Scientific Program

July17

11:00

Opening of Registration

14:00-14:15

Room 6.1.36

Opening Session

Manuel Minas da Piedade (Conference Chair)

Jorge Parola (General Secretary of SPQ)

14:15-15:00

PL1 Room 6.1.36

Gérard Coquerel

Université de Rouen Normandie

Controlled and spontaneous symmetry breaking by means of crystallization

Chairperson: Ermelinda Eusébio

Room 6.1.36

Chairperson: Filomena Martins

Room 6.2.53

Chairperson: João Paulo Leal

15:10-15:25

OC.1.1 Enthalpic mapping of anthranilate and cinnamate derivatives: An experimental and computational approach

Vera L.S. Freitas

OC.2.1 Reactivity patterns in the decomposition of fullerene derivatives via the retro-Diels-Alder reaction

Carlos F.R.A. Costa Lima

15:25-15:40

OC.1.2 Thermodynamic study of polymorphism in the nicotinamide+adipic acid co-crystal system

Inês Feliciano

OC.2.2 Supramolecular catalysis of diazocine isomerization

Miriam Colaço

15:40-15:55

OC.1.3 For hydrophobic free energy (HFE) of linear alkylic molecules, not only size matters

Jorge Martins

OC.2.3 Assessment of the mobility and fate of halogenated substituted benzonitriles and benzaldehydes

Bruno D.A. Pinheiro

15:55-17:40

Poster Session and coffee

17:40-18:10

KL1 Room 6.1.36

Mara Freire

Universidade de Aveiro

Ionic liquids, water and proteins: Favorable vs. competitive interactions to design separation processes

Chairperson: José Nuno Lopes

Room 6.1.36

Chairperson: Paulo Fialho

Room 6.2.53

Chairperson: Jorge Martins

18:15-18:30

OC.1.4 Enhanced cancer biomarker detection in microfluidic devices using ionic liquid-based aqueous biphasic systems for serum pretreatment

Maria S.M. Mendes

OC.2.4 Exploring coumarin-3-carboxamide derivatives as fluorescent metal cation detectors

Liliana Gomes

18:30-18:45

OC.1.5 Thermodynamics of cation-fluorinated ionic liquids

Rodrigo M.A. Silva

OC.2.5 Optimizing vapor deposition of pentacene for inverted perovskite solar cells

Artur F. M. Farinha

18:45-19:00

OC.1.6 Thermal conductivity of ionic liquids - A reappraisal

Carlos A. Nieto de Castro

OC.2.6 Seeking new low temperature energy storage systems: n-alkanes as phase change materials

Maria C.M. Sequeira

July 18

9:30-10:15

PL2 Room 6.1.36

Ana Aguiar-Ricardo

Universidade Nova de Lisboa

Empowering sustainable development with supercritical CO2 technologies

Chairperson: Luís Belchior Santos

Room 6.1.36

Chairperson: Ricardo Castro

Room 6.2.53

Chairperson: Karina Shimizu

10:25-10:40

OC.1.7 Extraction of proteins from Tenebrio molitor flour using deep eutectic solvents

Güliz Akyüz

OC.2.7 Modeling CO2 electrochemical reduction in porous cathodes for liquid-phase electrolyzers

Inês S. Fernandes

10:40-10:55

OC.1.8 Improving niraparib’s solubility using a deep eutectic solvent as a drug delivery system

Pedro Xavier

OC.2.8 Studying the hydrogen combustion in carbon nanotubes

João Brandão

10:55-11:10

OC.1.9 Varnishes? Paints? Why use toxic solvents in their formulation when there are eutectic systems?

Cláudio C. Fernandes

OC.2.9 Experimental and theoretical insight into structural, energetic and electronic properties of 4-MPy adsorption onto zinc chalcogenide-based substrates

Joana R.S. Figueiredo

11:10-11:30

Coffee Break

Room 6.1.36

Chairperson: Manuela Silva

Room 6.2.53

Chairperson: Jorge Marques

11:30-11:45

OC.1.10 Chitosan and naphthaldehydes derivatives composites: adsorptive remove of tetracycline from water

Joana F.M. Sousa

OC.2.10 A robust method for property prediction via artificial neural networks: incorporating key structural features for carbon dioxide-ionic liquid mixtures

Hugo Marques

11:45-12:00

OC.1.11 Sputtering of silver in thin films of long-chain imidazolium-based ionic liquids: An efficient approach to metal nanoparticle stabilization

Alexandre C.P.M. Alves

OC.2.11 Making sense of data: Intelligible machine learning analytics for VOC vaporization enthalpy prediction

José Ferraz-Caetano

12:00-12:15

OC.1.12 Triazine porous organic polymers for simultaneous removal and sensing of antibiotics in water

Pedro M. Cruz Matias

OC.2.12 A combined structural, spectroscopic, and theoretical investigation of a water-soluble Schiff base: stability and enol-imine/keto-enamine tautomerism

Hajer Bouznif

12:20 12:50

KL2 Room 6.1.36

Manuela Pereira

Universidade de Lisboa

Energy transduction by biological systems

Chairperson: Margarida Bastos

12:50-14:15

Lunch

14:15-15:00

PL3 Room 6.1.36

Eduardo Marques

Universidade do Porto

Self-assembled colloids: When physical chemistry

interfaces with nanomedicine and nanomaterials

Chairperson: Cristóvão de Sousa Dias

15:00–15:10

SP1 Sponsor presentation – PARALAB

Chairperson: Cristóvão de Sousa Dias

Room 6.1.36

Chairperson: Rosa Perestrelo

Room 6.2.53

João Brandão

15:15-15:30

OC.1.13 MALDI-TOF MS-based urinary peptidomics biosignature of breast cancer as a powerful approach for diagnosis

Patrícia Sousa

OC.2.13 Halogen anisotropy in solvation and membrane permeability: implications for protein-ligand binding and drug efficiency

Andreia Fortuna

15:30-15:45

OC.1.14 Metrological study on a relationship between salinity and surface tension of buffered artificial seawaters

Marta Serra

OC.2.14 Eutectic mixture formation and relaxation dynamics of co-amorphous mixtures of two antifungal imidazole drugs

Wahi Noor

15:45-16:00

OC.1.15 Volatilomic fingerprint of grape pomace as a sustainable approach for its valorization

Teresa Abreu

OC.2.15 Structural criterion for the onset of rigidity in a colloidal gel

Cristóvão de Sousa Dias

16:00-17:10

Poster Session and coffee

17:10-17:40

KL3 Room 6.1.36

Sérgio Melo

Universidade de Coimbra

Bright and dark molecules: A photophysical journey

Chairperson: Jorge Parola

Room 6.1.36

Chairperson: Tito Trindade

Room 6.2.53

Chairperson: Nuno Bandeira

17:45-18:00

OC.1.16 Exploring the 19F NMR and photoluminescence of fluorinated dendrimers for gene delivery

Lydia dos Orfãos

OC.2.16 Open subsystem-based partition of molecular energies into resonance structure-resolved contributions

Diogo José Lopes Rodrigues

18:00-18:15

OC.1.17 Exploring the kinetic and thermodynamic stability of photoresponsive cucurbituril-dithienylethene inclusion complexes

Nuno Basílio

OC.2.17 Computational venom whispering to decode molecular insights of bee and snake-secreted phospholipases A2

Joana Ribeiro da Silva

18:15-18:30

OC.1.18 Properties of proton and metal-ion bound to PAMAM dendrimer primary and tertiary amines

Duarte Fernandes

OC.2.18 Unveiling pesticide interactions: Insights from the Aplysia californica AChBP-imidacloprid complex

Joana R.S. Santos

18:35

Room 6.2.53

Meeting of the SPQ Physical-Chemisty Division

19:30

Dinatoire

July 19

9:30-10:15

PL4 Room 6.1.36

Chiara Cappelli

University of Pisa

Multiscale modeling of complex systems: from solvation to nanoplasmonics

Chairperson: Alexandre Magalhães

Room 6.1.36

Chairperson: Ricardo Franco

Room 6.2.53

Chairperson: João Paulo Ramalho

10:25-10:40

OC.1.19 A new road to discover ABC transporter modulators

Daniel J.V.A. dos Santos

OC.2.19 HO2* stabilization in the presence of argon

César Mogo

10:40-10:55

OC.1.20 Constrained transition state randomization: A general transition state sampling method for bimolecular reactions

Luís P. Viegas

OC.2.20 Beyond DFT: Tackling the strong correlation problem in noble gas chemistry

Nuno A. G. Bandeira

10:55-11:10

OC.1.21 How cucurbit[7]urils allow the formation of a highly stable and stimuli responsive hexacationic flavylium-based quaternary rotaxane

André Seco

OC.2.21 Investigation of the IVR isomerization of nitrous acid

Leonardo José Duarte

11:10-11:30

Coffee Break

11:30-12:00

KL4 Room 6.1.36

António José Candeias

Universidade de Évora

For nothing is secret that will not be revealed, nor anything hidden that will not be known and come to light … or when Science meets Art

Chairperson: Rui Fausto

12:00

Awards and Closing Session