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A web-platform interfaced software for spectroscopic molecular characterization and early diagnosis of Parkinson's disease

Project description

Identification of Parkinson’s disease biomarkers

Raman spectroscopy is an analytical technique that provides information on the chemical structure of molecules as well as their interactions. It employs monochromatic light and offers a structural fingerprint unique to different molecules. Funded by the European Research Council, the SEMISOFT project aims to develop a web platform for analysing Raman spectra in a simplified manner. Using machine learning, researchers will make this computational tool suitable for biological applications, for example, to identify biomarkers of Parkinson’s disease in human saliva. The generated tool will find other spectroscopy applications in the fields of materials and chemical sciences.

Objective

The goal of this proposal is the production of the SEMISOFT software and an associate web platform for spectroscopic molecular characterization and early diagnosis of Parkinson’s disease. SEMISOFT will be designed to decipher complex IR/Raman spectra which are currently hampering development of new clinical protocols and other technological advances. This will be achieved upon implementation of the innovative semiclassically approximate quantum dynamics methods, developed in the parent ERC-CoG SEMICOMPLEX project, which allow for a simplification of complex spectra and unprecedented quantum mechanical accuracy. To further increase the level of accuracy in SEMISOFT simulations, a new machine-learning based force field for biological systems will be developed and incorporated in the software.
The SEMISOFT web platform will be accessible to non-expert users from any browser without desktop installation and based on a flexible drop-down menu instructing the user step by step. The user will be able to reproduce IR/Raman spectra and identify molecular species in gas, liquid, or solid state. The web platform will find immediate application in a “freemium” version thanks to an industrial partner laboratory whose goal is to find biomarkers of Parkinson’s disease in human saliva. This pilot test will allow the team to tune the web platform for future commercialization.
An analysis of economic, social and market prospects will be performed to define a value proposition and an appropriate business model, by comparing the feasibility and relative impact of licensing, paid access through a user account, and spin-off. The definition of an appropriate intellectual property protection strategy will be also part of the project. SEMISOFT is expected to have a long-term impact too. Raman and related spectroscopies are widespread in laboratories for chemical characterization and this computational tool will boost spectroscopy applications in material, physics and chemical sciences.

Fields of science (EuroSciVoc)

Programme(s)

Topic(s)

Funding Scheme

HORIZON-ERC-POC - HORIZON ERC Proof of Concept Grants

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Call for proposal

(opens in new window) ERC-2022-POC2

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Host institution

UNIVERSITA DEGLI STUDI DI MILANO
Net EU contribution
€ 123 000,00
Address
Via Festa Del Perdono 7
20122 Milano
Italy
Region
Nord-Ovest Lombardia Milano
Activity type
Higher or Secondary Education Establishments
Links
Total cost
No data

Beneficiaries (2)