Items where Author is "Laurencin, Danielle"

Journal Article

Ashbrook, Sharon E. and Beran, Gregory J.O. and Blahut, Jan and Blanc, Frédéric and Brammer, Lee and Brough, Harry and Brown, Steven P. and Bornes, Carlos and Charpentier, Thibault and Dracinsky, Martin and Dudek, Marta K. and Emsley, Lyndon and Fellowes, Thomas and Gervais, Christel and Griffith, Kent J. and Griffin, John and Goward, Gillian R. and Hodgkinson, Paul and Hughes, Colan E. and Hope, Michael A. and Köcher, Simone S. and Laurencin, Danielle and Li, Zhiyuan and Lill, Sten O.Nilsson and Morris, Andrew J. and Mueller, Leonard J. and Yates, Jonathan R. (2025) Challenges and opportunities for NMR calculations : general discussion. Faraday Discussions, 255. ISSN 1359-6640

Ashbrook, Sharon E. and Blahut, Jan and Blanc, Frédéric and Brammer, Lee and Charpentier, Thibault and Chen, Chia Hsin and Dracinsky, Martin and Dudek, Marta K. and Fellowes, Thomas and Fleischer, Carl H. and Gervais, Christel and Goodwin, Andrew L. and Goward, Gillian R. and Griffin, John and Griffith, Kent J. and Harper, Angela F. and Harris, Kenneth D.M. and Hodgkinson, Paul and Holmes, Jacob B. and Hope, Michael A. and Hughes, Colan E. and Khimyak, Yaroslav Z. and Köcher, Simone S. and Laurencin, Danielle and Morris, Andrew J. and Mueller, Leonard J. and Nilsson Lill, Sten O. and Ongkiko, Mario Antonio and Owen, Christopher and Pham, Tran N. and Thureau, Pierre and Torodii, Daria and Zorin, Vadim (2025) Understanding dynamics and mechanisms : general discussion. Faraday Discussions, 255. pp. 553-582. ISSN 1359-6640

Gras, Pierre and Baker, Annabelle and Combes, Christèle and Rey, Christian and Sarda, Stéphanie and Wright, Adrian J. and Smith, Mark Edmund and Hanna, John V. and Gervais, Christel and Laurencin, Danielle and Bonhomme, Christian (2016) From crystalline to amorphous calcium pyrophosphates : a solid state Nuclear Magnetic Resonance perspective. Acta Biomaterialia, 31. pp. 348-357. ISSN 1742-7061

Berthomieu, Dorothée and Gervais, Christel and Renaudin, Guillaume and Reinholdt, Marc and Sene, Saad and Smith, Mark E. and Bonhomme, Christian and Laurencin, Danielle (2015) Coordination polymers based on alkylboronate ligands : synthesis, characterization, and computational modelling. European Journal of Inorganic Chemistry, 2015 (7). pp. 1182-1191. ISSN 1434-1948

Sene, Saad and Bégu, Sylvie and Gervais, Christel and Renaudin, Guillaume and Mesbah, Adel and Smith, Mark E. and Mutin, P. Hubert and Van Der Lee, Arie and Nedelec, Jean-marie and Bonhomme, Christian and Laurencin, Danielle (2015) Intercalation of benzoxaborolate anions in layered double hydroxides : toward hybrid formulations for benzoxaborole drugs. Chemistry of Materials, 27 (4). pp. 1242-1254. ISSN 0897-4756

Sene, Saad and Bouchevreau, Boris and Martineau, Charlotte and Gervais, Christel and Bonhomme, Christian and Gaveau, Philippe and Mauri, Francesco and Bégu, Sylvie and Mutin, P. Hubert and Smith, Mark E. and Laurencin, Danielle (2013) Structural study of calcium phosphonates : a combined synchrotron powder diffraction, solid-state NMR and first-principle calculations approach. CrystEngComm, 15 (43). pp. 8763-8775. ISSN 1466-8033

Colas, Hélène and Bonhomme-coury, Laure and Diogo, Cristina Coelho and Tielens, Frederik and Babonneau, Florence and Gervais, Christel and Bazin, Dominique and Laurencin, Danielle and Smith, Mark E. and Hanna, John V. and Daudon, Michel and Bonhomme, Christian (2013) Whewellite, CaC2O4⋅H2O : structural study by a combined NMR, crystallography and modelling approach. CrystEngComm, 15 (43). pp. 8840-8847. ISSN 1466-8033

Sene, Saad and Reinholdt, Marc and Renaudin, Guillaume and Berthomieu, Dorothée and Zicovich-wilson, Claudio M. and Gervais, Christel and Gaveau, Philippe and Bonhomme, Christian and Filinchuk, Yaroslav and Smith, Mark E. and Nedelec, Jean-marie and Bégu, Sylvie and Mutin, P. Hubert and Laurencin, Danielle (2013) Boronate ligands in materials : determining their local environment by using a combination of IR/solid-state NMR spectroscopies and DFT calculations. Chemistry - A European Journal, 19 (3). pp. 880-891. ISSN 0947-6539

Laurencin, Danielle and Smith, Mark E. (2013) Development of 43Ca solid state NMR spectroscopy as a probe of local structure in inorganic and molecular materials. Progress in Nuclear Magnetic Resonance Spectroscopy, 68. pp. 1-40. ISSN 0079-6565

Bonhomme, Christian and Gervais, Christel and Folliet, Nicolas and Pourpoint, Frédérique and Coelho Diogo, Cristina and Lao, Jonathan and Jallot, Edouard and Lacroix, Joséphine and Nedelec, Jean-Marie and Iuga, Dinu and Hanna, John V. and Smith, Mark E. and Xiang, Ye and Du, Jincheng and Laurencin, Danielle (2012) Sr Solid-State NMR as a Structurally Sensitive Tool for the Investigation of Materials : Antiosteoporotic Pharmaceuticals and Bioactive Glasses. Journal of the American Chemical Society, 134 (30). pp. 12611-12628. ISSN 0002-7863

El Malti, Wassim and Laurencin, Danielle and Guerrero, Gilles and Smith, Mark E. and Mutin, P. Hubert (2012) Surface modification of calcium carbonate with phosphonic acids. Journal of Materials Chemistry, 22 (3). pp. 1212-1218. ISSN 0959-9428

Slater, Colin and Laurencin, Danielle and Burnell, Victoria and Smith, Mark E. and Grover, Liam M. and Hriljac, Joseph A. and Wright, Adrian J. (2011) Enhanced stability and local structure in biologically relevant amorphous materials containing pyrophosphate. Journal of Materials Chemistry, 21 (46). pp. 18783-18791. ISSN 0959-9428

Pourpoint, Frédérique and Coelho Diogo, Cristina and Gervais, Christel and Bonhomme, Christian and Fayon, Franck and Laurencin-Dalicieux, Sara and Gennero, Isabelle and Salles, Jean-Pierre and Howes, Andrew P. and Dupree, Ray and Hanna, John V. and Smith, Mark E. and Mauri, Francesco and Guerrero, Gilles and Mutin, P. Hubert and Laurencin, Danielle (2011) High-resolution solid state NMR experiments for the characterization of calcium phosphate biomaterials and biominerals. Journal of Materials Research, 26 (18). pp. 2355-2368. ISSN 2044-5326

Diallo-Garcia, Sarah and Laurencin, Danielle and Krafft, Jean-Marc and Casale, Sandra and Smith, Mark E. and Lauron-Pernot, Hélène and Costentin, Guylène (2011) Influence of magnesium substitution on the basic properties of hydroxyapatites. The Journal of Physical Chemistry C, 115 (49). pp. 24317-24327. ISSN 1932-7455

Laurencin, Danielle and Almora-Barrios, Neyvis and Leeuw, Nora H. de and Gervais, Christel and Bonhomme, Christian and Mauri, Francesco and Chrzanowski, Wojciech and Knowles, Jonathan C. and Newport, Robert J. and Wong, Alan and Gan, Zhehong and Smith, Mark E. (2011) Magnesium incorporation into hydroxyapatite. Biomaterials, 32 (7). pp. 1826-1837.

Reinholdt, Marc and Croissant, Jonas and Carlo, Lidia Di and Granier, Dominique and Gaveau, Philippe and Bégu, Sylvie and Devoisselle, Jean-Marie and Mutin, P. Hubert and Smith, Mark E. and Bonhomme, Christian and Gervais, Christel and Lee, Arie van der and Laurencin, Danielle (2011) Synthesis and characterization of crystalline structures based on phenylboronate ligands bound to alkaline earth cations. Synthesis and Reactivity in Inorganic, Metal-Organic, and Nano-Metal Chemistry, 50 (16). pp. 7802-7810.

Laurencin, Danielle and Wong, Alan and Chrzanowski, Wojciech and Knowles, Jonathan C. and Qiu, Dong and Pickup, David M. and Newport, Robert J. and Gan, Zhehong and Duer, Melinda J. and Smith, Mark E. (2010) Probing the calcium and sodium local environment in bones and teeth using multinuclear solid state NMR and X-ray absorption spectroscopy. Physical Chemistry Chemical Physics, 12 (5). pp. 1081-1091. ISSN 1463-9076

Laurencin, Danielle and Gervais, Christel and Wong, Alan and Coelho, Cristina and Mauri, Francesco and Massiot, Dominique and Smith, Mark E. and Bonhomme, Christian (2009) Implementation of high resolution (43)Ca solid state NMR spectroscopy: toward the elucidation of calcium sites in biological materials. Journal of the American Chemical Society, 131 (37). pp. 13430-13440. ISSN 1520-5126

Wong, Alan and Laurencin, Danielle and Dupree, Ray and Smith, Mark E. (2009) Two-dimensional Ca-43-H-1 correlation solid-state NMR spectroscopy. Solid State Nuclear Magnetic Resonance, 35 (1). pp. 32-36. ISSN 1527-3326

Gervais, Christel and Laurencin, Danielle and Wong, Alan and Pourpoint, Frédérique and Labram, John and Woodward, Bleddyn and Howes, Andrew P. and Pike, Kevin J. and Dupree, Ray and Mauri, Francesco and Bonhomme, Christian and Smith, Mark E. (2008) New perspectives on calcium environments in inorganic materials containing calcium–oxygen bonds : a combined computational–experimental 43Ca NMR approach. Chemical Physics Letters, 464 (1-3). pp. 42-48. ISSN 0009-2614

Wong, Alan and Laurencin, Danielle and Wu, Gang and Dupree, Ray and Smith, Mark E. (2008) An ab initio quantum chemical investigation of Ca-43 NMR interaction parameters for the Ca2+ sites in organic complexes and in metalloproteins. Journal of Physical Chemistry A, 112 (40). pp. 9807-9813. ISSN 1520-5215

Laurencin, Danielle and Wong, Alan and Dupree, Ray and Smith, Mark E. (2008) Natural abundance Ca-43 solid-state NMR characterisation of hydroxyapatite: identification of the two calcium sites. Magnetic Resonance in Chemistry, 46 (4). pp. 347-350. ISSN 1097-458X

Laurencin, Danielle and Wong, Alan and Hanna, John V. and Dupree, Ray and Smith, Mark E. (2008) A high-resolution Ca-43 solid-state NMR study of the calcium sites of hydroxyapatite. Journal of the American Chemical Society, 130 (8). pp. 2412-2413. ISSN 1520-5126