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2. The development of new oral vaccines using porous silica

Author

Oliveira, Claudia P, Lopes, J L S, Sant'Anna, A., Botosso, Viviane Fongaro, Nunes Bordallo, Heloisa, de Abreu Fantini, Marcia Carvalho, Oliveira, Claudia P, Lopes, J L S, Sant'Anna, A., Botosso, Viviane Fongaro, Nunes Bordallo, Heloisa, and de Abreu Fantini, Marcia Carvalho

Published
2022

3. Polyamorphic systems: An investigation into possiblity of polyamorphic mesostructures previously uncategorised with 2 polymorphs as reference systems

Author

Nunes Bordallo, Heloisa, Figus, Aaron Leigh Boyd, Nunes Bordallo, Heloisa, and Figus, Aaron Leigh Boyd

Abstract

In this Study we took two different drugs, one we knew to have polymorphs, and one we hypothesized may have polyamorphs. Based on professional criteria and our own findings with the known polymorphic drug, we experimented to determine the possible polyamorphism of our other drug. We found the results to be inconclusive based on the PDF and Activation energy results. It is determined that further testing or possibly a new drug would be necessary to determine the possibility of polyamorphism.

Published
2022

4. Segmentation of micro-CT Scans of Biomaterials and steps towards their Join Reconstruction and Segmentation

Author

Lauze, Francois Bernard, Nunes Bordallo, Heloisa, Stathaki, Chrysoula, Lauze, Francois Bernard, Nunes Bordallo, Heloisa, and Stathaki, Chrysoula

Abstract

The delivery of vaccines through oral administration is becoming popular, due to the low cost, the convenient distribution as well as the unnecessary contact between the health provider and the patient. Toxoids are used as vaccines, but here, we note that after vaccination, an immunological response is formed against the molecular markers of the toxoid without resulting in toxin-induced illness. Such preparation is also known as an anatoxin. In this study, we worked with Diphtheria anatoxin (DT) and Tetanus anatoxin (TT). Due to the harsh environment of the gastrointestinal tract, the immunological response is difficult to be achieved from the anatoxins. A promising adjuvant, i.e toxoid carrier, for the oral delivery of vaccines is the Santa Barbara Amorphous-15 (SBA-15). The key feature of SBA-15 effectiveness is the determination of the anatoxin agglomeration in the carrier, which constitutes the central interest of this work. X-ray micro-CT data were acquired to determine the way that different morphologies of SBA-15 affect the incorporation. The analysis of the data was performed using Analytical Reconstruction Techniques (ANRT) and Iterative Segmentation Techniques (IST). The thesis is separated into two parts. The first half is centered on a series of implementations for computing solutions to discretized inverse problems. The area of application is the territory of Computed Tomography (CT). Iterative Reconstruction Techniques (IRT) were studied, derived from the Kaczmarz iterative solver. IRT are responsible for the restoration and reconstruction of the obtained signals, and often provide better results compared to ANRT. Segmentation techniques, which are the cornerstone of the analysis of the samples, will be discussed subsequently. The chosen IST were built from spatial regularisation and K-means clustering. The second part focuses on IST that were employed to extract information about the agglomeration of the anatoxins inside the hierarchical structure

Published
2022

5. Physicochemical characterisation of fluorohectorite: Water dynamics and nanocarrier properties

Author

Larsen, Simon R., Michels, L., Carvalho dos Santos, Éverton, Berg, Marcella Cabrera, Gates, Will P., Aldridge, Laurence (Laurie) P., Seydel, Tilo, Ollivier, J., Telling, Mark T. F., Fossum, Jon Otto, Nunes Bordallo, Heloisa, Larsen, Simon R., Michels, L., Carvalho dos Santos, Éverton, Berg, Marcella Cabrera, Gates, Will P., Aldridge, Laurence (Laurie) P., Seydel, Tilo, Ollivier, J., Telling, Mark T. F., Fossum, Jon Otto, and Nunes Bordallo, Heloisa

Published
2020

6. Dynamical Accuracy of Water Models on Supercooling

Author

Farmer, Thomas O., Markvardsen, Anders J., Rod, Thomas Holm, Nunes Bordallo, Heloisa, Swenson, Jan, Farmer, Thomas O., Markvardsen, Anders J., Rod, Thomas Holm, Nunes Bordallo, Heloisa, and Swenson, Jan

Published
2020

8. Insight into Nanoscale Network of Spray-dried Polymeric Particles:Role of Polymer Molecular Conformation

Author

Wan, Feng, Larsen, Flemming Hofmann, Nunes Bordallo, Heloisa, Foged, Camilla, Rantanen, Jukka, Yang, Mingshi, Wan, Feng, Larsen, Flemming Hofmann, Nunes Bordallo, Heloisa, Foged, Camilla, Rantanen, Jukka, and Yang, Mingshi

Abstract

Poly (DL-lactic-co-glycolic acid) (PLGA) microparticles represent a promising formulation approach for providing steady pharmacokinetic/pharmacodynamic profiles of therapeutic drugs for a long period. Understanding and controlling the supramolecular structure of PLGA microparticles at a molecular level is a prerequisite for the rational design of well-controlled, reproducible sustained-release profiles. Herein, we reveal that the role of PLGA molecular conformation in particle formation and drug release. The nanoscale mobility of PLGA microparticles spray-dried using the solvents with distinct polarities was investigated by using nuclear magnetic resonance (NMR) and neutron scattering. By employing chemometric method, we further demonstrated the evolution of nanoscale networks in spray-dried PLGA microparticles upon the water absorption. Our results indicate that PLGA molecules form more chain entanglements during spray drying when using the solvents with low polarity, where PLGA molecule adopts a more flexible, extended conformation, resulting in that the more resistant network against the water absorption in the spray-dried PLGA microparticles. This work underlines the role of PLGA molecular conformation in controlling formation and evolution of nanoscale network of spray-dried PLGA microparticles and will have important consequences in achieving the customized drug release from PLGA microparticles.

Published
2018

11. Raman and Infrared spectroscopies and X-ray diffraction data on bupivacaine and ropivacaine complexed with 2-hydroxypropyl−β−cyclodextrin

Author

Longo Martins, Murillo, Eckert, Juergen, Jacobsen, Henrik, Carvalho, Everton dos Santos, Ignazzi, Rosanna, de Araujo, Daniele R., Bellissent-Funel, Marie C, Natali, Francesca, Koza, Michael Marek, Matic, Aleksandar, de Paula, Eneida, Nunes Bordallo, Heloisa, Longo Martins, Murillo, Eckert, Juergen, Jacobsen, Henrik, Carvalho, Everton dos Santos, Ignazzi, Rosanna, de Araujo, Daniele R., Bellissent-Funel, Marie C, Natali, Francesca, Koza, Michael Marek, Matic, Aleksandar, de Paula, Eneida, and Nunes Bordallo, Heloisa

Abstract

The data presented in this article are related to the research article entitled “Probing the dynamics of complexed local anesthetics via neutron scattering spectroscopy and DFT calculations (http://dx.doi.org/10.1016/j.ijpharm.2017.03.051)” (Martins et al., 2017) [1]. This work shows the molecular and structural behavior of the local anesthetics (LAs) bupivacaine (BVC, C18H28N2O) and ropivacaine (RVC, C17H26N2O) before and after complexation with the water-soluble oligosaccharide 2-hydroxypropyl−β−cyclodextrin (HP-β-CD).

Published
2017

13. Water desorption and absorption isotherms of sodium montmorillonite:A QENS study

Author

Gates, Will P., Aldridge, Laurie P., Carnero-Guzman, G.G., Mole, Richard A., Yu, Dehong, Iles, Gail N., Klapproth, Alice, Nunes Bordallo, Heloisa, Gates, Will P., Aldridge, Laurie P., Carnero-Guzman, G.G., Mole, Richard A., Yu, Dehong, Iles, Gail N., Klapproth, Alice, and Nunes Bordallo, Heloisa

Published
2017

14. Water Mobility in Chalk:A Quasielastic Neutron Scattering Study

Author

Berg, Marcella Cabrera, Dalby, Kim Nicole, Tsapatsaris, Nikolaos, Okhrimenko, Denis, Sørensen, Henning Osholm, Jha, Diwaker, Embs, J. P., Stipp, Susan Louise Svane, Nunes Bordallo, Heloisa, Berg, Marcella Cabrera, Dalby, Kim Nicole, Tsapatsaris, Nikolaos, Okhrimenko, Denis, Sørensen, Henning Osholm, Jha, Diwaker, Embs, J. P., Stipp, Susan Louise Svane, and Nunes Bordallo, Heloisa

Published
2017

16. Ciprofloxacin intercalated in fluorohectorite clay:identical pure drug activity and toxicity with higher adsorption and controlled release rate

Author

dos Santos, E.C., Rozynek, Z., Hansen, E.L., Hartmann-Petersen, Rasmus, Klitgaard, R.N., Løbner-Olesen, Anders, Michels, L., Mikkelsen, A., Plivelic, Nunes Bordallo, Heloisa, Fossum, J.O., dos Santos, E.C., Rozynek, Z., Hansen, E.L., Hartmann-Petersen, Rasmus, Klitgaard, R.N., Løbner-Olesen, Anders, Michels, L., Mikkelsen, A., Plivelic, Nunes Bordallo, Heloisa, and Fossum, J.O.

Published
2017

21. Water dynamics in glass ionomer cements

Author

Berg, Marcella Cabrera, Jacobsen, Johan, Momsen, Niels C. R., Benetti, Ana Raquel, Telling, Mark T. F., Seydel, Tilo, Nunes Bordallo, Heloisa, Berg, Marcella Cabrera, Jacobsen, Johan, Momsen, Niels C. R., Benetti, Ana Raquel, Telling, Mark T. F., Seydel, Tilo, and Nunes Bordallo, Heloisa

Published
2016

24. Can calcium phosphate improve glass ionomer cements?

Author

Hedal, Solveig, Martins, Murillo, Okhrimenko, Denis, Dalby, Kim Nicole, Strobl, Markus, Kardjilov, Nikolay, Nunes Bordallo, Heloisa, Benetti, Ana Raquel, Hedal, Solveig, Martins, Murillo, Okhrimenko, Denis, Dalby, Kim Nicole, Strobl, Markus, Kardjilov, Nikolay, Nunes Bordallo, Heloisa, and Benetti, Ana Raquel

Published
2015

25. How mobile are protons in the structure of dental glass ionomer cements?

Author

Benetti, Ana Raquel, Jacobsen, Johan, Lehnhoff, Benedict, Momsen, N.C.R., Okhrimenko, Denis, Telling, Mark T. F., Kardjilov, N., Strobl, Markus, Seydel, Tilo, Manke, Ingo, Nunes Bordallo, Heloisa, Benetti, Ana Raquel, Jacobsen, Johan, Lehnhoff, Benedict, Momsen, N.C.R., Okhrimenko, Denis, Telling, Mark T. F., Kardjilov, N., Strobl, Markus, Seydel, Tilo, Manke, Ingo, and Nunes Bordallo, Heloisa

Abstract

The development of dental materials with improved properties and increased longevity can save costs and minimize discomfort for patients. Due to their good biocompatibility, glass ionomer cements are an interesting restorative option. However, these cements have limited mechanical strength to survive in the challenging oral environment. Therefore, a better understanding of the structure and hydration process of these cements can bring the necessary understanding to further developments. Neutrons and X-rays have been used to investigate the highly complex pore structure, as well as to assess the hydrogen mobility within these cements. Our findings suggest that the lower mechanical strength in glass ionomer cements results not only from the presence of pores, but also from the increased hydrogen mobility within the material. The relationship between microstructure, hydrogen mobility and strength brings insights into the material's durability, also demonstrating the need and opening the possibility for further research in these dental cements.

Published
2015

27. Improving glass ionomer cements through hydroxyapatite substitution: The influence of particle size and concentration: the influence of particle size and concentration

Author

Nunes Bordallo, Heloisa, Benetti, Ana Raquel, Madsen, Casper Lillegård, Nunes Bordallo, Heloisa, Benetti, Ana Raquel, and Madsen, Casper Lillegård

Abstract

Glass Ionomer Cement (GIC) bliver brugt i tandplejen som et genopbyggende materiale pga. dets klæbeevne til tandoverfladen, god biokompatibilitet og dets evne til at frigive fluorid. GICs mekaniske egenskaber gør, at det er uegnet i områder med stor belastning, som fx ved store karies i molar om- rådet. Derfor er målet med dette speciale at modificere en kommerciel GIC (Voco Ionofil Molar AC) med en forhåbning om at forbedre de mekaniske og fysiske egenskaber ved materialet. Ideen har her været at erstatte en del af glas-partiklerne med hydroxyapatit i forskellige partikel størrelser og i forskellige koncentrationer. De brugte testmetoder til evalueringen af de eksperimentielle materialer er Compressive Fracture Strength (CFS), Ther- mogravimetric analysis (TGA) og røntgentomografi. Resultaterne fra CFS- testen indikerer, at en 1wt% erstatning er det eksperimentielle materiale, der giver de bedste resultater. Udover dette ser det ud til, at partikelstørrelsen påvirker styrken. Resultaterne indikerer også, at hydroxyapatit-modificeret GIC opnår hurtigere styrke end den kommercielle GIC., Glass ionomer cement (GIC) is used in dentistry as a restorative material due to its adhesion to tooth surfaces, good biocompatibility and its ability to release fluoride. However the mechanical properties make it undesirable for use in load bearing areas, such as large cavities in the molar region. There- fore the aim of this work was to modify a commercial GIC (Voco Ionofil Molar AC) hoping to improve the mechanical and physical properties of this material. The idea was to substitute part of the glass particles with hydrox- yapatite of different particle sizes using different concentrations. The testing methods used to evaluate the properties of the experimental materials were Compressive Fracture Strength (CFS), Thermogravimetric analysis (TGA) and X-ray Tomography. The results from the CFS tests seem to indicate that a 1wt% substitution is the most desirable. Moreover particle size ap- pears to influence the strength. The results also seem to indicate that the hydroxyapatite-modified GIC reaches early strength faster than the commer- cial GIC.

Published
2015

28. Development and characterization of a new bio-nanocomposite (bio-NCP) for diagnosis and treatment of breast cancer

Author

Martins, Murillo L, Saeki, Margarida J., Telling, Mark T. F., Parra, P.R.L., Landsgesell, Sven, Smith, Ron I., Nunes Bordallo, Heloisa, Martins, Murillo L, Saeki, Margarida J., Telling, Mark T. F., Parra, P.R.L., Landsgesell, Sven, Smith, Ron I., and Nunes Bordallo, Heloisa

Abstract

Breast cancer is a public health problem throughout the world. Moreover, breast cancer cells have a great affinity for hydroxyapatite, leading to a high occurrence of bone metastasis. In this work we developed a bio-nanocomposite (bio-NCP) in order to use such affinity in the diagnosis and treatment of breast cancer. The bio-NCP consists of magnetic nanoparticles of Mn and Zn ferrite inside a polymeric coating (chitosan) modified with nanocrystals of apatite. The materials were characterized with synchrotron X-ray Powder Diffraction (XPD), Time-of-Flight Neutron Powder Diffraction (NPD), Fourier Transformed Infra-red Spectroscopy (FTIR), Scanning Electron Microscopy (SEM) and magnetic measurement with a Physical Property Measurement System (PPMS). We obtained ferrite nanoparticles with a high inversion degree of the spinel structure regarding the Fe and Mn, but with all the Zn in the A site. The coating of such nanoparticles with chitosan had no notable effects to the ferrite microstructure. In addition, the polymeric surface can be easily modified with apatite nanocrystals since the hydration of the bio-NCP during synthesis can be controlled. The resulting bio-NCP presents a spherical shape with a narrow size distribution and high magnetic response at room temperature and is a very promising material for early diagnosis of breast cancer and its treatment.

Published
2014

31. Neutron scattering, a powerful tool to study clay minerals

Author

Longo Martins, Murillo, Gates, Will P., Michot, Laurent, Ferrage, Eric, Marry, Virginie, Nunes Bordallo, Heloisa, Longo Martins, Murillo, Gates, Will P., Michot, Laurent, Ferrage, Eric, Marry, Virginie, and Nunes Bordallo, Heloisa

Published
2014

32. Cs2NaAl1-xCrx F6: A family of compounds presenting magnetocaloric effect

Author

Pedro, S.S., Guimaraes Tedesco, Julio Cesar, Yokaichiya, F., Brandão, P., Gomes, A.M., Landsgesell, S., Pires, M.J.M., Sosman, L.P., Mansanares, A.M., Reis, M.S., Nunes Bordallo, Heloisa, Pedro, S.S., Guimaraes Tedesco, Julio Cesar, Yokaichiya, F., Brandão, P., Gomes, A.M., Landsgesell, S., Pires, M.J.M., Sosman, L.P., Mansanares, A.M., Reis, M.S., and Nunes Bordallo, Heloisa

Published
2014

33. Ferrimagnetism and spin excitation in a Ni–Mn partially inverted spinel prepared using a modified polymeric precursor method

Author

Ferreira, R.A., Tedesco, Julio Cesar G., Birk, Jonas Okkels, Kalceff, W., Yokaichiya, F., Rasmussen, Nina, Peña, Octavio, Henry, Paul F., Simeoni, Giovanna G., Nunes Bordallo, Heloisa, Lisboa-Filho, Paulo N., Ferreira, R.A., Tedesco, Julio Cesar G., Birk, Jonas Okkels, Kalceff, W., Yokaichiya, F., Rasmussen, Nina, Peña, Octavio, Henry, Paul F., Simeoni, Giovanna G., Nunes Bordallo, Heloisa, and Lisboa-Filho, Paulo N.

Published
2014

35. 'European Spallation Source - Technical Design Report'

Author

Arleth, Lise, Bertelsen, Mads, Birk, Jonas Okkels, Nunes Bordallo, Heloisa, Carlsen, Henrik, Hansen, Ursula Bengård, Holm, Sonja Lindahl, Høpfner, Louise, Jacobsen, Henrik, Klenø, Kaspar Hewitt, Kynde, Søren Andreas Røssell, Lefmann, Kim, Rasmussen, Nina, Sales, Morten, Skar-Gislinge, Nicholas, Skelboe, Stig, Theodor, Kell, Udby, Linda, Vickery, Anette, Rod, Thomas Holm, Arleth, Lise, Bertelsen, Mads, Birk, Jonas Okkels, Nunes Bordallo, Heloisa, Carlsen, Henrik, Hansen, Ursula Bengård, Holm, Sonja Lindahl, Høpfner, Louise, Jacobsen, Henrik, Klenø, Kaspar Hewitt, Kynde, Søren Andreas Røssell, Lefmann, Kim, Rasmussen, Nina, Sales, Morten, Skar-Gislinge, Nicholas, Skelboe, Stig, Theodor, Kell, Udby, Linda, Vickery, Anette, and Rod, Thomas Holm

Published
2013

37. Making neutron scattering analysis accessible. Imposible mission or just a great challeng?:Neutrons 2.0: International Workshop Software for Neutron Scattering

Author

Böhm, Martin, Nunes Bordallo, Heloisa, Farhi, E., Johnson, M., Kohlbrecher, J., Lieutenant, K., Perring, T., Rodriguez-Carvajal, J., Rotter, M., Taylor, Jon, Udby, Linda, Willendrup, Peter Kjær, Böhm, Martin, Nunes Bordallo, Heloisa, Farhi, E., Johnson, M., Kohlbrecher, J., Lieutenant, K., Perring, T., Rodriguez-Carvajal, J., Rotter, M., Taylor, Jon, Udby, Linda, and Willendrup, Peter Kjær

Published
2013

40. Nano-scale hydrogen-bond network improves the durability of greener cements

Author

Jacobsen, Johan, Rodrigues, Michelle Santos, Telling, Mark T. F., Beraldo, Antonio Ludovic, Santos, Sérgio Francisco, Aldridge, Laurence P., Nunes Bordallo, Heloisa, Jacobsen, Johan, Rodrigues, Michelle Santos, Telling, Mark T. F., Beraldo, Antonio Ludovic, Santos, Sérgio Francisco, Aldridge, Laurence P., and Nunes Bordallo, Heloisa

Published
2013

42. Polymorphic drugs examined with neutron spectroscopy: Is making more stable forms really that simple?

Author

Tsapatsaris, Nikolaos, Landsgesell, Sven, Koza, Michael Marek, Frick, Bernhard, Boldyreva, Elena, Nunes Bordallo, Heloisa, Tsapatsaris, Nikolaos, Landsgesell, Sven, Koza, Michael Marek, Frick, Bernhard, Boldyreva, Elena, and Nunes Bordallo, Heloisa

Abstract

Understanding polymorphism in pharmaceutical ingredients is a long-­ standing challenge. A well-­known example is paracetamol, C8H9NO2. The marketed stable form I crystallizes with corrugated molecular layers. In contrast, form II, which is thermodynamically favorable at high pressures, has relatively planar layers that can slip over each other without difficulty, is metastable at ambient conditions. By means of inelastic neutron scattering we demonstrated that the lattice modes of form II exhibit a sudden 1 meV energy shift at 300 K under a pressure of ca 0.4 GPa. Moreover, evidence of an increase of the vibrational energy in both polymorphs was found, which was accompanied, in form I, by an unexpectedly weak increase of the tunnel splitting. These results indicate an anisotropy of the potential surface probed by the methyl rotor, and are discussed in relation to the differences of the strength of the hydrogen bond environment for each polymorph.

Published
2013

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