Periodic Reporting for period 1 - BioMat4CAST (BIOMAT4CAST - PETRU PONI INSTITUTE OF MACROMOLECULAR CHEMISTRY MULTI-SCALE IN SILICO LABORATORY FOR COMPLEX AND SMART BIOMATERIALS)
Période du rapport: 2022-12-01 au 2024-02-29
The primary goal of the BioMat4CAST Project is to catalyse and support high-quality research at the "P. Poni" Institute of Macromolecular Chemistry (ICMPP) by establishing a robust research group specializing in computational chemistry. To achieve this ambitious objective, the BioMat4CAST Management Team together with Prof. Aatto Laaksonen the ERA Chair holder, has agreed on a plan that prioritizes three key areas:
(i) BioMat4CAST Human Resource Management (WP2),
(ii) BioMat4CAST Research Management (WP3),
(iii) BioMat4CAST Sustainability Management (WP4).
Building upon this plan, a series of five work packages have been devised. While two of these packages focus on administrative tasks (WP1 – Management and WP5 – Dissemination and Communication), the remaining three are aligned closely with the proposed key areas: WP2 – Human Resource Management, WP3 – BioMat4CAST Research Project, and WP4 – BioMat4CAST Sustainability Management.
(i) BioMat4CAST Human Resource Management (WP2),
(ii) BioMat4CAST Research Management (WP3),
(iii) BioMat4CAST Sustainability Management (WP4).
Building upon this plan, a series of five work packages have been devised. While two of these packages focus on administrative tasks (WP1 – Management and WP5 – Dissemination and Communication), the remaining three are aligned closely with the proposed key areas: WP2 – Human Resource Management, WP3 – BioMat4CAST Research Project, and WP4 – BioMat4CAST Sustainability Management.
During the first reporting period (M1-M15) of the BioMat4CAST project the following three main goals were achieved:
1. The recruitment of the BioMat4CAST ERA Chair Holder – Prof. Dr. Aatto Laaksonen ( Deliverable No. 1.1 BioMat4CAST ERA Chair recruitment);
2. The setup of the BioMat4CAST main implementation tools: (a) Scientific and Management Plan (D2.1: BioMat4CAST Scientific and Management Strategy); (b) Dissemination and Communication Plan (see D5.2 BioMat4CAST Dissemination, Exploitation and Communication Plan); (c) Data Management Plan (see D3.1 Data Management Plan); (d) Sustainability Plan (D4.1 BioMat4CAST group Sustainability plan)
3. The recruitment and setup of the BioMat4CAST research group (Deliverable No. 2.2 Report on training and Human Resources Management 1).
Based on these achievements the BioMat4CAST group was created and started being fully operational during the first reporting period.
The first 15 months of the project's implementation involved important activities related to: (a) staff recruitment, (b) acquisition of IT equipment, materials and other assets needed for the newly created team and (c) the first trainings and (d) several other networking activities relevant for the new created group.
1. The recruitment of the BioMat4CAST ERA Chair Holder – Prof. Dr. Aatto Laaksonen ( Deliverable No. 1.1 BioMat4CAST ERA Chair recruitment);
2. The setup of the BioMat4CAST main implementation tools: (a) Scientific and Management Plan (D2.1: BioMat4CAST Scientific and Management Strategy); (b) Dissemination and Communication Plan (see D5.2 BioMat4CAST Dissemination, Exploitation and Communication Plan); (c) Data Management Plan (see D3.1 Data Management Plan); (d) Sustainability Plan (D4.1 BioMat4CAST group Sustainability plan)
3. The recruitment and setup of the BioMat4CAST research group (Deliverable No. 2.2 Report on training and Human Resources Management 1).
Based on these achievements the BioMat4CAST group was created and started being fully operational during the first reporting period.
The first 15 months of the project's implementation involved important activities related to: (a) staff recruitment, (b) acquisition of IT equipment, materials and other assets needed for the newly created team and (c) the first trainings and (d) several other networking activities relevant for the new created group.
1. Revealing the supramolecular interactions of the bis(azopyrenyl) dibenzo-18-crown-6-ether system, A. Coroaba, C. Al-Matarneh, T. Vasiliu, S.A. Ibanescu, R. Zonda, I. Esanu, D. L. Isac , M. Pinteala., Journal of Molecular Liquids, Volume 374, 15 March 2023, 121298,
https://doi.org/10.1016/j.molliq.2023.121298(s’ouvre dans une nouvelle fenêtre)
2. Molecular dynamics simulations reveal the hidden EF-hand of EF-SAM as a possible key thermal sensor for STIM1 activation by temperature.; A. Neamtu, Dragomir N. Serban, Greg J. Barritt, D. L. Isac, T. Vasiliu, A. Laaksonen, I. L. Serban; J. Biol. Chem. (2023) 299(8) 104970
https://doi.org/10.1016/j.jbc.2023.104970(s’ouvre dans une nouvelle fenêtre)
3. Conformational flexibility of spermidine3+ interacting with DNA double helix. Journal of Molecular Liquids, Perepelytsya, S., Vasiliu, T., Aatto Laaksonen., Engelbrecht, L. D. V., Brancato, G., Mocci, F. (2023). 389, 2023, 122828
https://doi.org/10.1016/j.molliq.2023.122828(s’ouvre dans une nouvelle fenêtre)
4. Synthetic approaches to novel human carbonic anhydrase isoforms inhibitors based on pyrrol-2-one moiety; C. M. Al-Matarneh, M. Pinteala, A. Nicolescu, M. Silion, F. Mocci, R. Puf, A. Angeli, M. Ferraroni, C. T. Supuran, S. Zara, S. Carradori, N. Paoletti, A. Bonardi, P. Gratteri, Journal of Medicinal Chemistry, 10.1021/acs.jmedchem.3c02190
5. New Library of Iodo-Quinoline Derivatives Obtained by an Alternative Synthetic Pathway and Their Antimicrobial Activity; C. M. Al-Matarneh, A. Nicolescu, I. C. Marinaş, M. D. Găboreanu, S. Shova, A. Dascălu, M. Silion, M. Pinteală; Molecules 2024, 29, 772. https://doi.org/10.3390/molecules29040772(s’ouvre dans une nouvelle fenêtre)
https://doi.org/10.1016/j.molliq.2023.121298(s’ouvre dans une nouvelle fenêtre)
2. Molecular dynamics simulations reveal the hidden EF-hand of EF-SAM as a possible key thermal sensor for STIM1 activation by temperature.; A. Neamtu, Dragomir N. Serban, Greg J. Barritt, D. L. Isac, T. Vasiliu, A. Laaksonen, I. L. Serban; J. Biol. Chem. (2023) 299(8) 104970
https://doi.org/10.1016/j.jbc.2023.104970(s’ouvre dans une nouvelle fenêtre)
3. Conformational flexibility of spermidine3+ interacting with DNA double helix. Journal of Molecular Liquids, Perepelytsya, S., Vasiliu, T., Aatto Laaksonen., Engelbrecht, L. D. V., Brancato, G., Mocci, F. (2023). 389, 2023, 122828
https://doi.org/10.1016/j.molliq.2023.122828(s’ouvre dans une nouvelle fenêtre)
4. Synthetic approaches to novel human carbonic anhydrase isoforms inhibitors based on pyrrol-2-one moiety; C. M. Al-Matarneh, M. Pinteala, A. Nicolescu, M. Silion, F. Mocci, R. Puf, A. Angeli, M. Ferraroni, C. T. Supuran, S. Zara, S. Carradori, N. Paoletti, A. Bonardi, P. Gratteri, Journal of Medicinal Chemistry, 10.1021/acs.jmedchem.3c02190
5. New Library of Iodo-Quinoline Derivatives Obtained by an Alternative Synthetic Pathway and Their Antimicrobial Activity; C. M. Al-Matarneh, A. Nicolescu, I. C. Marinaş, M. D. Găboreanu, S. Shova, A. Dascălu, M. Silion, M. Pinteală; Molecules 2024, 29, 772. https://doi.org/10.3390/molecules29040772(s’ouvre dans une nouvelle fenêtre)