João Rocha

Full Professor

Short CV

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

Scopus Author ID: 7202074281

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

 

                                       JR

João Rocha is Full Professor of Chemistry and was Director of the University of Aveiro Institute of Materials-CICECO from 2002 to 2021.

Present Coordinator of the Council of Associated Laboratories, a bottom up organisation gathering the directors of the 40 Associated Laboratories, the main research institutes in the country in all areas of knowledge, representing ca. 9,500 researchers.

 

PRIZES AND HONOURS

João (born 1962) is member of the European Academy of Sciences (EURASC), of the Académie Royal de Belgique des Science, des Lettres et des Beaux-Arts, and of the Lisbon Academy of Sciences (Chemistry) (restricted to 5 'Efectivo' Chemists), and Fellow of both the Royal Society of Chemistry and the Chemistry Europe. In 2012-14 he was advisor for the Prime Minister of Portugal, as a member of the National Science and Technology Council. In 2021 he received the Romão Dias prize from the Portuguese Chemical Society, in 2020 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. 540 SCI papers and 25 book chapters, with (Google Scholar) ca. 27,500 citations, h index =81 (Scopus, respectively, ca. 23,500 and 72), and 4 patent applications, and gave over 250 talks (most invited) at conferences (most international). The Stanford University ranking places him at the top 2% scientists in all disciplines. He has mentored 43 post-docs and 34 Ph.D. students He has coordinated over two-dozen projects (6 European, as national PI), and consulted widely for industry.

PROFESSIONAL ACTIVITIES

João has been in the Chemistry Department, University of Aveiro, since mid 1991 and was promoted to Full Professor of Inorganic Chemistry in 1999. He gave tutorials in Inorganic Chemistry and NMR while at Cambridge. He was invited Professor at Oviedo University in 2010. He was Vice-Director of the European Multifunctional Materials Institute, a follow up of the European Network of Excellence (FAME). He represented Portugal at the ESRF-Grenoble (2004-06) and at the Chairmen of the European Research Councils of Chemistry (2005-07).

He was Chair (and is still a member) of the 'Commission on Inorganic and Mineral Structures' and is consultant of the 'Commission on NMR Crystallography and Related Methods' of the International Union of Crystallography (IUCr). He was Chair of the editorial board of European Journal of Inorganic Chemistry, and editor of the RSC Nanoscience and Nanotechnology book series, and was on the editorial board of Solid State Nuclear Magnetic Resonance, Chemistry - a European Journal. Atr present he is member of the editorial boards of Comptes Rendues de la Académie des Sciences-Chimie, and Solid State Sciences, and editorial Advisor for BMC Chemical Engineering.

He has been coordinator (PE11 CoG) and a member of assessment committees of the European Research Council Advanced and Starting Grants (PE5), IBM prize Portugal, LABEX (France), Portuguese Science Foundation, and has also reviewed projects and assessed research groups for France, Netherlands, Belgium, Luxembourg, UK, Austria. He has been a regular referee for the leading journals in Chemistry, Materials Science and NMR.

OTHER INTERESTS

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 student's 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, 2 Dan, Shotokan Kase Ha) and loves gardening, music (particularly opera), nature photography, poetry, and meeting people other than scientists and academics.

Main present collaborators

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

Scientific Interests

MAIN SCIENTIFIC ACHIEVEMENTS

• Created a field of materials akin to zeolites: microporous silicates of transition metals and lanthanides (over 100 novel Ti, Zr, V, Nb, Cu, Sn, Ca, Y, Ce and other Ln silicates, so-called AV and AM materials) processed in the form of powders, membranes and films. To be clear, these are stoichiometric materials, not metal-doped zeolites, whose archetypal solid is titanium silicate ETS-10 (Nature367: 347, 1994). He has explored applications in luminescence (J. Am. Chem. Soc., 137: 3051, 2015), catalysis, gas sorption and separation, ion exchange, magnetism and as MRI contrast agentes (J. Phys. Chem. B, 1997, 10: 7114, 1997, Eur. J. Inorg. Chem., 801, 2000J. Am. Chem. Soc., 125: 14573, 2003Angew. Chem. Int. Ed., 45: 7938, 2006J. Am. Chem. Soc., 131: 8620, 2009J. Am. Chem. Soc., 137: 3051, 2015). Outstandingly, one zirconium silicate has found a real commercial application as a drug for the treatment of hyperkalemia.

• Developed unprecedented luminescent lanthanide-bearing Metal Organic Frameworks (MOFs) and coordination polymers (Angew. Chem. Int. Ed., 47: 1080, 2008) and, in particular, pioneered the field of MOFs nanothermometry (ACS Nano7: 7213, 2013Adv. Funct. Mater., 25: 2824, 2015Chem. Eur. J., 22: 14782, 2016). Representative other contributions include MOFs transposition of chirality (Inorg. Chem., 51: 1703, 2012), Chem. Commun., 49: 11668, 2013), 2D-3D interconvertible MOFs, and photocatalytic MOFs – Cr(III) and Ag nanoparticles composites (Chem. Eur. J., 21: 11072, 2015).

• Designed a photoresponsive crystalline organic-inorganic hybrid ferroelectric material with a high Curie temperature (423 K), paving the way for accomplishing multiple-state ferroelectric memories, optical switches, and various optoelectronic devices (J. Am. Chem. Soc.,142: 16990, 2020, J. Am. Chem. Soc., 2023, doi.org/10.1021/jacs.3c01530).

 Developed oxide nanoparticles for imaging contrast agents (ACS Nano, 4: 5339, 2010), bimodal imaging (Biomater., 33: 925, 2012), and thermometry (Nature Nanotech11: 851, 2016Adv. Mater., 35: 4868, 2013).

 Designed materials for small-drugs release (including NO, J. Am. Chem. Soc., 133: 6396, 2011).

• Devised materials for a more sustainable World (including anti-mosquito nets, ACS Appl. Mater. Interfaces9: 22112, 2017; and uranyl capture Angew. Chem., Intl. Ed., 58: 1, 2019).

• Designed (ca. 40) heterogeneous catalysts based on mesoporous silicas derivatized with metal complexes (J. Mater. Chem., 12: 1735, 2002), and ordered benzene-silica hybrids with molecular-scale periodicity in the walls and different mesopore sizes (J. Mater. Chem., 13:1910, 2003).

• Elucidated the structure of minerals using NMR and XRD techniques (J. Am. Chem. Soc., 113: 7100, 1991J. Am. Chem. Soc., 114: 6867, 1992Am. Mineral., 103: 812, 2018).

• Investigated the mechanisms of adsorption and activation of CO2 on nanoporous materials (Chem. Mater., 23: 1387, 2011).

• Pioneered the development and application of solid-state NMR techniques for studying (i) quadrupolar (I>1/2) nuclei, encompassing 2H exchange NMR (J. Am. Chem. Soc., 114: 6867, 1992), quadrupole nutation and DOR (Solid State NMR1: 217, 1992), multiple-quantum MAS NMR and related techniques (FAM MQ MAS, HETCOR MQ MAS, ST MAS, I-ST MAS...) (J. Phys. Chem., 100: 17889, 1996Solid State NMR, 21: 61, 2002Magn. Reson. Chem., 41: 679, 2003), and (ii) 1H high-resolution CRAMPS techniques (FSLG, PMLG, DUMBO) (J. Mag. Reson., 199: 111, 2009Chem. Phys. Lett., 470: 337, 2009). Recent interests include NMR crystallography (Cryst. Grow Design, 13: 2390, 2013) and the development of molecules to probe by NMR microporous solids (J. Am. Chem. Soc., 143: 13616, 2021).

SOCIETAL IMPACT

Rocha is perhaps best known for having extended the realm of zeolitic materials to transition metal and Ln silicate solids. In this context, he developed several microporous zirconium silicates. One such material (AV-13, Inorg. Chim Acta, 356: 19, 2003), in a modified form, was eventually explored by the US company ZS Pharma, now part of AstraZeneca, to treat a medical condition known as hyperkalemia (excess K+ in serum). The new drug Lokelma (oral intake) has been approved by FDA and the EMA and is expected to be on the market this year.

 

                                                

Teaching Activity

At present, João is on sabbatical leave. Normally he lectures on Inorganic and Materials Chemistry and Nuclear Magnetic Resonance Spectroscopy.

Present Research Group


João has supervised(es) 43 post-docs and 34 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 - Carlos Bornes (L Mafra), Orlando Oliveira (Laura Salonen), Celso Cardoso (Eduarda Pereira), Gonçalo Valente (Manuel Souto), Luis Fontes (Samuel Guieu , Artur Silva), Judite Resende (Sónia Santos, Armando Silvestre), Luís Veríssimo (Andrei Kholkin), Marcos Bento  (Paulo Martinho IST), Catarina Ribeiro (Manuel Souto), Cristiana Maganito (Carlos Silva)

Present projects

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

NATIONAL - 3 PRAXIS XXI, STRIDE; 3 POCTI other small projects.
- “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.

National(PORC-MaisCentro)
- “Biomaterials for Regenerative Medicine", SCT_2011_02_030_4872.
- "Protein aggregation across the lifespan – pAGE", CENTRO-01-0145-FEDER-000003, Co-PI, 2017-2020.


RUNNING ACADEMIC PROJECTS


- "Photo-responsive organic-inorganic hybrid multiferroics: A way toward multifunctional electronics", PTDC/CTM-CTM/4044/2020 (Co-PI).
- "Redox-active Metal-Organic Frameworks as Electrode Materials for Lithium-Ion Batteries", PTDC/QUI-ELT/2593/2021 (PI).


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.

Selected Publications

1. MICROPOROUS MATERIALS

Transition Metal (and Al, Sn) Silicates & Zeolites                

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" Nature367: 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. B103: 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).

9) Bornes, C., Fischer, M., Geraldes C., Rocha, J., Mafra L., “What is being measured with P-bearing NMR probe molecules adsorbed on zeolites?”, J. Am. Chem. Soc.143: 13616-13623 (2021).

10) Santos-Vieira, I. C. M. S., Lin, Z., Rocha, J., “Towards the sustainable synthesis of microporous and layered titanosilicates: mechanochemical pre-treatment reduces the water amount”, Green Chem., 24: 5088-5096 (2022).

11) Lin, Z., Tavares, D., Pereira, E., Rocha, J., “Microporous framework (Nb, Fe)-silicate with much potential to remove rare-earth elements from waters”, Chemistry, Eur. J., 28: e202202435 (2022).

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", Zeolites19: 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. C115: 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”, Nanoscale7: 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. Luminescence180: 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).

8) 502.Brites, C. D. S., Zhuang, B., Debasu, M. L., Ding, D., Qin, X., Rocha, J., Lim, W. W. W., Soh, D. E., Liu, X., Carlos, L. D., “Decoding a percolation phase transition of water at ~330 K with a nanoparticle ruler”, J. Phys. Chem. Lett., 11: 6704-6711 (2020).

                                                             

3. ORGANIC-INORGANIC HYBRID MATERIALS

 

Metal Organic Frameworks and Related Materials  (including COFs) 

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 Nano7: 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. Interfaces9: 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).

21) Silva, R.M., Carlos, L. D., Rocha, J., Silva R., “Luminescent thin films of Eu-bearing UiO-66 metal organic framework prepared by ALD/MLD”, Applied Surface Science, 527: 146603 (2020).

22) Souto, M., Strutyński, K., Melle-Franco, M., Rocha, J., “Electroactive organic building blocks for the chemical design of functional porous frameworks (MOFs & COFs) in electronics”, Chemistry, Eur. J., 26: 10912-10935 (2020).

23) Frey, L., Oliveira, O., Sharma, A., Guntermann, R., Fernandes, S.P.S. Cid-Seara, K. M., Abbay, H., Thornes, H., Döblinger, M., Kowalczyk, T., Rao, A., Rocha, J., Salonen, L. M., Medina, D. D., “Building blocks and COFs formed in concert – three-component synthesis of pyrene-fused azaacene Covalent Organic Framework bulk and films”, Angew. Chem., Intl. Ed., (2023) doi.org/10.1002/anie.202302872

 

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. C111: 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 Nano4: 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).

16) Fernandes, A. C., Pinto, R., Carvalho, S., Mafra, L., Rocha, J., Pinto, M., Antunes, F., Pires, J., “Storage and delivery of H2S by microporous and mesoporous materials”, Microporous Mesopor. Mater., 320: 11109 (2021).

                                                           

5. ORGANIC-INORGANIC FERROELECTRIC

 

1) Xu, W-J., Kopyl, S., Kholkin, A., Rocha, J., “Hybrid organic-inorganic perovskites: Polar properties and applications”, Coord. Chem Rev., 387: 398-414 (2019).

2) Xu, W.-J., Romanyuk, K., Martinho, J. M. J., Zeng, Y., Zhang, X.-W., Ushakov, A., Shur, W., Zhang, W.-X., Chen, X.-M., Kholkin, A., Rocha, J., “A photo-responsive organic-inorganic hybrid ferroelectric designed at molecular level”, J. Am. Chem. Soc., 142: 16990 (2020).

3) Xu, W.-J., Romanyuk, K., Zeng, Y., Ushakov, A., Shur, V., Tselev, A., Zhang, W.-X., Chen, X.-M., Kholkin, A., Rocha, J., “Statics and dynamics of ferroelectric domains in molecular multiaxial ferroelectric (Me3NOH)2[KCo(CN)6]”, J. Mater. Chem. C, 9: 10741-10748 (2021).

4) Xu, W.-J., Li, M.-F., Martinho, J. M. G. Romanyuk, K., Zelenovskii, P., Tselev, A., Verissimo, L., Zhang, W.-X., Chen, X.-M., Kholkin, A., Rocha, J., “Molecular design of a metal–nitrosyl ferroelectric with Reversible Photoisomerization”, J. Am. Chem. Soc. (2023) doi.org/10.1021/jacs.3c01530

 

6. 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) Silva, R. N., Costa, C. C., Santos, M. J. G., Alves, M. Q., Braga, S. S., Vieira, S. I., Rocha, J., Silva, A. M. S., Guieu, S., “Fluorescent light-up probe for the detection of protein aggregates”, Chem. Asian J., 859-863 (2019).

 

7. 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 NMR8: 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).

 

8. 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 NMR1: 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 NMR21, 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 NMR23: 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 NMR28: 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. A116: 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).

      

21) Tier, A. Z., Wust, K. M., Vieira, J. B., Sardo, M., Čendak, T., Mafra, L., Rocha, J., Gindri, I. M., Villetti, M. A., Garcia, I. T. S., Hörner, M., Frizzo, C. P., “Nature of the multicomponent crystal of salicylic acid and 1,2-phenylenediamine”, Crys. Eng. Comm., 22: 708-719 (2020).

 

SELECTED TALKS 2015-2022

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

J. Rocha, “The importance of being porous: silicates and organic-inorganic hybrid materials”, 8thEuChemS Chemistry Congress, 28 August-1 September 2022, Lisbon, Portugal.

J. Rocha, “MOFs and coordination polymers: from luminescence thermometry to ferroelectricity”, Seventh International Conference on Multifunctional, Hybrid and Nanomaterials, 19-22 October 2022, Genoa, Italy.

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.

Ongoing Supervisions

Projects

Biomaterials for Regenerative Medicine (CENTRO-07-0924-FEDER-002030)

CoordinatorOther National

CAPACITAR O CICECO PARA INTERNACIONALIZAR A I&DT EM MATERIAIS E INCREMENTAR A COMPETITIVIDADE NACIONAL (CENTRO-07-0962-FEDER-002003 #1)

CoordinatorOther National

CAPACITAR O CICECO PARA INTERNACIONALIZAR A I&DT EM MATERIAIS E INCREMENTAR A COMPETITIVIDADE NACIONAL (CENTRO-07-0962-FEDER-002003 #2)

CoordinatorUA

Centre for Research in Ceramics and Composite Materials - CICECO (LA0011: 2002-2010) (UI CICECO (UI 600/02) + POCI/LA11/2005)

CoordinatorFundação para a Ciência e a Tecnologia

Centre for Research in Ceramics and Composite Materials - CICECO (LA0011: 2011-2012) (PEst-C/CTM/LA0011/2011)

CoordinatorFundação para a Ciência e a Tecnologia

Centre for Research in Ceramics and Composite Materials - CICECO (LA0011: 2013-2014) (PEst-C/CTM/LA0011/2013)

CoordinatorFundação para a Ciência e a Tecnologia - R&D Unit Pluriannual funding

Centre for Research in Ceramics and Composite Materials - CICECO - INCENTIVO 2013 (INCENTIVO/CTM/LA0011/2013)

CoordinatorFundação para a Ciência e a Tecnologia - R&D Unit Pluriannual funding

Centre for Research in Ceramics and Composite Materials - CICECO - INCENTIVO 2014 (INCENTIVO/CTM/LA0011/2014)

CoordinatorFundação para a Ciência e a Tecnologia - R&D Unit Pluriannual funding

CICECO - Aveiro Institute of Materials (UID/CTM/50011/2013)

CoordinatorFundação para a Ciência e a Tecnologia - R&D Unit Pluriannual funding
Materials to be developed span from ceramics and inorganic materials to soft matter, biopolymers and organic-inorganic hybrids. They will be ‘right-size’ materials, prepared and processed at the appropriate length scale, or hierarchically structured, often multifuncional. Examples of the applications we wish to pursue are:- Green pho...

CICECO - Aveiro Institute of Materials (UID/CTM/50011/2019)

CoordinatorFundação para a Ciência e a Tecnologia - R&D Unit Pluriannual funding
Materials to be developed span from ceramics and inorganic materials to soft matter, biopolymers and organic-inorganic hybrids. They will be ‘right-size’ materials, prepared and processed at the appropriate length scale, or hierarchically structured, often multifuncional. Examples of the applications we wish to pursue are: - Green ...

CICECO - Aveiro Institute of Materials (UID/CTM/50011/2013)

CoordinatorFundação para a Ciência e a Tecnologia - R&D Unit Pluriannual funding
Materials to be developed span from ceramics and inorganic materials to soft matter, biopolymers and organic-inorganic hybrids. They will be ‘right-size’ materials, prepared and processed at the appropriate length scale, or hierarchically structured, often multifuncional. Examples of the applications we wish to pursue are:- Green pho...

Controlling the length scale through "Chimie Douce": from inorganic functional materials to organic-inorganic hybrids (POCTI/CTM/46780/2002)

CoordinatorFundação para a Ciência e a Tecnologia
Functional Inorganic Materials Chimie Douce Organic-Inorganic Hybrids Luminescence

Delivery vehicles of therapeutic gasotransmitters NO and H2S based on nanoporous materials (PTDC/MED-QUI/28721/2017)

Local CoordinatorFundação para a Ciência e a Tecnologia

EJD-FUNMAT - European Joint Doctorate in Functional Materials Research (EJD-FUNMAT)

PartnerEuropean Comission
EJD-FunMat is a European Joint Doctoral programme in the field of functional materials research.EJD-FunMat is embedded in an existing research network, with previous experience in co-tutelle doctorates , but the project will add new major elements, with the strategic aim of becoming a permanent reference European Joint Doctoral Schoo...

ENERMATaa (ENERMATaa)

Local CoordinatorEuropean Comission
ENERMAT.aa is a European project whose goal is to implement a sustainable transnational network of cooperation between public research structures and small and medium industries of the Atlantic Area in the materials for energy field. ENERMAT.aa essentially focuses on developing transnational partnerships around European centers of excellence spe...

Especies de CO2 formadas a superficie de materiais porosos para aplicacoes ambientais caracterizadas por RMN de polarizacao nuclear dinamica (GAS2MAT-DNPSENS)

PartnerFundação para a Ciência e a Tecnologia

FAME - Functionalised Advanced Materials and Engineering of Hybrids and Ceramics (FAME)

Local CoordinatorEuropean Comission
FAME will assemble, structure, integrate and expand a world class-team exhibiting a critical mass of researchers in multifunctional Hybrids and Ceramics remaining at the forefront of this emerging and strategically important family of materials technologies for tomorrow. Today the hybrids and ceramics communities are too fragmented to face up to...

From inexpensive raw materials to new luminescent glass materials (InLumGlass)

Local CoordinatorFundação para a Ciência e a Tecnologia
Fotoluminescência; Vidro; Zeolitos; Nanocristais

Immobilized photosensitizers as new materials in water treatment (POCI/CTM/58183/2004)

PartnerFundação para a Ciência e a Tecnologia
Photosensitizers Silica based material Immobilization Microorganisms inactivation

Immobilized surface rare earth and actinide aryloxides Activation of small molecules (CO2,CH4,C2H6) (POCTI/QUI/42919/2001)

Local CoordinatorFundação para a Ciência e a Tecnologia
Organometallic surface chemistry Immobilized catalysts Block f elements aryloxides Activation of CO2, CH4, C2H6

Improving the Central X-Ray Diffraction Laboratory at University of Aveiro (REEQ/183/QUI/2005)

CoordinatorFundação para a Ciência e a Tecnologia
The single crystal X-ray diffractometer equipped with an area detector (CCD) is installed in the Department of Chemistry / CICECO since September 2006. In this period of time, the equipment was used extensively for collecting X-ray structural data collection of small molecules and framework solids prepared by members of associated laboratories C...

Luminescent Lanthanide Silicate Synthesis Using Lanthanide Complexes as Structure Directing Agents (POCI/CTM/58863/2004)

PartnerFundação para a Ciência e a Tecnologia
Functional Inorganic Materials Luminescence Microporous Silicates Lanthanide Complexes

Luminescent Metal Organic Frameworks for anti-counterfeiting and logic computing (LUMIMOF)

CoordinatorEuropean Comission
Data security and protection is a global key concern, challenging industry, governments and customers. The EU-funded LUMIMOF project aims to develop ground-breaking luminescent metal–organic frameworks at the nanometer level to be used in anti-counterfeiting applications and in logic computing gates, able to be tailored to a variety of existing ...

MNAA - Centres of excellence in materials for the economic development of the Atlantic Area (MNAA - MATERIALS NETWORK FOR THE ATLANTIC AREA)

Local CoordinatorOther International
A network dedicated to industryGather academic human and materials resources-to create a critical mass sufficient to tackle high technology research-to exploit the complementarities of the partnersShare our best practices in Technology Transfer processIdentify weaknesses and...

Nanopartículas integrando aquecedores e termómetros: aplicações ao movimento Browniano e em hipertermia (nanoHYperTHerm)

PartnerFundação para a Ciência e a Tecnologia
Nanotermómetros; Nanoaquecedores; Hipertermia; Upconverting nanoparticles

Nanostructured Photoluminescent rare-earth nanotubes and microporous silicates (PTDC/CTM/73243/2006)

CoordinatorFundação para a Ciência e a Tecnologia
Nanotubes Microporous Rare Earth Photoluminescence

New hydroxypyrimidinone-grafted solid chelating matrices for environmental and biological applications (PTDC/QUI/65647/2006)

Local CoordinatorFundação para a Ciência e a Tecnologia
Chelating matrices Specific chelators Hydroxypyrimidinones Hazardous metals

Novel Multidimensional Lanthanide-Organic Frameworks: Hydrothermal Synthesis, Structural Characterisation and Applications (POCI/QUI/58377/2004)

PartnerFundação para a Ciência e a Tecnologia
Crystal Engineering Lanthanide-Organic Frameworks Coordination Polymers Functional Materials

PTNMR - Portuguese Nuclear Magnetic Resonance Network (REDE/1517/RMN/2005)

Local CoordinatorFundação para a Ciência e a Tecnologia
The main mission of the Portuguese Nuclear Magnetic Resonance Network (PTNMR) is to provide to the scientific community with access to modern and up-to-date NMR spectrometers, housed in scientific institutions with competence and scientific expertise on the use of this type of equipment. The Portuguese NMR network was created with the support of...

Rational design of hybrid organic-inorganic interfaces: the next step towards advanced functional materials (HINT)

PartnerEuropean Comission
Hybrid organic-inorganic (HOI) materials synthesized using soft inorganic chemistry allow a combination of organic and inorganic units at molecular/nanoscale level, thereby opening access to a wide spectrum of multifunctionality not possible with traditional concepts of materials science. These innovative multifunctional materials will have a ma...

Rede Nacional de Ressonância Magnética Nuclear (PTNMR)

Local CoordinatorFundação para a Ciência e a Tecnologia - REDES

Regularity and stability of ordered mesoporous materials containing aluminium and titanium (POCTI/CTM/45859/2002)

Local CoordinatorFundação para a Ciência e a Tecnologia
MCM stability pore structure modification

Relação entre as propriedades de fotoluminescência e a estrutura em híbridos orgânicos/inorgânicos com aplicações ópticas (POCI/V.5/A0067/2005)

PartnerFundação para a Ciência e a Tecnologia

SGH : Smart Green Homes (Smart Green Homes)

PartnerIndustry National
The Smart Green Homes (SGH) Project aims to develop integrated product and technology solutions for the households, raising standards of comfort, safety and user satisfaction to a new level and, at the same time, to respond to the problems of sustainability of the Planet, increasing the energy efficiency and reducing the emission of gaseous poll...

Targeted Contrast Agents for Magnetic Resonance Imaging (MRI) and Nuclear Scintigraphy (TARCAS) (POCTI/QUI/47005/2002)

Local CoordinatorFundação para a Ciência e a Tecnologia
Agentes de Contraste Vectorizados Cintigrafia Nuclear IRM Reconhecimento Molecular

Water Nanodrops in Microporous and Inorganic-Organic Hybrid Materials (PTDC/QUI/65805/2006)

CoordinatorFundação para a Ciência e a Tecnologia
Water Clusters Microporous materials Organic-inorganic hybrids Nanostructures

Publications

Asymmetric cationic methyl pyridyl and pentafluorophenyl porphyrin encapsulated in zeolites: A cytochrome P-450 model

Skrobot, FC; Rosa, ILV; Marques, APA; Martins, PR; Rocha, J; Valente, AA; Iamamoto, Y
2005, JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL, 237, 1-2, 86-92.

Methane oxidation over Fe-, Co-, Ni- and V-containing mixed conductors

Kharton, VV; Yaremchenko, AA; Valente, AA; Sobyanin, VA; Belyaev, VD; Semin, GL; Veniaminov, SA; Tsipis, EV; Shaula, AL; Frade, JR; Rocha, J
2005, SOLID STATE IONICS, 176, 7-8, 781-791.

First stoichiometric large-pore chromium(III) silicate catalyst

Brandao, P; Valente, A; Ferreira, A; Amaral, VS; Rocha, J
2004, MICROPOROUS AND MESOPOROUS MATERIALS, 69, 3, 209-215.

Synthesis and characterization of tungsten trioxide powders prepared from tungstic acids

Nogueira, HIS; Cavaleiro, AMV; Rocha, J; Trindade, T; de Jesus, JDP
2004, MATERIALS RESEARCH BULLETIN, 39, 4-5, 683-693.

Synthesis and properties of Zn-Al layered double hydroxides containing ferrocenecarboxylate anions

Gago, S; Pillinger, M; Santos, TM; Rocha, J; Goncalves, IS
2004, EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 7, 1389-1395.

Synthesis and characterisation of the first three-dimensional mixed-metal-center inorganic-organic hybrid framework with N-(phosphonomethyl)iminodiacetate

Paz, FAA; Shi, FN; Klinowski, J; Rocha, J; Trindade, T
2004, EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 13, 2759-2768.

Novel phosphovanadate layered structure assembled from a tetrametallic cubane-like V-v cluster

Shi, FN; Paz, FAA; Rocha, J; Klinowski, J; Trindade, T
2004, EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 15, 3031-3037.

Incorporation of a (cyclopentadienyl)molybdenum oxo complex in MCM-41 and its use as a catalyst for olefin epoxidation

Abrantes, M; Gago, S; Valente, AA; Pillinger, M; Goncalves, IS; Santos, TM; Rocha, J; Romao, CC
2004, EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 24, 4914-4920.

Mg,Al layered double hydroxides with intercalated indomethacin: Synthesis, characterization, and pharmacological study

Del Arco, M; Cebadera, E; Gutierrez, S; Martin, C; Montero, MJ; Rives, V; Rocha, J; Sevilla, MA
2004, JOURNAL OF PHARMACEUTICAL SCIENCES, 93, 6, 1649-1658.

Eu3+ doped polyphosphate-aminosilane organic-inorganic hybrids

Dias, FA; Ribeiro, SJL; Goncalves, RR; Messaddeq, Y; Carlos, LD; Bermudez, VD; Rocha, J
2004, JOURNAL OF ALLOYS AND COMPOUNDS, 374, 1-2, 74-78.

Characterisation of pharmaceutical solids combining NMR, X-ray diffraction and computer modelling

In María Angeles Canales (Eds.), Biophysical Techniques in Drug Discovery
Mariana Sardo, Inês Martins, Chiara Vladiskovic, M.Teresa Duarte, João Rocha, Norberto Masciocchi and Luís Mafra
2018, 120-169, Royal Society of Chemistry.
ISBN: 978-1-78262-733-3

Nanotecnologias e nanoética

In Maria do Céu Patrão Neves (Eds.), Ética Aplicada: Novas Tecnologias
João Rocha
2018, 87-122, Edições 70, Almedina.
ISBN: 978-972-44-2131-5

Solid-state NMR applications in the structural elucidation of small molecules

In Cid, M-M and Bravo, J. (Eds.), Structure Elucidation in Organic Chemistry: The Search for the Right Tools
Sardo, M., Rocha, J. and Mafra, L.
2015, Wiley-VCH.
ISBN: 978-3-527-33336-3

N-(Phosphonomethyl)iminodiacetic Acid in the Construction of Coordination Polymers

Metal Phosphonate Chemistry: From Synthesis to Applications
Paz FAA, Rocha J
2012, London, Royal Society of Chemistry.
ISBN: 978-1-84973-356-4

Layered Titanosilicates

In M. F. Brigatti and A. Mottana (Eds.), Layered mineral structures and their Application in Advanced Technologies
Lin Z, Paz FAA, Rocha J
2011, New York, European Mineralogical Union and the Mineralogical Society of Great Britain & Ireland.
ISBN: 978-0-903056-27-4

Crystallization of microporous titanosilicate membranes from clear solutions.

In R Xu, Z Giao, J Chen and W Yan (Eds.), From Zeolites to Porous MOFs - The 40th Anniversary of International Zeolite Conferences. Studies in Surface Science and Catalysis
Lin Z, Rocha J
2007, 170, 493-498, Amstesdam, Elsevier.
ISBN: 978-0444531858

29Si MAS NMR and raman spectroscopy studies of synthetic microporous (Zr, Hf)-umbite

In Čejka J, Žilková N, Nachtigall P (Eds.), Studies in Surface Science and Catalysis
Lin Z, Rocha J
2005, 158 , 861-868, Prague, Czech Republic.
ISBN: 978-0-444-51670-1

Microporous mixed octahedral-pentahedral tetrahedral framework oxides

In Giovanni Ferraris, Stefano Merlino (Eds.), Reviews in Mineralogy & Geochemistry - Micro- and Mesoporous Mineral Phases
Lin Z , Rocha J
2005, 57, 173-201, Mineralogical Society of America, Geochemical Society .
ISBN: 978-0-939950-69-0

Preparation of titanosilicate ETS-10 and vanadosilicate AM-6 membranes

In Čejka J, Žilková N, Nachtigall P (Eds.), Studies in Surface Science and Catalysis
Tiscornia I, Lin Z, Rocha J, Téllez C, Coronas J
2005, 158 A, 423-430.
ISBN: 978-0-444-51670-1

Progress in multiple-quantum magic-angle spinning NMR spectroscopy

In Klinowski J (Eds.), New techniques in solid-state nmr-topics in current chemistry
Rocha J, Morais CM, Fernandez C
2005, 246, 141-194, Springer.
ISBN: 978-3540221685

Progress in Multiple-Quantum Magic-Angle Spinning NMR Spectroscopy

Topics in Current Chemistry
Rocha J, Morais CM
2004, 246, 141-194, Berlin,Heidelberg , Springer-Verlag.
ISBN: 978-3-540-71426-2

Patents

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