Researcher ID: http://www.researcherid.com/rid/A-2486-2010

ORCID: http://orcid.org/0000-0002-0417-9402

Scopus Author ID: 7202074281

 Google Scholar: http://scholar.google.com/citations?user=FVscvjQAAAAJ

PRIZES AND HONOURS

João (born 1962) is member of the European Academy of Sciences (EURASC) and of the Lisbon Academy of Sciences (Chemistry) (restricted to 12 Chemists), and Fellow of both the Royal Society of Chemistry and the Chemistry Europe, and Director of the Aveiro Institute of Materials-CICECO. In 2012-14 he was advisor for the Prime Minister of Portugal, as a member of the National Science and Technology Council. In 2020 he received the French-Portuguese prize from the Société Chimique de France, in 2017 the prize Ferreira Silva (highest distinction bestowed by the Portuguese Chemical Society), in 2015 the Medinabeitia-Lourenço prize from the Real Sociedad Española de Química, in 2005 the prize for Scientific Excellence from the Portuguese Science Foundation, and in 1990 a prize from Emmanuel College, Cambridge (for having finished his Ph.D. in two years).

EDUCATION

He got his Ph.D. in 1990 from the Department of Chemistry, Cambridge University, UK, working on solid-state NMR of kaolinite and related materials (supervisor Prof. Jacek Klinowski). This was followed by a one year post-doc (NMR of zeolite-type materials) in the same group. He obtained his ‘Agregação’ (Habilitation) in 1997 in the University of Aveiro, Portugal. He has been in the Chemistry Department, Aveiro University, since mid 1991. In 1999 he was promoted to Full Professor of Inorganic Chemistry.

SCIENTIFIC RECORD

João published ca. 515 SCI papers and 25 book chapters, with (Google Scholar) 24,200 citações, h index =76 (Scopus, respectively, >20,000 and 65), and 4 patent applications, and gave over 250 talks (most invited) at conferences (most international). He has mentored 43 post-docs and 32 Ph.D. students He has coordinated over two-dozen projects (6 European, as national PI), and consulted widely for industry.

João’s first degree was on Physics and Chemistry aimed at teaching in secondary schools. He still enjoys (whenever possible) visiting schools and giving talks aimed at raising the students scientific awareness and showing the beauty of Chemistry and Materials Science. 
João is passionate for Nature and loves bird watching (especially eagles) or just rambling around. He is very serious about playing karate (black belt) and loves gardening, music (particularly opera), nature photography, poetry, and meeting people other then scientists and academics.

Luís Carlos, Artur Silva, Filipe Paz, Luís Mafra, Zhi Lin, Duarte Ananias, Manuel Souto, Carlos Silva, Carlos Brites; Carlos Geraldes (Coimbra); Marie-Helene Delville (Bordeaux); Xiaogang Liu (NUS Singapore); Reda Abdelhameed (National Research Centre, Giza, Egipt)

João has supervised(es) 43 post-docs and 32 Ph.D. students. At present his group is associated with/includes:

Very close collaboration with the groups of Drs. Filipe Paz, Luís Mafra, Zhi Lin, and Prof. Manuel Souto

Researchers - Duarte Ananias, Isabel Vieira

Technicians (with PhD) - Paula Brandão (XRD), Paula Santos (NMR)

Post-Docs - Wei Xu (Andrei Kholkin)

PhD students - Patrícia Vaz (Artur Silva, Samuel Guieu), Carlos Bornes (L Mafra), Orlando Oliveira (Laura Salonen), Celso Cardoso (Eduarda Pereira), Thiago Silva (Luís Carlos), Gonçalo Valente (Manuel Souto), Luis Fontes (Samuel Guieu , Artur Silva), Judite Resende (Sónia Santos, Armando Silvestre), Luís Veríssimo (Andrei Kholkin)

Research grantees - Andrea Simões

FINISHED PROJECTS

He has coordinated and participated in dozens of projects:
European - JOULE(II) and 2 Human Capital and Mobility; "Materials Network for the Atlantic Area" financed by INTERREG IIIB.
- COST Action MP1202, "RATIONAL DESIGN OF HYBRID ORGANIC-INORGANIC INTERFACES: THE NEXT
STEP TOWARDS ADVANCED FUNCTIONAL MATERIALS"
National - 3 PRAXIS XXI, STRIDE; 3 POCTI other small projects.
National(PORC-MaisCentro)
- “Biomaterials for Regenerative Medicine", SCT_2011_02_030_4872

RUNNING ACADEMIC PROJECTS

- European Joint Doctorate in Functional Materials Research, European Commission, Contract: 641640, Co-PI, 2015-06 to 2019-05.

- “Nanoheaters and nanothermometers playing together: towards applications in Brownian motion and hyperthermia, FCT, PTDC/CTMNAN/4647/2014; participant, 2016-07 to 2019-06.

- “From inexpensive raw materials to new luminescent glass materials”, FCT, PTDC/QEQQIN/3007/2014, Co-PI, 2016-05 to 2019-04.

- "Protein aggregation across the lifespan – pAGE", CENTRO-01-0145-FEDER-000003, Co-PI, 2017-2020

PROJECTS WITH COMPANIES (details are confidential)

- With american ZS Pharma, now part of Astra Zeneca, PI, 2016-04 to 2018-03 
- "Smart Green Homes", With Bosch Thermotechnology, Co-PI, 2016-10 to 2020-09.

RUNNING PROJECT FUNDING THE ASSOCIATED LABORATORY CICECO

FCT, UID/CTM/50011/2013, PI, 2015-01 to 2017-12 

1. MICROPOROUS MATERIALS

Transition Metal (& Sn) Silicates                

1) Anderson, M. W., Terasaki, O., Ohsuna, Philippou, A., MacKay, S. P., Ferreira, A., Rocha, J. and Lidin, S., "Structure of the microporous titanosilicate ETS-10" Nature, 367: 347 (1994).

2) Anderson, M. W., Philippou, A., Ferreira, A., Lin, Z. and Rocha, J., "Al, Ti, avoidance in the microporous titano-aluminosilicate ETAS-10", Angew. Chem., Int. Ed. Engl., 34: 1003 (1995).

3) Anderson, M. W., Agger, J. R., Luigie, D.-P., Baggaley, A. K. and Rocha, J., "Cation sites in ETS-10: 23Na 3Q MAS NMR and lattice energy minimisation calculations", J. Phys. Chem.Chem. Phys., 1: 2287 (1999).

4) Lin, Z., Rocha, J., Ferreira, P., Thursfield, A., Agger, J. R. and Anderson, M. W., "Synthesis and structural characterisation of microporous framework zirconium silicates", J. Phys. Chem. B, 103: 957 (1999).

5) Ferreira, A., Lin, Z., Rocha, J., Morais, C. M., Fernandez, C., “Ab initio structure determination of a small-pore framework sodium stannosilicate”, Inorg Chem., 40, 3330-3335 (2001).

6) Brandão, P., Almeida Paz, F. A. and Rocha, J., “A novel microporous copper silicate: Na₂Cu₂Si₄O₁₁×2H₂O”, Chem. Commun., 171-173 (2005).

7) Ananias, D., Almeida Paz, F. A., Carlos, L. D., Rocha, J., “Chiral microporous rare-earth silico-germanates: Synthesis, structure and photoluminescence properties”, Micropor. Mesopor. Mater., 166: 50-58 (2012).

8) Bornes, C., Sardo, M., Lin, Z., Amelse, J., Fernandes, A., Ribeiro, M. F., Geraldes, C., Rocha, J., Mafra, L., “¹H-³¹P HETCOR NMR elucidates the nature of acid sites in zeolite HZSM-5 probed with trimethylphosphine oxide”, Chem Commun., 55: 12635-12638 (2019).

Rare-Earth Silicates    

1) Rocha, J., Ferreira, P. Carlos, L. D. and Ferreira, A., “The first example of a microporous framework cerium-silicate”, Angew. Chem Int Ed., 39: 3276-3279 (2000).

2) Ananias, D., Ferreira, A., Rocha, J., Ferreira, P., Rainho, J. P:, Morais, C. and Carlos, L. D., “Novel microporous framework europium and terbium silicates”, J. Am. Chem. Soc., 123, 5735-5742 (2001).

3) Ferreira, A., Ananias, D., Carlos, D., Morais, C. M. and Rocha, J., “Novel microporous lanthanide silicates with tobermorite-like structure”, J. Am. Chem. Soc., 125: 14573-14579 (2003).

4) Ananias, A., Paz, F. A. A., Carlos, L. D., Geraldes, F. G. C., Rocha, J., “Optical detection of solid-state chiral structures with unpolarized light and in the absence of external fields”, Angew. Chem. Int. Ed., 45: 7938-7942 (2006).

5) Ananias, D., Ferdov, S., Paz, F. A. A., Sá Ferreira, R. A., Ferreira, A., Geraldes, C. F. G. C., Carlos, L. D., Lin, Z., Rocha, J., “Photoluminescent layered lanthanide silicate nanoparticles”, Chem. Mater., 20: 205-212 (2008).

6) Ananias, D., Kostova, M., Paz, F. A. A., Neto, A. N. C., De Mora, R. T., Malta, O. L., Carlos, L. D., Rocha, J., "Molecule-like Eu³⁺ dimer enbedded in an extended system exhibits unique photoluminescence properties", J. Am. Chem. Soc., 131: 8620-8626 (2009).

7) Ananias, D., Almeida Paz, F. A., Yufit, D. S., Carlos, L. D., Rocha, J., “Photoluminescent thermometer based on a phase-transition lanthanide silicate with unusual structural disorder”, J. Am. Chem. Soc., 137: 3051-3058 (2015).

8) Figueiredo, R., de Melo, M. M. R., Portugal, I., Ananias, D., Rocha, J., Silva, C. M.,“Cs⁺removal and optical detection by microporous lanthanide silicate Eu-AV-20 in a fixed-bed column”, Chem. Eng. J.,286: 48-58 (2016).

9) Ananias, D., Paz, F. A. A., Carlos, L. D., Rocha, J., “Near-infrared ratiometric luminescent thermometer based on a new lanthanide silicate”, Chem. Eur. J., 24: 11962-11935 (2018).

Phosphates 

1) Rocha, J., Esculcas, A. P., Fernandez, C. and Amoureux, J. P., "Two-dimensional triple-quantum ²⁷Al MAS NMR spectroscopic study of the high-temperature phase transformation of microporous VPI-5", J. Phys. Chem., 100: 17889 (1996).

2) Rocha, J., Lourenço, J. P., Ribeiro, M. F., Fernandez, C. and Amoureux, J. P., "Multiple-quantum ²⁷Al MAS NMR spectroscopy of microporous AlPO-40 and SAPO-40", Zeolites, 19: 156 (1997).

3) Shi, Fanian, Almeida Paz, F. A., Ribeiro-Claro, P., Rocha, J., “Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates”, Chem. Commun., 49: 11668-11670 (2013).


2. LANTHANIDES OXIDES NANOTUBES AND FLUORIDE NANOPARTICLES

1) Macedo, A. G., Ananias, D., André, P. S., Sá Ferreira, R. A., Kholkin, A. L., Carlos, L. D., Rocha, J., “Functionalization of atomic force microscope tips by dielectrophoretic assembly of Gd₂O₃:Eu³⁺ nanorods”, Nanotechnol.,  19: 295702 (2008).

2) Macedo, A. G., Ferreira, R. A. S., Ananias, D., Reis, M. S., Amaral, V. S., Carlos L. D., Rocha, J., “Effects of phonon confinement on anomalous thermalization, energy transfer and upconversion in Ln³⁺-doped Gd₂O₃ nanotubes”, Adv. Funct. Mater., 20: 624-634 (2010).

3) Debasu, M. L., Ananias, D., Macedo, A. G., Rocha, J., Carlos, L. D., “Emission-decay curves, energy-transfer and effective-eefractive index in Gd₂O₃:Eu³⁺ nanorods”, J. Phys. Chem. C, 115: 15297–15303 (2011).

4) Debasu, M. L., Ananias, D., Pastoriza-Santos, I., Liz-Marzan, L. M., Rocha, J., Carlos L. D., “All-In-One OpticalHeater-Thermometer Nanoplatform Operative from Room Temperature to 2000 K”, Adv. Mater., 35: 4868-4874 (2013). 

5) Balabhadra, S., Debasu, M. L., Brites, C. D. S., Nunes, L. A. O., Malta, O. L., Rocha, J., Bettinelli, M., Carlos, L. D.,“Boosting the sensitivity of Nd³⁺-based luminescent nanothermometers”, Nanoscale, 7: 17261-17267 (2015).

6) Balabhadra, S., Rocha, J., Debasu, M., Brites, C., Carlos L., “Implementing luminescence thermometry at 1.3 μm using(GdNd)₂O₃nanoparticles”, J. Luminescence, 180: 25–30 (2016).

7) Brites, C. D. S., Xie, X., Debasu, M. L., Qin, X., Rocha, J., Liu, X., Carlos, L. D., “Instantaneous Ballistic Velocity of Suspended Brownian Nanocrystals Measured by Upconversion Nanothermometry”, Nature Nanotech., 11, 851–856 (2016). 

3. ORGANIC-INORGANIC HYBRID MATERIALS

Metal Organic Frameworks and Related Materials    

1) Mafra, M., Almeida Paz, F. A., Shi, F.N., Rocha, J., Trindade, T., Fernandez, C., Makal, A., Wozniak, K., Klinowski, J., “Hydrothermal synthesis and structural characterization of a Ge-pmida binuclear complex: X-ray diffraction and HETCOR MAS NMR with FS-LG decoupling”, Chem. Eur. J., 12: 363-375 (2006).

2) Mafra, L., Paz, F. A. A., Shi, F-N., Sá Ferreira, R. A., Carlos, L. D., Trindade, T., Fernandez, C., Klinowski, J. and Rocha, J., “Crystal structure, Solid-State NMR spectroscopic and photoluminescence studies of Organic-Inorganic Hybrid Materials (HL)6[Ge6(OH)6(hedp)6]·2(L)·nH2O, L=hqn or phen”, Eur. J. Inorg. Chem., 4741-4751 (2006).

3) Cunha-Silva, L., Mafra, L., Ananias, D., Carlos, L. D., Rocha, J., Paz, F. A. A., “Photoluminescent lanthanide-organic 2D networks: a combined synchrotron powder X-ray diffraction and solid-state NMR study”, Chem. Mater., 19: 3527-3538 (2007).

4) Shi, F. N., Cunha-Silva, L., Sá Ferreira, R. A., Mafra, L., Trindade, T., Calos, L. D., Almeida Paz, F. A. and Rocha, J., “Interconvertable Modular Framework and Layered Lanthanide(III)-Etidronic Acid Coordination Polymers”, J. Am. Chem. Soc., 130: 150-167 (2008).

5) Harbuzaru, B. V., Corma, A., Rey, F., Atienzar, P., Jordá, J. L., García, H., Ananias, D., Carlos L. D. and Rocha, J., “Metal-organic nanoporous structures with anisotropic photoluminescence and magnetic properties and their use as sensors”, Angew. Chem. Int. Ed., 47: 1080-1083 (2008).

6) Harbuzaru, B. V., Corma A., Rey, F., Jordá, J. L., Ananias D., Carlos, L. D., Rocha, J., "A miniaturized linear pH sensor based on a highly photoluminescent self-assembled Europium(III) metal organic framework", Angew. Chem. Int. Ed., 48: 6476-6479 (2009).

7) Rocha, J., Shi, F. N., Almeida Raz, F. A., Mafra, L., Sardo, M., Cunha-Silva, L., Chisholm, J., Ribeiro-Claro, P. and Trindade, T., “2D-2D-0D stepwise deconstruction of a water Framework templated by a nanoporous organic-inorganic hybrid host”, Chem. Eur. J., 16: 7741-7749 (2010).

8) Rocha, J., Carlos, L. D., Paz, F. A. A., Ananias, D.,“Luminescent multifunctional lanthanides-based metal-organic frameworks”, Chem. Soc. Rev., 40: 926-940 (2011).

9) Silva, P., Vieira, F., Gomes, A. C., Ananias, D., Fernandes, J. A., Bruno, S. M., Soares, R., Valente, A. A., Rocha, J., Paz, F. A. A., “Thermal transformation of a layered multifunctional network into a metal-organic framework based on a polymeric organic linker”,  J. Am. Chem. Soc., 133: 15120-15138 (2011).

10) Rocha, J., Carlos, L. D., Paz, F. A. A., Ananias, D.,“Luminescent multifunctional lanthanides-based metal-organic frameworks”, Chem. Soc. Rev., 40: 926-940 (2011). 

11) Paz, F. A. A., Klinowski, J., Vilela, S. M. F., Tomé, J. P. C., Cavaleiro, J. A. S.,  “Ligand design for functional metal–organic frameworks”, Chem. Soc. Rev., 41: 1088-1110 (2012).

12) Liu, S. R., Ferreira, R. A. S., Almeida Paz, F. A., Cadiau, A., Carlos, L. D., Fu, L. S., Rocha, J., Shi, F. –N., “Highly emissive Zn-Ln metal organic frameworks with an unusual 3D inorganic subnetwork”, Chem. Commun., 48: 7964-7966 (2012).

13) Abdelhameed, R. M., Carlos, L. D., Silva, A., Rocha, J., “Near-infrared emitters based on post-synthetic modified Ln³⁺-IRMOF-3”, Chem. Commun., 49: 5019-5021 (2013).

14) Cadiau, A., Brites, C. D. S., Costa, P. M. F. J., Ferreira, R. A. S., Rocha, J., Carlos, L. D., “Rathiometric nanothermometer based on an emissive Ln³⁺- organic framework”, ACS Nano, 7: 7213–7218 (2013).


15) Wang, Z., Ananias, D., Carné-Sánchez, A., Brites, C. D. S., Imaz, I., Maspoch, D., Rocha, J., Carlos, L.D., “Lanthanide organic framework nanothermometers prepared by spray drying”, Adv. Funct. Mater., 25: 2824-2830 (2015). 

16) Shi, F. N., Almeida, J. C., Helguero, L. A., Fernandes, M. H. V., Knowles, J. C., Rocha, J., “Calcium phosphonate frameworks for treating bone tissue disorders”, Inorg Chem., 54: 9929–9935 (2015).

17) Abdelhameed, R., Kamel, O., Amr, A., Rocha, J., Silva, A., “Anti-mosquito activity of a titanium-based metal–organic framework supported on fabrics”, ACS Appl. Mater. Interfaces, 9: 22112–22120 (2017). 

18) Ananias, D., Firmino, A. D. G., Mendes, R. F., Almeida Paz, F. A., Nolasco, M., Carlos, L. D., Rocha, J., “Excimer formation in a Tb-MOF assists luminescence thermometry”, Chem. Mater., 29: 9547-9554 (2017).

19) Wang, X.-F., Chen, Y., Song, L.-P., Fang, Z., Zhang, J., Shi, F., Lin, Y.-W., Sun, Y., Zhang, Y.-B., Rocha, J., “Cooperative capture of uranyl ion by a carbonyl-bearing hierarchical porous Cu-Organic Framework”, Angew. Chem., Intl. Ed., 58: 1-6 (2019).

20) Castells-Gil, J., Mañas-Valero, S., Vitórica-Yrezábal, I. J., Ananias, D., Rocha, J., Santiago, R., Bromley, S. T., Baldoví, J. J., Coronado, E., Souto, M., Espallargas, G. M., “Electronic, Structural and Functional Versatility in Tetrathiafulvalene-Lanthanide Metal–Organic Frameworks”, Chemistry, Eur. J., 25: 12636-12643 (2019).

Amorphous Hybrids    

1) Fu, L., Sá Ferreira, R. A., Silva N. J. O., Carlos, L. D., Zea Bermudez, V. and Rocha, J., “Photoluminescence and quantum yields of urea and urethane cross-linked nanohybrids derived from carboxylic acid solvolysis”, Chem. Mater., 16: 1507-1516 (2004).

2) Nunes, S. C., de Zea Bermudez, V., Cybinska, J., Ferreira E. A. S., Legendziewics, J., Carlos, L. D., Silva, M. M., Smith, M. J., Ostrovskii, D and  Rocha, J., “Structure and photoluminescent features of di-amide cross-linked alkylene siloxane hybrids”, J. Mater. Chem., 15: 3876-3886 (2005).

3) Nunes, S. C., de Ze Bermudez, V., Silva, M. M., Smith, M. J., Ostrovskii, D., Sá Ferreira, R. A., Carlos, L. D., Rocha, J., Gonçalves, A., Fortunato, E., “Sol-gel derived potassium-based di-ureasils for smart windows", J. Mater. Chem., 17: 4239 (2007).

4) Carlos, L. D., de Zea Bermudez, Amaral, V. S., Nunes, S. C., Silva, N. J. O., Ferreira, R. A. S., .; Rocha, J, Santilli, C. V. and Ostrovskii, D., "Nanoscopic photoluminescence memory as a fingerprint of complexity in hierarchically-structured self-assembled alkylene/siloxane hybrids", Adv. Mater., 19: 341-348 (2007).

Templated and Intercalated Materials

1) Rocha, J., Duer, M. J. and Klinowski, J., "Solid-state NMR studies of the molecular motion in the kaolinite:DMSO intercalate", J. Am. Chem. Soc., 114: 6867 (1992).

2) Mafra, L., Paz, F. A. A., Rocha, J., Espina, A., Khainakov, S. A. and Garcia, J. R., “Structural characterisation of layered gamma-titanium phosphate (C6H13NH3)[Ti(HPO4)(PO4)]·H2O”, Chem. Mater., 17: 6287-6294 (2005).

3) Mafra, L., Rocha, J., Fernandez, C. and Paz, F. A. A., “Characterisation of microporous aluminophosphate IST-1 using ¹H Lee-Goldburg techniques”, J. Magn. Reson., 180: 235-243 (2006).

4) Karmaoui, M., Mafra, L., Sá Ferreira, R. A., Rocha, J., Carlos, L. D. and Pinna, N., "Photoluminescent Rare-Earth Based Biphenolate Lamellar Nanostructures", J. Phys. Chem. C, 111: 2539-2544 (2007).


5)  Pinto, M. L., Mafra, L., Guil, J. M., Pires, J., Rocha, J., “Adsorption and activation of CO₂ by amine-modified nanoporous materials studied by solid-state NMR and (CO₂)-C-13 adsorption”, Chem. Mater., 23: 1387-1395 (2011).

Functionalized MCMs and Periodic Mesoporous Organo-Silicas    

1) Nunes, C. D., Valente, A., Pillinger, M., Fernandes, A. C., Romão, C. C., Rocha, J., Gonçalves, I. S., “MCM-41 functionalised with bipyridyl groups and its use as a support for oxomolybdenum(VI) catalysts”, J. Mater. Chem., 12, 1735-1742 (2002).

2) Nunes, C. D., Valente, A. A., Pillinger, M., Rocha, J. and Gonçalves, I. I., “Molecular structure-activity relationship for the oxidation of organic compounds using mesoporous silica catalysts derivatised with bis(halogeno)dioxomolibdenum(VI) complexes”, Chem. Eur. J., 9: 4380-4390 (2003).

3) Bion, N., Ferreira, P., Valente, A., Gonçalves, I. S. and Rocha, J., “Ordered benzene-silica hybrids with molecular-scale periodicity in the walls and different mesopore sizes”, J. Mater. Chem., 13:1910-1913 (2003).

4) Abrantes, M., Gago, S:, Valente, A. A., Pillinger, M., Gonçalves, I. S:, Santos, T. M., Rocha, J. and Romão C. C., “Incorporation of a (cyclopentadienyl)molybdenum oxo complex in MCM-41 and its use as a catalysts for olefin epoxidation”, Eur. J. Inorg. Chem., 4914 (2004).

5) Fu, L., Sá Ferreira, R. A., Valente, A., Rocha, J and Carlos, L. D., “Optically functional nanocomposites with poly(oxyethylene)-based di-ureasils and mesoporous MCM-41”, Micropor. Mesopor. Mater., 94: 185-192 (2006).


6) Coelho, A. C., Balula, S. S., Bruno, S.M., Alonso, J. C., Bion, N., Ferreira, P., Pillinger, M., Valente, A. A., Rocha, J. and Gonçalves, I. S., “Grafting of Molecularly Ordered Mesoporous Phenylene-Silica with Molybdenum Carbonyl Complexes: Efficient Heterogeneous Catalysts for the Epoxidation of Olefins”, Adv. Synth. Catal., 352: 1759-1769 (2010).

4. MATERIALS FOR DRUG DELIVERY AND IMAGING       

1) Lin, Z., Ferreira, A., Soares, M. R., Rocha, J., “Ab initio structure determination of novel small-pore metal-silicates: knots-and-crosses structures”, Inorg. Chim Acta, 356: 19-26 (2003).


2) del Arco, M., Cebadera, E., Gutiérrez, S., Martín, C., Montero, M. J., Rives, V., Rocha, J. and Sevilla, M. A., “Mg,Al layered double hydroxides with intercalated indomethacin: synthesis, characterisation and pharmacological study”, J. Pharmacol. Sci.,  93: 1649-1658 (2004)

3) del Arco, M., Gutiérrez, S., Martín, C., Rives, V. and Rocha, J., “Synthesis and characterisation of layered double hydroxides (LDH) intercalated with non-steroidal anti-inflamatory (NSAID) drugs”, J. Solid State Chem., 177: 3954-3962 (2004).

4) Braga, S. S., Sá Ferreira, R. A., Gonçalves, I. S.,  Pillinger, M., Rocha, J., Teixeira-Dias, J. J. C. and Carlos, L. D., “Synthesis, characterisation and luminescence of gamma-cyclodextrin inclusion compounds containing europium(III) and gadolinium(III) tris(beta-diketonates)”, J. Phys. Chem., 106: 11430-11437 (2002).

5) Pereira, G. A., Ananias, D., Rocha, J., Muller, R. N., Vander Elst, L., Peters, J. A. and Geraldes, C. F. G. C., “NMR relaxivity of Ln3+-based zeolite-type materials”, J. Mater. Chem, 15: 3832-3837 (2005).


6) Pereira, G. A., Norek, M., Peters, J. A., Ananias, D., Rocha, J., and Geraldes, C. F. G. C., “NMR transversal relaxivity of aqueous suspensions of particles of Ln3+-based zeolite type materials”, Dalton Trans., 2241-2247 (2008).

7) Pereira, G. A., Joop, P., Paz, F. A. A., Rocha, J., Geraldes, C., “Evaluation of [Ln(H2cmp)(H2O)] metal organic framework materials for potential application as MRI contrast agents", Inorg. Chem., 49: 2969-2974 (2010).

8) Pinho, S. L. C., Pereira, G. A., Voisin, P., Kassem, J., Bouchaud, V., Etienne, L., Peters, J. A., Carlos, L., Mornet, S., Geraldes, C. F. G. C., Rocha, J., DElville, M.-H., “Fine tuning of the relaxometry of gamma-Fe₂O₃@SiO₂ nanoparticles by tweaking the silica coating thickness”, ACS Nano, 4: 5339-5349 (2010).

9) Pinto, M. L., Rocha, J., Gomes, J. R. B., Pires, J., “Slow release of NO by microporous titanosilicate ETS-4”, J. Am. Chem. Soc., 133: 6396–6402 (2011).


10)  Pinho, S. L. C., Faneca, H., Geraldes, C. F. G. C., Delville, M.-H., Carlos, L. D., Rocha, J., “Lanthanide-DTPA grafted silica nanoparticles as bimodal-imaging contrast agents”, Biomater., 33: 925-935 (2012).

11) Pinto, M. L., Rocha, J., Gomes, J. R. B., Pires, J., “Slow release of NO by microporous titanosilicate ETS-4”, J. Am. Chem. Soc., 133: 6396–6402 (2011).

12) Vilaça, N., Morais-Santos, F., Machado, A. F., Sirkecioglu, A., Pereira, M. F. R., Sardo, M., Rocha, J., Parpot, Pier, Fonseca, A. M., Baltazar, F., Neves, I. C., “Micro and mesoporous structures as drug delivery carriers for salicylic acid”, J. Phys. Chem C, 119: 3589-3595 (2015).

13) Vilaça, N., Machado, A. F., Morais-Santos, F., Amorim, R., Neto, A. P., Logodin, E., Pereira, M. F. R., Sardo, M., Rocha, J., Parpot, P., Fonseca, A. M., Baltazar, F., Neves, I. C., “Comparison of different silica microporous structures as drug delivery systems for in vitro models of solid tumors”, RSC Adv., 7: 13104-13111 (2017).

14) Pinto, R. V., Fernandes, A. C., Antunes, F., Lin, Z., Rocha, J., Pinto, M. L., “New generation of nitric oxide-releasing porous materials: Assessment of their potential to regulate biological functions”, Nitric Oxide, 90: 29-36 (2019).

15) André, V., Silva, A. R. F., Fernandes, A., Frade, R., Garcia, C., Rijo, Antunes, A., P., Rocha, J., Duarte, T., “Mg- and Mn-MOFs boost the antibiotic activity of nalidixic acid”, ACS Appl. Bio Mater., 2: 262347-2354 (2019).

5. AGGREGATION-INDUCED EMMISSION (ORGANIC MATERIALS)

1) Guieu, S., Cardona, F., Rocha, J., Silva, A. M. S., “Luminescent bi-metallic fluoroborates derivatives of bulky salen ligands”, New J. Chem., 38: 5411-5414 (2014).

2) Guieu, S., Joana, P., Silva, V. L. M., Rocha, J., Silva, M. S., “Synthesis, post-modification and fluorescence properties of boron diketonate complexes”, Eur. J. Org. Chem., 3423-3426 (2015).

3) Vaz, P. A. A. M., Rocha, J., Silva, A. M. S., Guieu, S., “Aggregation-induced emission enhancement in halochalcones”, New J. Chem., 40: 8198 (2016).

4) Vaz, P., Guieu, S., Silva, A. M. S., Rocha, J., “Aggregation-induced emission enhancement of chiral boranils”, New J. Chem., 42: 18166-18171 (2018).

5) Guieu, S., Cardona, F., Rocha, J., Silva, A. M. S., "Tunable color of aggregation induced emission enhancement in a family of hydrogen-bonded azines and Schiff bases", Chem. Eur. J., 24: 17262 – 17267 (2018).

6. OTHER SELECTED MATERIALS

1) Rocha, J., Orion, I., Nahring, J., Heaton, B. T., Fernandez, C. and Amoureux, J. P., "Solid-state NMR studies of interstitial P atoms within rhodium carbonyl clusters", Solid State NMR, 8: 195 (1997).

2) Walfort, B., Lameyer, L., Weiss, W., Herbst-Irmer, R., Bertermann, R., Rocha, J., and Stalke, D., “{[(MeLi)₄.(DEM)_1.5]_¥ and [(thf)₃.Li₃Me(NtBu)₃S]}- How to reduce aggregation of parent methyllithium”, Chem. Eur. J., 7: 1417 (2001).

3) Abrantes, M., Valente, A. A., Pillinger, M., Gonçalves, I. S., Rocha, J. and Romão, C. C., “Preparation and characterization of organotin-oxomolybdate coordination polymers and their use in sulfoxidation catalysis", Chem.Eur. J., 9: 2685-2695 (2003).

4) Ananias, D. Ferreira, A., Carlos, L. D. and Rocha, J., “Multifunctional sodium lanthanide silicates: from blue emitters and infrared S-band amplifiers to X-ray phosphors ”, Adv. Mater., 15: 980-85 (2003).

5) Smirnova, O. A., Rocha, J., Nalbandyan, V. B., Kharton, V. V. and Marques, F. M. B., “Crystal structure, local sodium environments and ion dynamics in Na0.9Ni0.6Sb0.4O2, a new mixed antimonate”, Solid State Ion., 178: 1360-1365 (2007).

7. SOLID-STATE NMR: AN OLD PASSION       

1) Rocha, J., Kolodziejski, W. and Klinowski, J., "Two-dimensional J-resolved ¹³C NMR of a solid with restricted molecular motion", Chem. Phys. Lett., 176: 395 (1991).

2) Rocha, J., Klinowski, J., Barrie, P. J., Jelinek, R. and Pines, A., "Solid‑state ²⁷Al NMR studies of aluminophosphate molecular sieves: enhanced resolution by quadrupole nutation and double-rotation", Solid State NMR, 1: 217 (1992).

3) Jäger, C., Rocha, J. and Klinowski, J., "High-speed satellite transition ²⁷Al MAS NMR spectroscopy", Chem. Phys. Lett., 188, 208 (1992).

4) Duer, M. J. and Rocha, J., "A two-dimensional solid-state ²H exchange NMR study of the molecular motion in the kaolinite:DMSO intercalation compound", J. Magn. Reson., 98: 524 (1992).

5) 2) Rocha, J., Lin, Z., Fernandez, C. and Amoureux, J. P., "Multiple-quantum ²⁷Al MAS NMR spectroscopy of microporous aluminium methylphosphonate AlMepO-alfa", Chem. Commun., 2513 (1996).

6) Orion, I., Rocha, J., Jobic, S., Abadie, V., Brec, R., Fernandez, C. and Amoureux, J. P., "¹²⁵Te solid-state NMR studies of transition metal ditellurides", J. Chem. Soc. Dalton Trans., 20: 3741 (1997).

7) Fernandez, C., Morais, C.,  Rocha, J. and Pruski, M., “High-resolution heteronuclear correlation spectra between ³¹P and ²⁷Al nuclei in microporous aluminophosphates”, Solid State NMR, 21, 61-79 (2002).

8) Delevoye, L., Fernandez, C., Morais, C. M., Amoureux, J. P., Montouillout, V. and Rocha, J., “Double-resonance decoupling for resolution enhancement of ³¹P solid-state MAS and ²⁷Al-31P MQ-HETCOR NMR ”, Solid State NMR, 22: 501-512 (2002).

9) Amoureux, J. P., Morais, C, M., Trebosc, J., Rocha, J. and Fernandez, C., “I-STMAS, a new high-resolution solid-state NMR method for half-integer quadrupolar nuclei”, Solid State NMR, 23: 213-223 (2003).

10) Morais, C. M., Lopes M., Fernandez, C, and Rocha, J., “Assessing the potential of fast amplitude modulation pulses for improving triple-quantum MAS NMR spectra of half-integer quadrupolar nuclei”, Magn. Reson. Chem., 41: 679-688 (2003).

11) Malicki, L., Mafra, L., Quoineaud, A.-A., Thibault-Starzyk, F., Rocha, J. and Fernandez, C., “Multiplex MQMAS NMR of quadrupolar nuclei”, Solid State NMR, 28: 13-21 (2005).

12) Mafra, L., Rocha, J., Fernandez, C. and Paz, F. A. A., “Characterisation of microporous aluminophosphate IST-1 using ¹H Lee-Goldburg techniques”, J. Magn. Reson., 180: 235-243 (2006).

13) Coelho C., Rocha, J, Madhu, P. K. and Mafra L., “Practical aspects of Lee-Goldburg based CRAMPS techniques for high-resolution ¹H NMR spectroscopy in solids: implementation and applications”, J. Mag Reson., 194: 264-282 (2008).

14) Morais C. M., Montouillout, V., Deschamps M., Iuga, D., Fayon, F., Paz, F. A. A., Rocha, J., Fernandez, C., and Massiot, D., “1D to 3D NMR study of microporous alumino-phosphate AlPO₄-40”, Magn. Reson. Chem., 47: 942-947 (2009). 

15) Siegel, R., Rocha, J., Mafra, L., "Combining STMAS and CRAMPS NMR spectroscopy: high resolution HETCOR NMR spectra of quadrupolar and H-1 nuclei in solids", Chem. Phys. Lett., 470: 337-341 (2009).

16) Mafra, L., Coelho, C., Siegel, R., Rocha, J, “Assessing the performance of windowed ¹H CRAMPS methods, on biological solids, at high-field and MAS up to 35 kHz ” J. Mag. Reson., 197: 20-27 (2009).

17) Mafra, L., Siegel, R., Fernandez, C., Schneider, D., Aussenac, F., Rocha, J., “High-resolution ¹H homonuclear dipolar recoupling NMR spectra of biological solids at MAS rates up to 67 kHz”, J. Mag. Reson., 199: 111-114 (2009).

18) Sardo, M., Siegel, R., Santos, S. M., Rocha, J., Gomes, J. R. B., Mafra, L., “Combining multinuclear high-resolution solid-state MAS NMR and computational methods for resonance assignment of glutathione tripeptide”, J. Phys. Chem. A, 116: 6711-6719 (2012).

19) Santos, S. M., Rocha, J., Mafra, L., “NMR Crystallography: chemical shift-driven crystal structure determination of β-lactam antibiotic amoxicillin trihydrate”, Cryst. Grow Design, 13: 2390-95 (2013).

20) Rocha, J., Almeida Paz, F. A., Sardo M., Mafra, L., “Revisiting the crystal structure of dickite: X-ray diffraction, solid-state NMR and DFT calculations study”, Am. Mineral.,103: 812-818 (2018).

21) Bornes, C., Sardo, M., Lin, Z., Amelse, J., Fernandes, A., Ribeiro, M. F., Geraldes, C., Rocha, J., Mafra, L., “¹H-³¹P HETCOR NMR elucidates the nature of acid sites in zeolite HZSM-5 probed with trimethylphosphine oxide”, Chem Commun., 55: 12635-12638 (2019).

----Plenary & Key Note Talks----

J Rocha, “Luminescent silicates and coordination polymers: nanothermometry meets catalysis?”. UCRA2019 – International Conference on Unconventional Catalysis, Reactors and Applications. 16-18 October 2019, Zaragoza, Spain.

J Rocha, “A tale of two themes on microporous solids: lifesaving drugs and chirality imprinting”. European Conference on Solid State Chemistry, ECSSC 17. 1-4 September 2019, Lille, France.

J Rocha, "From functional silicates to organic-inorganic hybrids: climbing the ladder?”. 6th International Conference on Multifunctional, Hybrid and Nanomaterials, 11-15 March 2019, Sitges, Spain.

J Rocha, “Quo Vadis: inorganic and organic-inorganic hybrid materials. International Workshop on Advanced Materials for Healthcare Applications. 22-23 May 2018, University of Iceland, Reykjavik, Iceland. 

J Rocha, “Functional MOFs and microporous silicates”. E-MRS 2018 Spring Meeting. 18 – 22 June 2018, Strasbourg.

J Rocha, “A Chemist’s Playground: MOFs, Silicates and Nanoparticles”, 4th International Conference on Advanced Complex Inorganic Nanomaterials (ACIN 2018). 16 - 20 July 2018, Namur, Belgium.

J Rocha, “Functional materials and their electronic, magnetic and optical properties”, 7th EuCheMS Chemistry Congress, 26 – 30 August 2018, Liverpool, UK.

J. Rocha, “Organic-inorganic hybrid nanomaterials for sensing molecules and temperature”. 5th International Conference on Multifunctional, Hybrid and Nanomaterials, 6-10 March 2017, Lisbon, Portugal.

J. Rocha, “Nanomaterials for temperature sensing”. Nano Portugal 2017, International Conference, 1-3 February 2017, Porto, Portugal.

J. Rocha, “Microporous lanthanide silicates and coordination polymers for optical sensing and nanothermometry”. Challenges and Prospects for Solid State Chemistry, EuCheMS Division on Solid State and Materials Chemistry, 9-10 September 2016, Seville, Spain.

J. Rocha, “Exploring new light emitting materials: calling the chemists in the playground”. EMRS Symposium E, Substitution of critical raw materials: synthesis, characterization and processing of new advanced materials in optoelectronic and magnetic devices, 2-6 May 2016, Lille, France.

J. Rocha, “Sensing and making sense of temperature and molecules at the nanoscale”. Third International Conference of Advanced Complex Inorganic Nanomaterials, 14 July 2015, University of Namur, Belgium.

J. Rocha, “Lanthanide-organic frameworks for optical sensing and nanothermometry”. 29th European Crystallographic Meeting, 25-30 August 2015, Rovinj, Croatia.

J. Rocha, “Lanthanide-organic frameworks for optical sensing and nanothermometry”. Pacifichem - 2015 International Chemical Congress of the Pacific Basin Societies, 15-20 December 2015, Honolulu, Hawaii.

----Talks at Learned Societies and Universities----

J. Rocha, “Nanoporous materials: functional silicates and metal organic frameworks”. Lisbon Academy of Sciences, Lisbon, 10 October 2019.

J. Rocha, “Solid-state NMR of organic-inorganic hybrids: why bother?”. Workshop and Training school – Interaction at Organic-Inorganic Interfaces. Functional Hybrid materials: Structure elucidation from molecular to macro level, University of Stockholm 25-27 May 2016. 

J. Rocha, “Materials science: sailing the wind of mineralogy”. Mineral Phases and Synthetic Analogues in Earth and Materials Science, Accademia dei Lincei, Rome 13-14 June 2016.

J. Rocha, “Sensing and making sense of temperature and molecules at the nanoscale”. Van 't Hoff Institute for Molecular Sciences of the University of Amsterdam, 16 January 2015.

J Rocha, “Materials Science, Culture and Ethics: personal accounts”. Symposium and the Ceremony of Awards 2014 of the European Academy of Sciences (EURASC), Porto, 27-28 October 2015.