Publications & Conferences
Peer-reviewed Papers
F.J.A.L. Cruz and J.P.B. Mota, "Partial Denaturation of Double-Stranded DNA on Pristine Graphene under Physiological-like Conditions", Liquids 2023, 3, 168.
F.J.A.L. Cruz and J.P.B. Mota, "Structure and Thermodynamics of Empty Clathrate Hydrates below the Freezing Point of Water", Phys. Chem. Chem. Phys. 2021, 23, 16033.
F.J.A.L. Cruz and J.P.B. Mota, "Equilibrium and Transport Distributions of a DNA Dodecamer in Hydrophilic Nanopores", Materials Today: Proceedings 2020, 20, 249.
F.J.A.L. Cruz, Saman Alavi, J.P.B. Mota, "Low-temperature Thermodynamic Study of the Metastable Empty Clathrate Hydrates using Molecular Simulations", ACS. Earth Space Chem. 2019, 3, 789.
F.J.A.L. Cruz and J.P.B. Mota, "Dynamics of B-DNA in Electrically Charged Solid Nanopores", J. Phys. Chem. C 2017, 121, 16568.
F.J.A.L. Cruz and J.P.B. Mota “Encapsulation of Nucleic Acids in Carbon Nanotubes: Thermodynamics and Kinetics” QUÍMICA 2017, 41, 107.
F.J.A.L. Cruz and J.P.B. Mota, "Conformational Thermodynamics of DNA Strands in Hydrophlic Nanopores", J. Phys. Chem. C 2016, 120, 20357.
R.P.P.L. Ribeiro, B.C.R. Camacho, A. Lyubchyk, I.A.A.C. Esteves, F.J.A.L. Cruz, J.P.B. Mota, "Experimental and computational study of ethane and ethylene adsorption in the MIL-53(Al) metal organic framework", Micro. Meso. Materials 2016, 230, 154.
F.J.A.L. Cruz, J.J. de Pablo, J.P.B. Mota, "Nanoscopic Characterization of DNA within Hydrophobic Pores: Thermodynamics and Kinetics", Biochem. Eng. J. 2015, 104, 41.
F.J.A.L. Cruz, J.J. de Pablo, J.P.B. Mota, "Endohedral Confinement of a DNA Dodecamer onto Pristine Carbon Nanotubes and the Stability of the Canonical B Form", J. Chem. Phys. 2014, 140, 225103.
F.J.A.L. Cruz, J.J. de Pablo, J.P.B. Mota, "Free Energy Landscapes of the Encapsulation Mechanism of DNA Nucleobases onto Carbon Nanotubes", RSC Advances 2014, 4, 1310.
F.J.A.L. Cruz, I.A.A.C. Esteves, S. Agnihotri, J.P.B. Mota, “Adsorption Equilibria of Light Organics on Single-Walled Carbon Nanotube Heterogeneous Bundles: Thermodynamical Aspects”, J. Phys. Chem. C 2011, 115, 2622.
A. Lyubchyk, I.A.A.C. Esteves, F.J.A.L. Cruz, J.P.B. Mota, "Experimental and Theoretical Studies of Supercritical Methane Adsorption in the MIL-53(Al) Metal Organic Framework", J. Phys. Chem. C 2011, 115, 20628.
F.J.A.L. Cruz, E.A. Müller, J.P.B. Mota, "The Role of the Intermolecular Potential on the Dynamics of Ethylene Confined in Cylindrical Nanopores", RSC Advances 2011, 1, 270.
F.J.A.L. Cruz, I.A.A.C. Esteves, J.P.B. Mota, “Adsorption of Light Alkanes and Alkenes onto Single-Walled Carbon Nanotube Bundles: Langmuirian Analysis and Molecular Simulations”, Coll. Surf. A 2010, 357, 43.
F.J.A.L. Cruz, I.A.A.C. Esteves, J.P.B. Mota, S. Agnihotri, E.A. Müller, “A Molecular Simulation Study of Propane and Propylene Adsorption onto Single-Walled Carbon Nanotube Bundles”, J. Nanosci. Nanotechnol.2010, 10, 2537.
F.J.A.L. Cruz, J.P.B. Mota, “Thermodynamics of Adsorption of Light Alkanes and Alkenes in Single-walled Carbon Nanotube Bundles”, Phys. Rev. B 2009 79 165426.
I.A.A.C. Esteves, F.J.A.L. Cruz, E.A. Müller, S. Agnihotri, J.P.B. Mota, “Determination of the Surface Area and Porosity of Carbon Nanotube Bundles From a Langmuirian Analysis of Sub- and Supercritical Physisorption Data”, Carbon 2009, 47, 948.
F.J.A.L. Cruz, E.A. Müller, “Behavior of Ethylene and Ethane within Single-Walled Carbon Nanotubes. 2- Dynamical Properties”, Adsorption 2009, 15, 13.
F.J.A.L. Cruz, E.A. Müller, “Behavior of Ethylene and Ethane within Single-Walled Carbon Nanotubes. 1- Adsorption and Equilibrium Properties”, Adsorption 2009, 15, 1.
F.J.A.L. Cruz, J.N. Canongia Lopes, J.C.G. Calado, “Molecular Dynamics Simulations of Monoclinic Calcium Apatites: A Universal Equation of State”, Fluid Phase Eq. 2007, 253, 142
F.J.A.L. Cruz, M.E. Minas da Piedade, J.C.G. Calado, “Standard molar enthalpies of formation of hydroxy-, chlor-, and bromapatite”, J. Chem. Thermodyn. 2006, 38, 938.
F.J.A.L. Cruz, J.N. Canongia Lopes, J.C.G. Calado, “A molecular dynamics study of the thermodynamic properties of calcium apatites. 2 – Monoclinic”, J. Phys. Chem. B 2006, 110, 4387.
F.J.A.L. Cruz, J.N. Canongia Lopes, J.C.G. Calado, “Molecular Dynamics Simulations of Molten Calcium Hydroxyapatite”, Fluid Phase Eq. 2006, 241, 51.
F.J.A.L. Cruz, J.N. Canongia Lopes, M.E. Minas da Piedade, J.C.G. Calado, “A molecular dynamics study of the thermodynamic properties of calcium apatites. 1 – Hexagonal phases”, J. Phys. Chem. B 2005, 109, 24473.
F.J.A.L. Cruz, J.N. Canongia Lopes, M.E. Minas da Piedade, J.C.G. Calado, “Synthesis, structure, energetics, and simulation of bromapatite”, Mem. Lisbon Acad. Sci. 2005 17th March.
F.J.A.L. Cruz, M.E. Minas da Piedade, J.C.G. Calado, “Standard molar enthalpies of formation of hydroxy-, chlor-, and bromapatite”, J. Chem. Thermodyn. 2005, 37, 1061.
Oral Communications
F.J.A.L. Cruz and J.P.B. Mota, “Structure and Thermodynamics of Empty Clathrate Hydrates bellow the Freezing Point of H2O”, 14th Int. Chem. Bio. Eng. Conference, Bragança, Portugal, September 2023.
F.J.A.L. Cruz and J.P.B. Mota, “Equilibrium and Transport Distributions of DNA in Hydrophilic Nanopores”, 41st Iberian Adsorption Meeting, Gijón, Spain, September 2018.
F.J.A.L. Cruz and J.P.B. Mota, “Thermodynamics and Kinetics of DNA in Hydrophilic Nanopores”, 11th International conference on Advanced Nanomaterials, Aveiro, Portugal, July 2018.
F.J.A.L. Cruz and J.P.B. Mota, “Equilibrium and Transport Distributions of DNA in Hydrophilic Nanotubes”, XIII Physical-Chemistry National Meeting, Faro, Portugal, June 2018.
F.J.A.L. Cruz and J.P.B. Mota, “Thermodynamics and Kinetics of DNA in Hydrophilic Nanopores”, NanoPT 2017, Porto, Portugal, February 2017.
R.P.P.L. Ribeiro, B.C.R. Camacho, A. Lyubchyk, I.A.A.C. Esteves, F.J.A.L. Cruz, J.P.B. Mota, “Experimental and computational study of ethane and ethylene adsorption in the MIL-53(Al) metal organic framework”, E-MRS 2016 Fall Meeting, Warsaw, Poland, September 2016.
F.J.A.L. Cruz and J.P.B. Mota, “Conformational Thermodynamics of DNA Strands Within Electrically Charged Nanopores”, 2015 AIChE Annual Meeting, Salt Lake City, U.S.A., November 2015.
Rui R.P. Ribeiro, Bárbara Camacho, Andriy Lyubchyk, Isabel A.A.C. Esteves, F.J.A.L. Cruz, J.P.B. Mota, “Ethane and Ethylene Adsorption on MIL-53(Al): Experiments and Molecular Simulations”, 2015 AIChE Annual Meeting, Salt Lake City, U.S.A., November 2015.
F.J.A.L. Cruz and J.P.B. Mota, "Thermodynamics of DNA Strands Encapsulated into Electrically Charged Nanotubes", NanoPT 2015, Porto, Portugal, February 2015.
F.J.A.L. Cruz, J.J. de Pablo, J.P.B. Mota, “Nanoscale Confinement of B-DNA into Hydrophobic Pores”, 12th International Chemical and Biological Engineering Conference, Porto, Portugal, September 2014.
F.J.A.L. Cruz, J.P.B. Mota, J.J. de Pablo, “Confinement of a DNA Dodecamer onto Pristine Carbon Nanotubes and the Stability of the Canonical B Form”, 2013 AIChE Annual Meeting, San Francisco, U.S.A., November 2013.
F.J.A.L. Cruz, J.P.B. Mota, J.J. de Pablo, “Encapsulation Mechanism of DNA Nucleobases onto Carbon Nanotubes: Free energy Landscapes”, 2012 AIChE Annual Meeting, Pittsburgh, U.S.A., October 2012.
F.J.A.L. Cruz, E.A. Müller, J.P.B. Mota, "The Role of the Intermolecular Potential on the Dynamics of Ethylene Confined in Cylindrical Nanopores", 2012 AIChE Annual Meeting, Pittsburgh, U.S.A., October 2012.
A.I. Lyubchyk, I.A.A.C. Esteves, F.J.A.L. Cruz, J.P.B. Mota "Simulated and Experimental Adsorption Equilibria of Light Alkanes In MIL-53(Al) Metal-Organic Framework" , 11th AIChE Annual Meeting, Minneapolis, U.S.A., October 2011.
F.J.A.L. Cruz, E.A. Müller, J.P.B. Mota, "Dynamics of C2H4 Confined in Cylindrical Nanopores: Influence of Force Field Coarse-graining", Thermodynamics 2011, Athens, Greece, September 2011.
F.J.A.L. Cruz, E.A. Müller, J.P.B. Mota, “Adsorption Thermodynamics of Light Organics in Single-walled Carbon Nanotube Bundles”, 10th International Conference on Fundamentals of Adsorption, Hyogo, Japan, May 2010.
F.J.A.L. Cruz, I.A.A.C. Esteves, J.P.B. Mota “Adsorption of Light Alkanes and Alkenes onto Single-Walled Carbon Nanotube Bundles: Langmuirian Analysis and Computer Simulations.”, 5th International Workshop “Characterization of Porous Materials: from Angstroms to Millimeters”, New Brunswick, U.S.A., June 2009.
I.A.A.C. Esteves, F.J.A.L. Cruz, S. Agnihotri, E.A. Müller, J.P.B. Mota, “Langmuirian Analysis of Sub- and Super-critical Adsorption Data of Gases on Carbon Nanotubes”, 5th Pacific Basin Conference on Adsorption Science and Technology, Singapore, Republic of Singapore, May 2009.
F.J.A.L. Cruz, E.A. Müller “Equilibrium and Transport Properties of Small Alkanes and Alkenes Confined in Single-Walled Carbon Nanotubes”, Nanospain 2008, Braga, Portugal, April 2008.
F.J.A.L. Cruz, E.A. Müller, “Diffusive Behaviour and Separation of Ethane/Ethylene Binary Mixtures in Carbon Nanotubes”, Carbon 2007, Seattle, U.S.A, July 2007.
F.J.A.L. Cruz, “Synthesis, structure and energetics of the hexagonal phases of calcium apatites”, Structural Chemistry Centre, Instituto Superior Técnico, Lisbon, Portugal, May 2005.
F.J.A.L. Cruz, J.N. Canongia Lopes, M.E. Minas da Piedade, J.C.G. Calado, “Synthesis, structure, energetics and simulation of bromapatite”, Lisbon Academy of Sciences, Portugal, March 2005.
Posters & Symposia
F.J.A.L. Cruz and J.P.B. Mota, “A Molecular Simulation Study of the Structure and Thermodynamics of Empty Clathrate Hydrates bellow the Freezing Point of H2O”, 14th Int. Chem. Bio. Eng. Conference, Bragança, Portugal, September 2023.
F.J.A.L. Cruz, S. Alavi, J.P.B. Mota, “Low-temperature Thermodynamic Study of the Empty Clathrate Hydrates”, XXVI National Meeting of the Portuguese Chemical Society, Porto, Portugal, July 2019.
R.P.P.L. Ribeiro, I.A.A.C. Esteves, F.J.A.L. Cruz, J.P.B. Mota, “[Zn(dcpa)] and [Co3(ndc)3(dabco)] Metal-Organic Frameworks for Gas Adsorption Applications”, 2nd European Conference on Metal-Organic Frameworks and Porous Polymers, Delft, The Netherlands, October 2017.
F.J.A.L. Cruz and J.P.B. Mota, “Encapsulation of Nucleic Acids in Carbon Nanotubes: Thermodynamics and Kinetics”, 1st Meeting of the Portuguese Carbon Group, Porto, Portugal, June 2017.
R.P.P.L. Ribeiro, B.C.R. Camacho, A. Lyubchyk, I.A.A.C. Esteves, F.J.A.L. Cruz, J.P.B. Mota, “Adsorption of C2H6 and C2H4 on MIL-53(Al): Experiments and Molecular Simulations”, 2nd EuCheMS Congress on Green and Sustainable Chemistry, Lisbon, Portugal, October 2015.
A.I. Lyubchyk, F.J.A.L. Cruz, I.A.A.C. Esteves, J.P.B. Mota “Gas Adsorption in the MIL-53(Al) Metal Organic Framework. Experiments and Simulation”, 21st Annual International Conference on Composites or Nano Engineering,Tenerife, Spain, July 2013.
F.J.A.L Cruz, J.P.B Mota, J.J. de Pablo “Endohedral Confinement of a DNA Dodecamer onto Pristine Carbon Nanotubes and the Stability of the Canonical B Form”, 11th International Conference on Fundamentals of Adsorption, Baltimore, U.S.A., May 2013.
F.J.A.L. Cruz, J.P.B Mota, J.J. de Pablo “Encapsulation of DNA Nucleobases in Carbon Nanotubes: Free-energies”, 11th International Conference on Fundamentals of Adsorption, Baltimore, U.S.A., May 2013.
F.J.A.L. Cruz, A.I. Lyubchyk, I.A.A.C. Esteves, J.P.B. Mota “Probing the Adsorptive Behaviour of MIL-53(Al) using light organics (C1-C4)”, 2012 AIChE Annual Meeting, Pittsburgh, U.S.A., October 2012.
A.I. Lyubchyk, I.A.A.C. Esteves, F.J.A.L. Cruz, S. Agnihotri, J.P.B. Mota "Experimental and Simulated Adsorption Equilibria of Alkanes and Alkenes C1-C4 on Metal-Organic Framework
MIL-53(Al)" 11th International Chemical and Biological Engineering Conference, Lisbon, Portugal, September 2011.
A.I. Lyubchyk, I.A.A.C. Esteves, F.J.A.L. Cruz, S. Agnihotri, J.P.B. Mota “Experimental and Monte Carlo Study of the Energetics, Confinement and Storage of Supercritical Methane in Metal-Organic Framework MIL-53(Al)” 10th International Conference on Fundamentals of Adsorption, Hyogo, Japan, May 2010.
F.J.A.L. Cruz, J.P.B. Mota “Energetics of Methane Adsorption onto Single-walled Carbon Nanotubes and Metal Organic Frameworks (MIL53)”, 239th ACS National Meeting, San Francisco, U.S.A., March 2010.
F.J.A.L. Cruz, E.A. Müller, J.P.B. Mota, “Dynamics of Ethylene Confined in Cylindrical Nanopores”, 239th ACS National Meeting, San Francisco, U.S.A., March 2010.
F.J.A.L. Cruz, E.A. Müller, J.P.B. Mota, “Thermodynamics and Structure of Light Alkanes and Alkenes Adsorbed onto Single-walled Carbon Nanotube Bundles”, Thermodynamics 2009, London, U.K., September 2009.
F.J.A.L. Cruz, I.A.A.C. Esteves, J.P.B. Mota “Adsorption of Light Alkanes and Alkenes onto Single-Walled Carbon Nanotube Bundles: Langmuirian Analysis and Computer Simulations.”, 5th International Workshop “Characterization of Porous Materials: from Angstroms to Millimeters”, New Brunswick, U.S.A., June 2009.
I.A.A.C. Esteves, F.J.A.L. Cruz, J.P.B. Mota, S. Agnihotri, E.A. Müller “Computer-assisted Structural and Adsorptive Characterization of Carbon Nanotubes for Adsorptive and Environmental Applications”, 10th International Chemical and Biological Engineering Conference, Braga, Portugal, September 2008.
F.J.A.L. Cruz, E.A. Müller, “Confinement of Lennard-Jones Polyatomic Molecules onto Single-Walled Carbon Nanotubes. Dynamical Properties”, 7th Liquid Matter Conference, Lund, Sweden, June 2008.
I.A.A.C. Esteves, F.J.A.L. Cruz, J.P.B. Mota, S. Agnihotri, E.A. Müller, “Computer-assisted Structural and Adsorptive Characterization of Carbon Nanotubes for Adsorptive and Environmental Applications”, 2nd International Conference on Advanced Nano Materials, Aveiro, Portugal, June 2008.
F.J.A.L. Cruz, E.A. Müller, “Transport and adsorption behaviour of mixtures of low molecular weight alkenes and alkanes in carbon nanotubes”, Thermodynamics 2007, Paris, France, September 2007.
Mesoscale Modelling For Complex Fluids and Flows, Univ. Oxford, U.K., June 2007.
F.J.A.L. Cruz, J.N. Canongia Lopes, M.E. Minas da Piedade, J.C.G. Calado, “Molecular dynamics study of the monoclinic phases of hydroxy- and chlorapatite”, Russian XV International Conference on Chemical Thermodynamics, Moscow, Russian Federation, June 2005.
F.J.A.L. Cruz, M.E. Minas da Piedade, J.C.G. Calado, “Synthesis, characterization and thermochemical studies of crystalline hydroxy-, chlor-, and bromapatite”, Thermodynamics 2005, Sesimbra, Portugal, April 2005.
“Jorge Calado : 40 Years of Molecular Thermodynamics”, Instituto Superior Técnico, Lisbon, Portugal, January 2002.