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Universidade de Aveiro – DQ

 

Centro Português de Ressonância Magnética Nuclear
Departamento de Química
Universidade de Aveiro
Campus Universitário de Santiago
3810-193 Aveiro
Portugal
Tel: +351 967 473 368
Tel: +351 967 473 271
       
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NMR Equipment
  • Bruker Avance Neo 400 with DNP system
  • Bruker Avance III HD 700
  • Bruker Avance III HD 500
  • Bruker Avance III HD 500 with LC-NMR
  • Bruker Avance III 400
  • Bruker Avance III 300
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CPNMR

Booking | Scheduling

ssnmr calendar

 

Main Research Topics

Solid-state NMR

João Rocha

From 1988 to 1995 we have pioneered the development and application of certain techniques for the study of quadrupolar nuclei, such as 2H exchange spectroscopy, quadrupole nutation and double rotation, and satellite transition spectroscopy.[1-3] From 1995 on we focused on half-integer quadrupolar nuclei and had a lot of fun with multiple-quantum (MQ) MAS NMR [4] and related techniques, such as FAM MQ MAS [5], HETCOR MQ MAS [6] and ST MAS, I-ST MAS,[7] including SPAM-multiplex methods,[8] and 3D 27Al-31P MQ-HMQC.[9] Much of this work was concentrated on inorganic materials such as clays and layered solids, zeolites and other micro and mesoporous materials. In the last few years we became interested in using high-resolution 1H CRAMPS techniques (FSLG, PMLG, DUMBO) for studying organic-inorganic hybrid materials.[10-13] We have just started work on small proteins. In 2007 we initiated in Aveiro (with F. Taulelle) the international event ‘SMARTER – Structure elucidation by coMbining mAgnetic Resonance, compuTation modEling and diffRactions’, bridging scientific communities. SMARTER 2 was held in Aveiro in 2011 and the third was held in Paris 2012.

Luís Mafra

In the first 10 years he worked on methodological development and applications in solid-state (ss) NMR using high-resolution methods to observe 1H (CRAMPS) and quadrupolar spins to study small molecules and inorganic-organic hybrid materials.[13-22] 1D and 2D heteronuclear and homonuclear high-resolution 1H Lee-Goldburg based CRAMPS NMR techniques in solids (e.g., FSLG, LG-CP) have been first implemented in Portugal by him during his PhD (2003-06).[14] In particular, modern 1H homonuclear decoupling schemes such as PMLG and DUMBO/eDUMBO have been exploited to study various systems of biological and pharmaceutical interest.[14-18] Our interest in combining fast MAS (up to 67 kHz) with 1H CRAMPS [16] led us to the improvement of 1H-1H Double-Quantum (DQ) spectra using RN symmetry-based recoupling pulse sequences [17] and the possibility to record high-resolution 1H-quadrupolar spectra.[13] From 2012 to present his research interests include the combination of advanced ssNMR techniques with XRD and computational methods to study crystal packing interactions in small molecule pharmaceuticals,[23-28] and the surface chemistry of porous materials relevant for heterogeneous catalysis [29-33] and gas capture applications.[34-40] He is presently dedicated to study modified nanoporous solid chemisorbents relevant for post-combustion CO2 capture developing ssNMR methodologies and modeling to study CO2 speciation at material’s surfaces using labeled gases containing NMR-friendly isotopes.

Mariana Sardo

Main topics of research involve the application of high-resolution multinuclear and multidimensional NMR spectroscopy towards: (i) the study of gas-solid interactions in modified porous solid sorbents with potential for gas sorption of gases labeled in key NMR-friendly isotopes [34, 35, 37, 38, 40]; (ii) the study of packing interactions in small molecules, namely micro-crystalline proteins and powdered drugs, combining solid-state NMR methods, XRD and computational approaches to study crystal packing interactions (NMR crystallography) [25-28; 41-44] and (iii) the study of drug-drug and drug-host interactions of molecular scaffolds as drug delivery systems.[45-48]

Paula Santos – Solid-State NMR Senior Technician

In charge of the technical maintenance and operation of the solid-state NMR spectrometers at the NMR laboratory of the University of Aveiro. I provide service to internal and external users, train researchers in the use of spectrometers and support their work. I am also in charge of scheduling and monitoring the use of spectrometer’s time, monitoring, ordering and ensuring the timely delivery of the cryogens and gases needed, refilling magnets with cryogens, managing repairs and assuring the maintenance of the spectrometers and peripheral equipment, troubleshooting, supporting the financial management and writing of reports.

 

Liquid-state NMR

Artur Silva – Small Molecules

Solution state NMR is being used as the main tool for the comprehensive structural characterization of synthetic and natural compounds as well as to establish their conformations and configurations, and, in some cases, the absolute configuration of their stereogenic centres. His scientific interests are: a) synthesis and structural characterization of oxygen and nitrogen heterocyclic compounds; b) chemical composition of plants; namely the isolation and structural characterization of natural compounds; c) structural characterization of natural compounds from food matrixes.[49-88]

Ana Gil – Small molecules, HRMAS NMR and hyphenated NMR (LC-NMR); Solid-State NMR

Her main research interests are centered in NMR metabolomics, applied to biological systems (biofluids, intact tissue, tissue/material systems, 2D/3D cell cultures) affected by disease (cancer, prenatal diseases, rare metabolic diseases, degenerative diseases), [89-105] therapeutics, [96-98] toxicological and environmental [99-101] stresses, or differentiation cues (stem cell metabolism), [102] for identification of novel biomarkers with possible clinical use. Other interests relate to food research areas, namely the use of metabolomics in nutritional studies (biofluids and gut microflora) to assess the effect of new diets, and in the development of new food products or food quality control processes. [103-105]

Brian Goodfellow – Heme Metabolism; Bioinorganic Chemistry; Metabolomics

I am interested in proteins involved in heme metabolism and have studied the presequence of the first protein involved in heme biosynthesis, 5-amino levulinic acid synthase [106], and have determined the solution structure and heme-binding site of murine p22HBP [107-108]. Here we have identified a novel fold and binding site not seen before in a eukaryotic protein. The function of this protein is unknown. I am also interested a related protein SOUL which has been found to be a novel BH3 domain containing protein that does not bind heme [108].

I am also involved in the study of small metalloproteins containing simple Fe-S centres to probe how these centres are stabilized by, in particular, hydrogen bonds. By replacing the native Fe by diamagnetic metals, such as Zn and Cd the structure of these proteins can be obtained and by using paramagnetic derivatives, such as Ni, the electronic distribution at the active site can be probed using residual dipolar coupling and pseudocontact shifts [109-110]. The use of NMR based metabolomics is also an area of interest, especially as applied to biofluids for disease diagnosis and prediction in the area of prenatal health [111-114].

Iola Duarte – HRMAS; Metabonomics

As a researcher in the field of cell metabolism, I have been applying NMR-based metabolomics to the analysis of complex biological samples (cells, tissues and biofluids), in order to assess the metabolic signatures and pathways involved in cellular responses to pathophysiological conditions and external stimuli. My main research interests and activity focus on: i) metabolic rewiring and modulation of innate immune cells [115-117]; ii) tumour metabolism and metabolic interactions in the tumour microenvironment [118-121]; iii) immunomodulatory and anti-cancer activity of nanomaterials [122-125]; iv) characterization of metabolic activity in 3D cellular models [126,127]; v) in vitro/in vivo toxicity and sub-toxic effects of engineered nano/biomaterials. [128-130]

Hilário Tavares – Liquid-State NMR Senior Technician

Responsible for the operation and technical maintenance of liquid NMR spectrometers. Specific roles include filling magnets with liquid nitrogen and liquid helium and acting as the first point of contact for external engineers and suppliers of NMR-related goods or services. Other responsibilities include the maintenance of the NMR suite, including the computational facilities and preparative areas, ensuring a safe work environment, managing the uptime of spectrometers for internal and external users as well as performing analyses analytics for external users who require an NMR service on a commercial basis.

 

Selected Publications

  1. 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). https://doi.org/10.1016/0022-2364(92)90005-R
  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 Nucl. Magn., 1: 217 (1992). https://doi.org/10.1016/S0926-2040(10)80007-4
  3. Jager, C., Rocha, J., and Klinowski, J., “High-speed satellite transition 27Al MAS NMR spectroscopy”. Chem. Phys. Lett., 188: 208 (1992). https://doi.org/10.1016/0009-2614(92)90010-K
  4. Anderson, M.W., Agger, J.R., Luigi, D.P., Baggaley, A.K., and Rocha, J., “Cation sites in ETS-10: 23Na 3Q MAS NMR and lattice energy minimisation calculations”. Phys. Chem. Chem. Phys., 1: 2287 (1999). https://doi.org/10.1039/A900863B
  5. Morais, C.M., Lopes, M., Fernandez, C., and Rocha, J., “Assessing the potential of fast amplitude modulation pulses for improving triple-quantum magic angle spinning NMR spectra of half-integer quadrupolar nuclei”. Magn. Reson. Chem., 41: 679 (2003). https://doi.org/10.1002/mrc.1238
  6. Fernandez, C., Morais, C., Rocha, J., and Pruski, M., “High-resolution heteronuclear correlation spectra between 31P and 27Al in microporous aluminophosphates”. Solid State Nucl. Magn., 21: 61 (2002). https://doi.org/10.1006/snmr.2001.0049
  7. Amoureux, J.P., Morais, C., Trebosc, J., Rocha, J., and Fernandez, C., “I-STMAS, a new high-resolution solid-state NMR method for half-integer quadrupolar nuclei”. Solid State Nucl. Magn., 23: 213 (2003). https://doi.org/10.1016/S0926-2040(03)00011-0
  8. Malicki, N., Mafra, L., Quoineaud, A.A., Rocha, J., Thibault-Starzyk, F., and Fernandez, C., “Multiplex MQMAS NMR of quadrupolar nuclei”. Solid State Nucl. Magn., 28: 13 (2005). https://doi.org/10.1016/j.ssnmr.2005.02.007
  9. 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 (2009). https://doi.org/10.1002/mrc.2492
  10. Mafra, L., Rocha, J., Fernandez, C., and Paz, F.A.A., “Characterization of microporous aluminophosphate IST-1 using 1H Lee-Goldburg techniques”. J. Magn. Reson., 180: 236 (2006). https://doi.org/10.1016/j.jmr.2006.02.017
  11. Cunha-Silva, L., Mafra, L., Ananias, D., Carlos, L.D., Rocha, J,. and 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 (2007). https://doi.org/10.1021/cm070596q
  12. Mafra, L., Gomes, J.R.B., Trebosc, J., Rocha, J. and Amoureux, J.P., “1H-1H double-quantum CRAMPS NMR at very-fast MAS nR = 35 kHz): A resolution enhancement method to probe 1H-1H proximities in solids”. J. Magn. Reson., 196: 88 (2009). https://doi.org/10.1016/j.jmr.2008.10.009
  13. Siegel, R., Rocha, J., and Mafra, L., “Combining STMAS and CRAMPS NMR spectroscopy: High-resolution HETCOR NMR spectra of quadrupolar and 1H nuclei in solids”. Chem. Phys. Lett., 470: 337 (2009). https://doi.org/10.1016/j.cplett.2009.01.053
  14. 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. Magn. Reson., 194: 264 (2008). https://doi.org/10.1016/j.jmr.2008.07.019
  15. Mafra, L., Coelho, C., Siegel, R., and Rocha, J., “Assessing the performance of windowed 1H CRAMPS methods, on biological solids, at high-field and MAS up to 35 kHz”. J. Magn. Reson., 197: 20 (2009). https://doi.org/10.1016/j.jmr.2008.11.010
  16. Siegel, R., Mafra, L., and Rocha, J., “Improving the 1H indirect dimension resolution of 2D CRAMPS NMR spectra: A simulation and experimental investigation”. Solid State Nucl. Magn., 39: 81 (2011). https://doi.org/10.1016/j.ssnmr.2011.04.003
  17. Mafra, L., Siegel, R., Fernandez, C., Schneider, D., Aussenac, F. and Rocha, J., “High-resolution 1H homonuclear dipolar recoupling NMR spectra of biological solids at MAS rates up to 67 kHz”. J. Magn. Reson., 199: 111 (2009). https://doi.org/10.1016/j.jmr.2009.04.004
  18. Mafra, L., Santos, S.M., Siegel, R., Alves, I,. Paz, F., Dudenko, D. and Spiess, H.W., “Packing interactions in hydrated and anhydrous forms of the antibiotic Ciprofloxacin: a solid-state NMR, X-ray diffraction and computer simulation study”. J. Am. Chem. Soc., 134: 71 (2012). https://doi.org/10.1021/ja208647n
  19. Pinto, M.L., Mafra, L., Guil, J.M., Pires, J. and Rocha, J., “Adsorption and Activation of CO2 by Amine-Modified Nanoporous Materials Studied by Solid-State NMR and 13CO2 Adsorption”. Chem. Mater., 23: 1387 (2011). https://doi.org/10.1021/cm1029563
  20. Mafra, L., Rocha, J., Fernandez, C., Castro, G.R., Garcia-Granda, S., Espina, A., Khainakov, S.A. and Garcia, J.R., “Characterization of layered gamma-titanium phosphate (C2H5NH3)[Ti(H1.5PO4)(PO4)]2.H2O intercalate: A combined NMR, synchrotron XRD, and DFT calculations study”. Chem. Mater., 20: 3944 (2008). https://doi.org/10.1021/cm800165p
  21. Garcia-Granda, S., Khainakov, S.A., Espina, A., Garcia, J.R., Castro, G.R., Rocha, J. and Mafra, L., “Revisiting the Thermal Decomposition of Layered gamma-Titanium Phosphate and Structural Elucidation of Its Intermediate Phases”. Inorg. Chem., 49: 2630 (2010). https://doi.org/10.1021/ic901254j
  22. Klinowski, J. and Mafra, L., “Crystalline molecular sieves”, in Encyclopedia of Nuclear Magnetic Resonance, R.K. Harris and R. Wasylishen, Editors. 2013, 2:1, Wiley. https://doi.org/10.1002/9780470034590.emrstm1325
  23. Mafra, L., Santos, S. M., Siegel, R., Alves, I., Almeida Paz, F. a., Dudenko, D., & Spiess, H. W. “Packing Interactions in Hydrated and Anhydrous Forms of the Antibiotic Ciprofloxacin: a Solid-State NMR, X-ray Diffraction, and Computer Simulation Study”. Am. Chem. Soc., 134: 71 (2012). https://doi.org/10.1021/ja208647n
  24. Santos, S. M., Rocha, J., & Mafra, L. “NMR Crystallography: Toward Chemical Shift-Driven Crystal Structure Determination of the β-Lactam Antibiotic Amoxicillin Trihydrate”. Growth Des., 13: 2390 (2013). http://pubs.acs.org/doi/abs/10.1021/cg4002785
  25. Fernandes, J., Sardo, M., Mafra, L., Choquesillo-Lazarte, D., Masciocchi, N., “X-Ray and NMR Crystallography Studies of Novel Theophylline Cocrystals Prepared by Liquid Assisted Grinding”. Growth Des., 15: 3674 (2015). https://doi.org/10.1021/acs.cgd.5b00279
  26. Martins, I. C. B., Sardo, M., Santos, S. M., Fernandes, A., Antunes, A., André, V., Mafra, L., Duarte, M. T. “Packing interactions and physicochemical properties of novel multicomponent crystal forms of the anti-inflammatory azelaic acid studied by X-ray and solid-state NMR”. Growth Des., 16: 154 (2016). https://doi.org/10.1021/acs.cgd.5b01057
  27. Martins, I. C. B., Sardo, M., Alig, E., Fink, L., Schmidt, M., Mafra, L., Duarte, M. T., “Enhancing adamantylamine solubility through salt formation: novel products studied by X-ray diffraction and Solid-state NMR”. Growth Des., 19: 1860 (2019). https://doi.org/10.1021/acs.cgd.8b01830
  28. Martins, I. C. B., Sardo, M., Čendak, T., Gomes, J. R. B., Rocha, J., Duarte, M. T. and Mafra, L., “Hydrogen bonding networks in gabapentin protic pharmaceutical salts: NMR and in silico studies”. Reson. Chem., 57: 243 (2019). https://doi.org/10.1002/mrc.4809
  29. Bornes, C., Fischer, M., Amelse, J. A., Geraldes, C. F. G. C., Rocha, J., & Mafra, L. “What Is Being Measured with P-Bearing NMR Probe Molecules Adsorbed on Zeolites?”. Am. Chem. Soc., 143: 13616 (2021). https://doi.org/10.1021/jacs.1c05014
  30. Bornes, C., Amelse, J. A., Peacock, M., Marshall, C. L., Schwartz, M. M., Geraldes, C. F. G. C., Rocha, J., & Mafra, L. “Quantification of Brønsted Acid Sites in Zeolites by Water Desorption Thermogravimetry”. J. Inorg. Chem., 19: 1860 (2020). https://doi.org/10.1002/ejic.202000050
  31. 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”. Comm., 55: 12635 (2019). https://doi.org/10.1039/C9CC06763A
  32. Hough, A., Routh, A. F., Clarke, S. M., Wiper, P. V., Amelse, J. A., & Mafra, L. “Boron removal and reinsertion studies in 10B-11B exchanged HAMS-1B (H-[B]-ZSM-5) borosilicate molecular sieves using solid-state NMR”. Catal. 334 (2016). https://doi.org/10.1016/j.jcat.2015.11.006
  33. Wiper, P. V., Amelse, J. and Mafra, L. “Multinuclear solid-state NMR characterization of the Brønsted/Lewis acid properties in the BP HAMS-1B (H-[B]-ZSM-5) borosilicate molecular sieve using adsorbed TMPO and TBPO probe molecules”. Catal., 316: 240 (2014). https://doi.org/10.1016/j.jcat.2014.05.017
  34. Sardo, M., Afonso, R., Juźków, J., Pacheco, M., Bordonhos, M., Pinto, M., Gomes J. R. B., and Mafra, L., “Unravelling moisture-induced CO2 chemisorption mechanisms in amine-modified silica sorbents at the molecular scale”. J. Mater. Chem. A, 9: 5542 (2021). https://doi.org/10.1039/D0TA09808F
  35. Afonso, R. Sardo, M., Mafra, L., Gomes, J. R.B., “Unravelling the structure of chemisorbed CO2 species in mesoporous aminosilicas: a critical survey”. Sci. Technol., 53: 2758 (2019). https://doi.org/10.1021/acs.est.8b05978
  36. Mafra, L., Čendak, T., Schneider, S., Wiper, P. V., Pires, J., Gomes, J. R. B., & Pinto, M. L. “Amine functionalized porous silica for CO2/CH4 separation by adsorption: Which amine and why”. Eng. J., 336: 612 (2018). https://doi.org/10.1016/j.cej.2017.12.061
  37. Čendak, T., Sequeira, L., Sardo, M., Valente, A., Pinto, M. L. and Mafra, L., “Detecting proton-transfer in CO2 species chemisorbed on amine-modified mesoporous silicas using 13C NMR chemical shift anisotropy and smart control of amine surface density”. – Eur. J., 24: 10136 (2018). https://doi.org/10.1002/chem.201800930
  38. Lourenço, M., Siquet, C., Sardo, M., Mafra, L., Pires, J., Jorge, M., Pinto, M., Ferreira, P. Gomes, J., “Interaction of CO2 and CH4 With Functionalized Periodic Mesoporous Phenylene–Silica: Periodic DFT Calculations and Gas Adsorption Measurements”. Phys. Chem. C, 120: 3863 (2016). https://doi.org/10.1021/acs.jpcc.5b11844
  39. Mafra, L., Čendak, T., Schneider, S., Wiper, P. V., Pires, J., Gomes, J. R. B., & Pinto, M. L. “Structure of Chemisorbed CO2 Species in Amine-Functionalized Mesoporous Silicas Studied by Solid-State NMR and Computer Modeling”. Am. Chem. Soc., 139: 389 (2017). https://doi.org/10.1021/jacs.6b11081
  40. Vieira, R., Marin-Montesinos, I., Pereira, J., Fonseca, R., Ilkaeva, M., Sardo, M., Mafra, L., “Hidden CO2 in Amine-modified Porous Silicas Enables Full Quantitative NMR Identification of Physi- and Chemisorbed CO2 Species”. Phys. Chem. C, 125 (27): 14797 (2021). https://doi.org/10.1021/acs.jpcc.1c02871
  41. Z. Tier, K. M. Wust, J.C. B. Vieira, M. Sardo, T.Čendak, L. Mafra, J. Rocha, I. M. Gindri, M. Hörner and C. P. Frizzo, “Nature of the Multicomponent Crystal of Salicylic Acid and 1,2- phenylenediamine”. CrystEngComm, 22: 708 (2020). https://doi.org/10.1039/C9CE01650C
  42. Sardo, M., Santos, S.M., Babaryk, A.A., López, C., Alkorta, I., Elguero, J., Claramunt, R. M. and Mafra, L., “Diazole-based powdered cocrystal featuring a helical hydrogen-bonded network: Structure determination from PXRD, solid-state NMR and computer modeling”. Solid-state Nucl. Magn. Reson., 65: 49 (2015). https://doi.org/10.1016/j.ssnmr.2014.12.005
  43. Agarwal, V., Sardo, M., Scholz, I., Böckmann, A., Ernst, M. and Meier, B.H., “PAIN with and without PAR: Variants for third-spin assisted heteronuclear polarization transfer”. Biomol. NMR, 56: 365 (2013). https://doi.org/10.1007/s10858-013-9756-4
  44. 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”. Phys. Chem. A, 116: 6711 (2012). https://doi.org/10.1021/jp302128r
  45. 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. and Neves, I.C., “Comparison of different silica microporous structures as drug delivery systems for in vitro models of solid tumors”. RSC Adv., 7: 13104 (2017). https://doi.org/10.1039/C7RA01028A
  46. Vilaça, N., Morais-Santos, F., Machado, A. F., Sirkecioğlu, A., Pereira, M. F. R., Sardo, M. Rocha, J., Parpot, P., Fonseca, A. M., Baltazar, F. and Neves, I. C., “Micro and Mesoporous Structures as Drug Delivery Carriers for Salicylic Acid”. Chem. Phys. C, 119: 3589 (2015). https://doi.org/10.1021/jp5117849
  47. Vilaça, N., Amorim, R., Machado, A. F., Parpot, P., Pereira, M. F. R., Sardo, M., Rocha, J., Fonseca, A. M., Neves, I. C. and Baltazar, F., “Potentiation of 5-fluorouracil encapsulated in zeolites as drug delivery systems for in vitro models of colorectal carcinoma”. Colloids and Surfaces B: Biointerfaces, 112: 237 (2013). https://doi.org/10.1016/j.colsurfb.2013.07.042
  48. Amorim, R., Vilaça, N., Martinho, O., Reis, R., Sardo, M., Rocha, J., Fonseca, A., Baltazar, F. and Neves, I., “Zeolite structures loading with an anti-cancer compound as drug delivery systems”. Phys. Chem. C, 116: 25642 (2012). https://doi.org/10.1021/jp3093868
  49. “Comparative study of atmospheric water-soluble organic aerosols composition in contrasting suburban environments in the Iberian Peninsula Coast”, Regina M.B.O. Duarte, Maria Piñeiro-Iglesias, Purificación López-Mahía, Soledad Muniategui-Lorenzo, Jorge Moreda-Piñeiro, Artur M.S. Silva, Armando C. Duarte, Total Environ., 2019, 648, 430–441. 10.1016/j.scitotenv.2018.08.171
  50. “Erubescensoic Acid, a New Polyketide and a Xanthonopyrone SPF-3059-26 from the Culture of the Marine Sponge-Associated Fungus Penicillium erubescens KUFA 0220 and Antibacterial Activity Evaluation of Some of Its Constituents”, Decha Kumla, Tida Dethoup, Luís Gales, José A. Pereira, Joana Freitas-Silva, Paulo M. Costa, Artur M. S. Silva, Madalena M. M. Pinto, Anake Kijjoa, Molecules, 2019, 24, 208. https://doi.org/10.3390/molecules24010208
  51. “Comparative study of atmospheric water-soluble organic aerosols composition in contrasting suburban environments in the Iberian Peninsula Coast”, Regina M. B. O. Duarte, Maria Piñeiro-Iglesias, Purificación López-Mahía, Soledad Muniategui-Lorenzo, Jorge Moreda-Piñeiro, Artur M. S. Silva, Armando C. Duarte, Total Environ., 2019, 648, 430–441. 10.1016/j.scitotenv.2018.08.171
  52. “Synthesis of New Proteomimetic Quinazolinone Alkaloids and Evaluation of Their Neuroprotective and Antitumor Effects”, Solida Long, Diana I. S. P. Resende, Anake Kijjoa, Artur M. S. Silva, Ricardo Fernandes, Cristina P. R. Xavier, M. Helena Vasconcelos, Emília Sousa, Madalena M. M. Pinto, Molecules, 2019, 24, 534. https://doi.org/10.3390/molecules24030534
  53. “An Example of Polynomial Expansion: The Reaction of 3(5)-Methyl-1H-Pyrazole with Chloroform and Characterization of the Four Isomers”, Vera L. M. Silva, Artur M. S. Silva, Rosa M. Claramunt, Dionisia Sanz, Lourdes Infantes, Ángela Martínez-López, Felipe Reviriego, Ibon Alkorta, José Elguero, Molecules, 2019, 24, 568. https://doi.org/10.3390/molecules24030568
  54. “IRMOF-3 Biological Activity Enhancement by Post-Synthetic Modification”, Reda M. Abdelhameed, Osama M. Darwesh, Joao Rocha, Artur M. S. Silva, J. Inorg. Chem., 2019, 1243–1249.
  55. “Synthesis of Benzophenones and in vitro Evaluation of Their Anticancer Potential in Breast and Prostate Cancer Cells”, Lydia Saidi, Djenisa H. A. Rocha, Oualid Talhi, Yamina Bentarzi, Bellara Nedjar-Kolli, Khaldoun Bachari, Filipe A. Almeida Paz, Luisa A. Helguero, Artur M. S. Silva, ChemMedChem, 2019, 14, 1041-1048.
  56. “A New Meroterpene, A New Benzofuran Derivative and Other Constituents from Cultures of the Marine Sponge-Associated Fungus Acremonium persicinum KUFA 1007 and Their Anticholinesterase Activities”, Ana J. S. Alves, José A. Pereira, Tida Dethoup, Sara Cravo, Sharad Mistry, Artur M. S. Silva, Madalena M. M. Pinto, Anake Kijjoa, Drugs, 2019, 17, 379. https://doi.org/10.3390/md17060379
  57. “Assignment of 1H and 13C NMR data for three pairs of diastereomers of 4′‐X-benzo[1,3]cyclopropa[1,2‐b]chromene-4,5‐diones (X = H, OCH3, and Cl)”, Joana L.C. Sousa, Artur M. S. Silva, Ibon Alkorta, José Elguero, Magn Reson Chem., 2019, 57, 512–521.
  58. “Luminescent Nanothermometers Obtained by Post-Synthetic Modification of Metal-Organic Framework MIL-68”, Reda M. Abdelhameed, Duarte Ananias, Artur M. S. Silva, Joao Rocha, J. Inorg. Chem., 2019, 1354-1359.
  59. “Temperature-Controlled Stereodivergent Synthesis of 2,2’-Biflavanones Promoted by Samarium Diiodide”, Martín Soto, Raquel G. Soengas, Artur M. S. Silva, Vicente Gotor-Fernández, Humberto Rodríguez-Solla, Eur. J., 2019, 25, 13104-13108.
  60. “A structural study of new tetrakis(1H-pyrazol-1-yl)methanes”, Vera L.M. Silva, Artur M.S. Silva, Rosa M. Claramunt, Concepción López, Dionisia Sanz, Lourdes Infantes, Angela Martínez López, Felipe Reviriego, Ibon Alkorta, José Elguero, Tetrahedron, 2019, 75, 130690.
  61. “A step-by-step synthesis of triazole-benzimidazole-chalcone hybrids: Anticancer activity in human cells”, Amar Djemoui, Abdelkader Naouri, Mohammed Ridha Ouahrani, Djamila Djemoui, Souli Lahcene, Mokhtar Boualem Lahrech, Leila Boukenna, Hélio M. T. Albuquerque, Liza Saher, Djenisa H.A. Rocha, Fátima Liliana Monteiro, Luísa A. Helguero, Khaldoun Bachari, Oualid Talhi, Artur M.S. Silva, Mol. Struct., 2020, 1204, 127487.
  62. “New chiral stationary phases for liquid chromatography based on small molecules: Development, enantioresolution evaluation and chiral recognition mechanisms”, Ye’ Zaw Phyo, Joana Teixeira, Maria Elizabeth Tiritan, Sara Cravo, Andreia Palmeira, Luís Gales, Artur M. S. Silva, Madalena M.M. Pinto, Anake Kijjoa, Carla Fernandes, Chirality, 2020, 32, 81–97.
  63. “Estimation of gasoline properties by 1H NMR spectroscopy with repeated double cross-validated partial least squares models”, Ana L. Leal, Ricardo M. Albuquerque, Artur M.S. Silva, Jorge C. Ribeiro, Fernando G. Martins, Chemometrics, 2020; e3212.
  64. “Synthesis and luminescence properties of analogues of the green fluorescent protein chromophore”, Cátia I. C. Esteves, Inês Silva Fonseca, João Rocha, Artur M. S. Silva, Samuel Guieu, Dyes & Pigments, 2020, 177, 108267.
  65. “Synthesis of 2-aroylfuro[3,2-c]quinolines from quinolone-based chalcones and evaluation of their antioxidant and anticholinesterase activities”, João P. S. Ferreira, Susana M. Cardoso, Filipe A. Almeida Paz, Artur M. S. Silva, Vera L. M. Silva, New J. Chem., 2020, 44, 6501—6509.
  66. “Ionic Liquids and Ohmic Heating in Combination for Pd-Catalyzed Cross-Coupling Reactions: Sustainable Synthesis of Flavonoids”, Vera L. M. Silva, Raquel G. Soengas, Artur M. S. Silva, Molecules, 2020, 25, 1564. https://doi.org/10.3390/molecules25071564
  67. “A 1000-year-old mystery solved: Unlocking the molecular structure for the medieval blue from Chrozophora tinctoria, also known as folium”, Nabais, J. Oliveira, F. Pina, N. Teixeira, V. de Freitas, N. F. Brás, A. Clemente, M. Rangel, A. M. S. Silva, M. J. Melo, Sci. Adv., 2020, 6, eaaz7772.
  68. “1,2,4-Triphenylpyrroles: Synthesis, Structure and Luminescence Properties”, Joana R. M. Ferreira, Raquel Nunes da Silva, João Rocha, Artur M. S. Silva , Samuel Guieu, Synlett, 2020, 31, 632-634.
  69. “Structural Features and Pro-Inflammatory Effects of Water-Soluble Organic Matter in Inhalable Fine Urban Air Particles”, Antoine S. Almeida, Rita M. P. Ferreira, Artur M. S. Silva, Armando C. Duarte, Bruno M. Neves, Regina M. B. O. Duarte, Sci. Technol., 2020, 54, 1082−1091.
  70. “Chromene- and Quinoline-3-Carbaldehydes: Useful Intermediates in the Synthesis of Heterocyclic Scafolds”, Djenisa H. A. Rocha, Vasco F. Batista, Emanuel J. F. Balsa, Diana C. G. A. Pinto, Artur M. S. Silva, Molecules, 2020, 25, 3791. https://doi.org/10.3390/molecules25173791
  71. “Multicomponent and 1,3-dipolar cycloaddition synthesis of triazole and isoxazole-acridinedione/xanthenedione heterocyclic hybrids: Cytotoxic effects on human cancer cells”, Abdelkader Naouri, Amar Djemoui, Mouhamad Ridha Ouahrani, Mokhtar Boualem Lahrech, Najet Lemouari, Djenisa H. A. Rocha, Hélio Albuquerque, Ricardo F. Mendes, Filipe A. Almeida Paz, Luisa A. Helguero, Khaldoun Bachari, Oualid Talhi, Artur M. S. Silva, Mol. Struct., 2020, 1217, 128325.
  72. “Synthesis of New Chiral Derivatives of Xanthones with Enantioselective Effect on Tumor Cell Growth and DNA Crosslinking”, Maria L. Carraro, Sandra Marques, Ana Sofia Silva, Bruno Freitas, Patricia M. A. Silva, Joel Pedrosa, Paolo De Marco, Hassan Bousbaa, Carla Fernandes, Maria Elizabeth Tiritan, Artur M. S. Silva, Madalena M. M. Pinto, ChemistrySelect, 2020, 5, 10285-10291, doi: 10.1002/slct.202002588
  73. “New chalcone-type compounds and 2-pyrazoline derivatives: synthesis and caspase-dependent anticancer activity”, Mohamed I. Chouiter, Houssem Boulebd, David M. Pereira, Patrícia Valentão, Paula B. Andrade, Ali Belfaitah, Artur M. S. Silva, Future Med. , 2020, 12, 493-509. https://doi.org/10.4155/fmc-2019-0342
  74. “Unsymmetrical 2,4,6-Triarylpyridines as Versatile Scaffolds for Deep-Blue and Dual-Emission Fluorophores”, Luís F. B. Fontes, Raquel Nunes da Silva, Artur M. S. Silva, Samuel Guieu, ChemPhotoChem, 2020, 4, 5312–5317.
  75. “Structural Characterization of Dissolved Organic Matter in Permafrost Peatland Lakes”, Diogo Folhas, Armando C. Duarte, Martin Pilote, Warwick F. Vincent, Pedro Freitas, Gonçalo Vieira, Artur M. S. Silva, Regina M. B. O. Duarte, João Canário, Water, 2020, 12, 3059; doi: 10.3390/w12113059.
  76. “New marine-derived indolymethyl pyrazinoquinazoline alkaloids with promising antimicrobial profiles”, Solida Long, Diana I. S. P. Resende, Andreia Palmeira, Anake Kijjoa, Artur M. S. Silva, Maria Elizabeth Tiritan, Patrícia Pereira-Terra, Joana Freitas-Silva, Sandra Barreiro, Renata Silva, Fernando Remião, Eugénia Pinto, Paulo Martins da Costa, Emília Sousa, Madalena M. M. Pinto, RSC Adv., 2020, 10, 31187-31204.
  77. “Using Spectroscopy and Support Vector Regression to Predict Gasoline Characteristics: A Comparison of 1H NMR and NIR”, Ana L. Leal, Artur M. S. Silva, Jorge C. Ribeiro, and Fernando G. Martins, Energy Fuels, 2020, 34, 12173−12181.
  78. “Multicomponent Synthesis of Luminescent Iminoboronates”, Samuel Guieu, Cátia I. C. Esteves, João Rocha, Artur M. S. Silva, Molecules, 2020, 25, 6039; doi:10.3390/molecules25246039.
  79. “Functionalization of Betulinic Acid with Polyphenolic Fragments for the Development of New Amphiphilic Antioxidants”, Joana L. C. Sousa, Cristiana Gonçalves, Ricardo M. Ferreira, Susana M. Cardoso, Carmen S. R. Freire, Armando J. D. Silvestre, Artur M. S. Silva, Antioxidants, 2021, 10, 148. doi: 10.3390/antiox10020148
  80. “Difluoroborate complexes based on 2′-hydroxyphenones as solid-state fluorophores”, Patrícia A.A.M. Vaz, João Rocha, Artur M.S. Silva, Samuel Guieu, Dyes & Pigments, 2021, 184, 108720.
  81. “1,3-Dioxepine and spiropyran derivatives of viomellein and other dimeric naphthopyranones from cultures of Aspergillus elegans KUFA0015 and their antibacterial activity” Decha Kumla, Emilia Sousa, Alessia Marengo, Tida Dethoup, José A. Pereira, Luís Gales, Joana Freitas-Silva, Paulo M. Costa, Sharad Mistry, Artur M.S. Silva, Anake Kijjoa, Phytochemistry, 2021, 181, 112575.
  82. “Customizable and Regioselective One-Pot N-H Functionalization of DNA Nucleobases to Create a Library of Nucleobase Derivatives for Biomedical Applications”, Djenisa H. A. Rocha, Carmen M. Machado, Vera Sousa, Cristiana F. V. Sousa, Vera L. M. Silva, Artur M. S. Silva, João Borges, João F. Mano, J. Org. Chem. 2021, 4423–4433.
  83. “Benzimidazole-Based N,O Boron Complexes as Deep Blue Solid-State Fluorophores”, Patrícia A. A. M. Vaz, João Rocha, Artur M. S. Silva, Samuel Guieu, Materials, 2021, 14, 4298. https://doi.org/10.3390/ma14154298
  84. “Chromeno[3,4-b]xanthones as First-in-Class AChE and Aβ-Aggregation Dual-Inhibitors”, Daniela Malafaia, Ana Oliveira, Pedro A. Fernandes, Maria J. Ramos, Hélio M. T. Albuquerque, Artur M. S. Silva, J. Mol. Sci., 2021, 22, 4145. https://doi.org/10.3390/ijms22084145
  85. “Hemi-synthesis, in-vitro and in-silico bioactivities of new chiral-Schiff bases and benzodiazepine derivatives from Ammodaucus leucotrichus (S)-perillaldehyde”, Massaab Khalfaoui, Farid Chebrouk, Borhane E.C. Ziani, Norah Bennamane, Brahim Cherfaoui, Wahiba Frites, Mónica Valega, Ricardo F. Mendes, Filipe A. Almeida Paz, Redouan Chebout, Khaldoun Bachari, Oualid Talhi, Artur M.S. Silva, Mol. Struct., 2021, 1241, 130690.
  86. “Determination of the Absolute Configuration of Bioactive Indole-Containing Pyrazino[2,1-b]quinazoline-3,6-diones and Study of Their In Vitro Metabolic Profile”, Solida Long, Izadora L. Furlani, Juliana M. de Oliveira, Diana I. S. P. Resende, Artur M. S. Silva, Luís Gales, José A. Pereira, Anake Kijjoa, Quezia B. Cass, Regina V. Oliveira, Emília Sousa, Madalena M. M. Pinto, Molecules, 2021, 26, 5070. https://doi.org/10.3390/molecules26165070.
  87. “Anthraquinones, Diphenyl Ethers, and Their Derivatives from the Culture of the Marine Sponge-Associated Fungus Neosartorya spinosa KUFA 1047”, Joana D. M. de Sá, José A. Pereira, Tida Dethoup, Honorina Cidade, Maria Emília Sousa, Inês C. Rodrigues, Paulo M. Costa, Sharad Mistry, Artur M. S. Silva, Anake Kijjoa, Drugs, 2021, 19, 457. https://doi.org/10.3390/md19080457.
  88. “Prenylated phenylbutyrolactones from cultures of a marine sponge-associated fungus Aspergillus flavipes KUFA1152”, Fátima P. Machado, Decha Kumla, José A. Pereira, Emília Sousa, Tida Dethoup, Joana Freitas-Silva, Paulo M. Costa, Sharad Mistry, Artur M.S. Silva, Anake Kijjoa, Phytochemistry, 2021, 185, 112709.
  89. Pinto J, Diaz SO, Aguiar E, Duarte D, Barros AS, Galhano E, Pita C, Almeida MC, Carreira IM, Spraul M, Gil AM, “Metabolic profiling of maternal urine can aid clinical management of Gestational Diabetes Mellitus”, Metabolomics, 2016, 12, article no. 105. doi: 10.1007/s11306-016-1046-1
  90. Monteiro MS, Barros AS, Pinto J, Carvalho M, Pires-Luís AS, Jerónimo C, Henrique R, Bastos ML, Gil AM and Pinho PG (equal contribution of last 2 authors), “Nuclear Magnetic Resonance metabolomics reveals an excretory metabolic signature of renal cell carcinoma”, Scientific Reports – Nature Publishing Group, 6, Article number: 37275, 2016.
  91. Laíns I, Duarte, D., Barros, A.S., Martins, A.S., Gil, J., Miller, J.B., Marques, M., Mesquita, T., Kim, I.K., Cachulo, M.L., Vavvas, D., Carreira, I.M., Murta, J.N., Silva, R., Miller, J.W., Husain, D., Gil, A.M., “Human plasma metabolomics in age-related macular degeneration (AMD) using nuclear magnetic resonance spectroscopy”, PLOS ONE, 12(5): e0177749, https://doi.org/10.1371/journal.pone.0177749
  92. Laíns I, Duarte D, Barros AS, Martins AS, Carneiro TJ, Gil JQ, Miller JB, Marques M, Mesquita TS, Barreto P, Kim IK, Cachulo ML, Vavvas DG, Carreira IM, Murta JN, Silva R, Miller JW, Husain D, Gil AM, Urine Nuclear Magnetic Resonance (NMR) Metabolomics in Age-Related Macular Degeneration, Journal of Proteome Research, 18 (3), 1278–1288, 2019, doi: 10.1021/acs.jproteome.8b00877
  93. Pereira JL, Duarte D, Carneiro TJ, Ferreira S, Cunha B, Soares D, Costa AL, Gil AM, “Saliva NMR metabolomics: analytical issues in paediatric oral health”, Oral Diseases, 00:1-10, doi: 10.1111/odi.13117
  94. Bispo D, Fabris V, Lamb CA, Lanari C, Helguero LA, Gil AM, Hormone-independent mouse mammary adenocarcinomas with different metastatic potential exhibit different metabolic signatures, Biomolecules, 10, 1242, 2020. doi:10.3390/biom10091242
  95. Duarte D, Almeida MC, Domingues P, Gil AM, “Urine metabolomics and proteomics in prenatal health”, in Perinatal Medicine and the Omics, CRC Press, Taylor and Francis Group, Boca Raton, USA, Chapter 20, pp. 2020. ISBN: 978-1-138-70614-9
  96. Pinto J, Diaz SO, Aguiar E, Duarte D, Barros AS, Galhano E, Pita C, Almeida MC, Carreira IM, Spraul M, Gil AM, “Metabolic profiling of maternal urine can aid clinical management of Gestational Diabetes Mellitus”, Metabolomics, 2016, 12, article no. 105. doi: 10.1007/s11306-016-1046-1
  97. Lamego I, Marques MPM, Duarte IF, Martin AS, Oliveira H, Gil AM, “Impact of the Pd2Spermine chelate on osteosarcoma metabolism: an NMR metabolomics study”, Journal of Proteome Research, 16 (4), 1773-1783, 2017. http://dx.doi.org/10.1021/acs.jproteome.7b00035
  98. Carneiro TJ, Araújo R, Vojtek M, Gonçalves-Monteiro S, Batista de Carvalho ALM, Marques MPM, Diniz C, Gil AM, “Impact of the Pd2Spm(spermine) complex on the metabolism of Triple-Negative Breast Cancer tumors of a xenograft mouse model”, International Journal of Molecular Sciences, 22(19), article no 10775, 2021. https://doi.org/10.3390/ijms221910775
  99. Carneiro TJ, Araujo R, Vojtek M, Gonçalves-Monteiro S, Diniz C, Batista de Carvalho ALM, Marques MPM, Gil AM, Multi-organ NMR Metabolomics to assess in vivo overall metabolic impact of cisplatin in mice, Metabolites, 9(11), 279-296, 2019, https://doi.org/10.3390/metabo9110279
  100. Carneiro TJ, Araújo R, Vojtek M, Gonçalves-Monteiro S, Diniz C, Batista de Carvalho ALM, Marques MPM, Gil AM Novel Insights into Mice Multi-Organ Metabolism upon Exposure to a Potential Anticancer Pd(II)-Agent. Metabolites, 114, https://doi.org/10.3390/metabo11020114
  101. Carrola J, Bastos V, Daniel-da-Silva AL, Gil AM, Santos C, Oliveira H, Duarte IF, Macrophage metabolomics reveals differential metabolic responses to subtoxic levels of silver nanoparticles and ionic silver, European Journal of Inorganic Chemistry, 1867-1876, 2020, https://org/10.1002/ejic.202000095
  102. Bispo DSC, Jesus CSH, Marques IMC, Romek KM, Oliveira MB, Mano JF, Gil AM, Metabolomic applications n stem cell research: a review, Stem Cell Reviews and Reports, 1-22, 2021. 10.1007/s12015-021-10193-z
  103. Silva JCP, Mota M, Matins FO, Nogueira C, Gonçalves T, Carneiro T, Pinto J, Duarte D, Barros AS, Jones JG, Gil AM, Intestinal microbial and metabolic profiling of mice fed with high-glucose and high-fructose diets, Journal of Proteome Research, 17(8), 2880-2891, 2018. doi: 1021/acs.jproteome.8b00354
  104. Pereira SI, Figueiredo PI, Barros AS, Dias MC, Santos C, Duarte IF, Gil AM, “Changes in the metabolome of lettuce leaves due to exposure to mancozeb pesticide”, Food Chemistry, 154, 291-298, 2014. doi: 10.1016/j.foodchem.2014.01.019
  105. Musio B, Ragone R, Todisco S, Rizzuti A, Latronico M et al., A community-built calibration system: The case study of quantification of metabolites in grape juice by qNMR spectroscopy, Talanta, 21(4), 120855, 2020. org/10.1016/j.talanta.2020.120855
  106. Goodfellow, BJ, Dias, JS, Ferreira, GC, Henklein, P, Wray, V, and Macedo, AL, “The solution structure and heme binding of the presequence of murine 5-aminolevulinate synthase”. Febs Lett., 505: 325 (2001).
  107. Dias, JS, Macedo, AL, Ferreira, GC, Peterson, FC, Volkman, BF, and Goodfellow, BJ, “The first structure from the SOUL/HBP family of heme-binding proteins, murine P22HBP”. J. Biol. Chem., 281: 31553 (2006).
  108. Goodfellow, BJ, Freire F, Carvalho AL, Aveiro, SS, Charbonnier P, Moulis, J-M, Delgado L, Ferreira GC, Rodrigues JE, Poussin-Courmontagne P, Birck C, McEwen A, and Macedo AL, “The SOUL family of heme-binding proteins: Structure and function 15 years later”. Coordination Chemistry Reviews, 448, 214189 (2021).
  109. Goodfellow, BJ, Nunes, SG, Rusnak, F, Moura, I, Ascenso, C, Moura, JJG, Volkman, BF, and Markley, JL, “Zinc-substituted Desulfovibrio gigas desulforedoxins: Resolving subunit degeneracy with nonsymmetric pseudocontact shifts”. Protein Sci., 11: 2464 (2002).
  110. Goodfellow, BJ, Duarte, ICN, Macedo, AL, Volkman, BF, Nunes, SG, Moura, I, Markley, JL, and Moura, JJG, “An NMR structural study of nickel-substituted rubredoxin”. J. Biol. Inorg. Chem., 15: 409 (2010).
  111. Graca, G, Duarte, IF, Barros, AS, Goodfellow, BJ, Diaz, SO, Pinto, J, Carreira, IM, Galhano, E, Pita, C, and Gil, AM, “Impact of Prenatal Disorders on the Metabolic Profile of Second Trimester Amniotic Fluid: A Nuclear Magnetic Resonance Metabonomic Study”. J. Proteome Res., 9: 6016 (2010).
  112. Rocha, CM, Barros, AS, Gil, AM, Goodfellow, BJ, Humpfer, E, Spraul, M, Carreira, IM, Melo, JB, Bernardo, J, Gomes, A, Sousa, V, Carvalho, L, and Duarte, IF, “Metabolic Profiling of Human Lung Cancer Tissue by 1H High Resolution Magic Angle Spinning (HRMAS) NMR Spectroscopy”. J. Proteome Res., 9: 319 (2010).
  113. Carrola, J, Rocha, CM, Barros, AS, Gil, AM, Goodfellow, BJ, Carreira, IM, Bernardo, J, Gomes, A, Sousa, V, Carvalho, L, and Duarte, IF, “Metabolic Signatures of Lung Cancer in Biofluids: NMR-Based Metabonomics of Urine”. J. Proteome Res., 10: 221 (2011).
  114. Diaz, SO, Pinto, J, Graca, G, Duarte, IF, Barros, AS, Galhano, E, Pita, C, Almeida, MD, Goodfellow, BJ, Carreira, IM, and Gil, AM, “Metabolic Biomarkers of Prenatal Disorders: An Exploratory NMR Metabonomics Study of Second Trimester Maternal Urine and Blood Plasma”. J. Proteome Res., 10: 3732 (2011).
  115. Mendes, L.F., Gaspar, V.M., Conde, T.A., Mano, J.F., Duarte, I.F. Flavonoid-mediated immunomodulation of human macrophages involves key metabolites and metabolic pathways. Scientific Reports, 2019, 9(1), 14906.
  116. Conde, T.A., Mendes, L., Gaspar, V.M., Domingues, M.R., Duarte, I.F. Differential modulation of the phospholipidome of proinflammatory human macrophages by the flavonoids quercetin, naringin and naringenin. Molecules, 2020, 25(15), 3460.
  117. Calmeiro, J., Mendes, L., Duarte, I.F., Carrascal, M.A., Neves, B.M. In-Depth Analysis of the Impact of Different Serum-Free Media on the Production of Clinical Grade Dendritic Cells for Cancer Immunotherapy. Frontiers in Immunology, 2021, 11, 593363.
  118. Guerra, A.R., Duarte, M.F., Duarte, I.F. Targeting Tumor Metabolism with Plant-Derived Natural Products: Emerging Trends in Cancer Therapy. Journal of Agricultural and Food Chemistry, 2018, 66(41), pp. 10663–10685.
  119. Guerra, Â.R., Soares, B.I.G., Freire, C.S.R., Duarte, M.F., Duarte, I.F. Metabolic Effects of a Eucalyptus Bark Lipophilic Extract on Triple Negative Breast Cancer and Nontumor Breast Epithelial Cells. Journal of Proteome Research, 2021, 20(1), pp. 565–575.
  120. Dias, A.S., Almeida, C.R., Helguero, L.A., Duarte, I.F. Metabolic crosstalk in the breast cancer microenvironment. European Journal of Cancer, 2019, 121, pp. 154–171.
  121. Dias, A.S., Helguero, L., Almeida, C.R., Duarte, I.F. Natural compounds as metabolic modulators of the tumor microenvironment. Molecules, 2021, 26(12), 3494.
  122. Pinto, R.J.B., Lameirinhas, N.S., Guedes, G., Vilela, C., Freire, C.S.R. Cellulose nanocrystals/chitosan-based nanosystems: Synthesis, characterization, and cellular uptake on breast cancer cells. Nanomaterials, 2021, 11(8), 2057.
  123. Carrola, J., Bastos, V., Daniel-da-Silva, A.L., Oliveira, H., Duarte, I.F. Macrophage Metabolomics Reveals Differential Metabolic Responses to Subtoxic Levels of Silver Nanoparticles and Ionic Silver. European Journal of Inorganic Chemistry, 2020, 2020(19), pp. 1867–1876.
  124. Cicuéndez, M., Fernandes, M., Ayán-Varela, M., Portolés, M.T., Duarte, I.F. Macrophage inflammatory and metabolic responses to graphene-based nanomaterials differing in size and functionalization. Colloids and Surfaces B: Biointerfaces, 2020, 186, 110709.
  125. Totten, J.D., Wongpinyochit, T., Carrola, J., Duarte, I.F., Seib, F.P. PEGylation-Dependent Metabolic Rewiring of Macrophages with Silk Fibroin Nanoparticles. ACS Applied Materials and Interfaces, 2019, 11(16), pp. 14515–14525.
  126. Monteiro, M.V., Gaspar, V.M., Mendes, L., Duarte, I.F., Mano, J.F. Stratified 3D Microtumors as Organotypic Testing Platforms for Screening Pancreatic Cancer Therapies. Small Methods, 2021, 5(5), 2001207.
  127. Ferreira, L.P., Gaspar, V.M., Mendes, L., Duarte, I.F., Mano, J.F. Organotypic 3D decellularized matrix tumor spheroids for high-throughput drug screening. Biomaterials, 2021, 275, 120983.
  128. Rosário, F., Duarte, I.F., Pinto, R.J.B., Hoet, P.H.M., Oliveira, H. Biodistribution and pulmonary metabolic effects of silver nanoparticles in mice following acute intratracheal instillations. Environmental Science and Pollution Research, 2021, 28(2), pp. 2301–2314.
  129. Carrola, J., Pinto, R.J.B., Nasirpour, M., Oliveira, H., Duarte, I.F. NMR Metabolomics Reveals Metabolism-Mediated Protective Effects in Liver (HepG2) Cells Exposed to Subtoxic Levels of Silver Nanoparticles. Journal of Proteome Research, 2018, 17(4), pp. 1636–1646.
  130. Jarak, I., Carrola, J., Barros, A.S., Corvo, M.L., Duarte, I.F. Metabolism modulation in different organs by silver nanoparticles: An NMR metabolomics study of a mouse model. Toxicological Sciences, 2017, 159(2), pp. 422–435.