João Rocha
  Director  
   
  phone: 234 370 730  
  extension: 23 550  
  e-mail: rocha@ua.pt  
  department: Chemistry  
  office: 15.3.24  
   
  group: 1 - inorganic functional nanomaterials and organic-inorganic hybrids
 
  line: 1 - information and communication technology
 
  direct url: http://www.ciceco.ua.pt/jr  
   
Short CV

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

 

                                       JR

João Rocha is Full Professor of Chemistry and Director of the University of Aveiro Institute of Materials-CICECO, the largest Materials Science and Engineering Institute in Portugal.

 

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 13 Chemists), and Fellow of both the Royal Society of Chemistry and the ChemPubSoc 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 2017 he received 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. 480 SCI papers and 24 book chapters, with ca. 16,300 citations and Scopus h-index 60 (Google Scholar, respectively, ca. 19,300 and 68), and 4 patent applications, and gave over 200 talks (most invited) at conferences (most international). He has mentored 40 post-docs and 25 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 was on the editorial board of Solid State Nuclear Magnetic Resonance. At present, he is editor of the RSC Nanoscience and Nanotechnology book series, a member of the editorial boards of Chemistry - a European Journal, and Solid State Sciences, and editorial Advisor for BMC Chemical Engineering.

He has been coordinator and a member of assessment committees of the European Research Council Advanced and Starting Grants, IBM prize Portugal, LABEX (France), Portuguese Science Foundation (grants and research institutions), and has also reviewed projects and assessed research groups for France, Netherlands, Belgium, Luxembourg, UK, Austria. He is regularly called upon by the Portuguese Science Foundation (FCT) to coordinate the panel awarding post-doc and Ph.D. grants in Materials Science and Engineering, and in 2003 he headed the panel (of foreign scientists) that evaluated the Portuguese Materials Science and Engineering research groups. He has been a regular referee for the leading journals in Chemistry, Materials Science and NMR (Springer Nature).

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 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), and meeting people other then scientists and academics.

Scientific Interests

MAIN SCIENTIFIC ACHIEVEMENTS

- Created a field of materials akin to zeolites: microporous silicates of transition metals and lanthanides (ca. 100 novel Ti, Zr, V, Nb, Cu, Sn, Ca, Y, Ce and other Ln silicates - AV and AM materials). To be clear, these are stoichiometric materials, not metal-doped zeolites, whose archetypal solid is titanium silicate ETS-10 (Nature, 367: 347, 1994). We have explored applications in luminescence (J. Am. Chem. Soc., 137: 3051, 2015), catalysis, gas sorption and separation, ion exchange, magnetism and as MRI contrast agents. Outstandingly, one zirconium silicate (Inorg. Chim Acta356: 19, 2003) has found a real commercial application as a drug for the treatment of hyperkalemia (excess K+ in serum, see below).

- Developed sophisticated luminescent lanthanide-bearing Metal Organic Frameworks and coordination polymers (Angew. Chem. Int. Ed., 47: 1080, 2008), in particular for nanothermometry (Adv. Funct. Mater., 25: 2824, 2015).

- Developed oxide nanoparticles for imaging contrast agents (ACS Nano, 4: 5339, 2010), bimodal imaging (Biomater., 33: 925, 2012), and for nanothermometry (Nature Nanotech, 11: 851, 2016; Adv. 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. Interfaces, 9: 22112, 2017).

 -Designed (ca. 40) heterogeneous catalysts based on mesoporous silicas derivatized with metal complexes (J. Mater. Chem., 12: 1735, 2002).

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

- Pioneered development of solid-state NMR techniques for studying quadrupolar nuclei (Solid State NMR, 21: 61, 2002; Magn. Reson. Chem., 41: 679, 2003) and 1H (J. Mag. Reson., 199: 111, 2009).

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.

 

                                                

Main present collaborators

Portuguese Aveiro – Luís Carlos, Zhi Lin, Filipe Paz, Luís Mafra; Coimbra – Carlos Geraldes

European Michael Anderson (UMIST, UK), Jacek Klinowski (Cambridge, UK), Luis Liz-Marzán (San Sebastián and Bilbao, Spain) Christian Serre (Versailles, France), Clement Sanchez (Collége de France), Marie-Helene Delville (Bordeaux, France), Vicente Rives (Salamanca, Spain); Rúben Garcia and Garcia Granda (Oviedo, Spain), Fernando Rey, Avelino Corma (Valencia, Spain), Giovanni Ferraris (Torino, Italy)

                                      

 

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) 40 post-docs and 25 Ph.D. students. At present his group includes:

Researchers - Maria Sardo, Ricardo Mendes, Ricardo Vieira

Technicians with PhD - Paula Brandão, Paula Santos

Post-Docs - Duarte Ananias (L. Carlos), Mengistie Debasu (L. Carlos), Isabel Vieira, Ricardo Silva (R. Silva, L. Carlos), Flávio Figueira (J. Rocha, F. Paz), Wei Xu (Andrei Kholkin)

PhD students - Patrícia Vaz (Artur Silva, Samuel Guieu), Carlos Bornes (L Mafra), Orlando Oliveira (Laura Salonen)

Research grantees - Ana Freitas

 

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"
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.

RUNNING 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 

Selected Publications

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" 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).

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). 

                                                             

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 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). 

 

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).

                                                           

5. 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).

 

6. 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).

      

 

SELECTED TALKS 2013-2017 (OUT OF CA. 40)

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

J. Rocha (replacing J. A. Rogers), “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.

J. Rocha, “Luminescent Lanthanide-Organic Fameworks for Sensing and Nanothermometry”. 41st International Conference on Coordination Chemistry, July 21-25, 2014, Singapore.

J. Rocha, “Beyond zeolites: multifunctional microporous silicates and MOFs” 1st Euro-Asia Zeolite Conference (EAZC2013), January 20-23, 2013, Macau.

J. Rocha, “Functional Microporous Materials: Beyond Catalysis”. XLV Polish Annual Conference on Catalysis, March 13-15, 2013, Krakow, Poland.

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

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, 13-14 June 2016 Rome.

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.

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