you can build a library, and then you can detect them,” he says.

SERSing

Surface Enhanced Raman Spectroscopy

Project Objectives

The ability to rapidly detect and identify chemical hazards is enormously valuable to first responders, who may be exposed to dangerous substances during their work. The EU-funded SERSing project aims to meet this need by developing a reliable, ultrasensitive lab-on-chip technology capable of identifying different chemical hazards even at low concentrations.

Project Funding

This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 883390.

Project Partners

https://sersing.eu/Team/

Contact Details

Damir Asoli

Project Manager

Silmeco ApS

T: +46 736 79 36 19

E: damir.asoli@silmeco.com

E: sersing@catalyze-group.com

W: https://sersing.eu/

Asoli

Damir Asoli is one of Silmeco’s central pillars in the Project Management Group for SERSing and is primarily responsible for the R&D development and fabrication of SERS substrates.

Christopher Kruger is a Science Communication Advisor at Catalyze and focuses on maximizing the engagement of SERSing’s stakeholders to ensure that technological developments result in real-world application.

Tommy Sonne Alstrøm’s research focus is on new AI models with application to two application areas: spectroscopy and time series. In SERSing, we are developing deep-learning methods for the detection of hazardous materials.

Damir
Christopher Kruger
Tommy Sonne Alstrøm
Field trials with end-users at SUJCHBO.

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