{"id":39,"date":"2019-11-14T22:56:00","date_gmt":"2019-11-14T22:56:00","guid":{"rendered":"https:\/\/fs.wp.odu.edu\/spagola\/?page_id=39"},"modified":"2025-07-24T22:56:47","modified_gmt":"2025-07-24T22:56:47","slug":"publications-list","status":"publish","type":"page","link":"https:\/\/fs.wp.odu.edu\/spagola\/publications-list\/","title":{"rendered":"Publications List"},"content":{"rendered":"\n
44) “Amorphous quininium aspirinate from neat mechanochemistry: diffracting nanocrystalline domains and quick recrystallization upon exposure to solvent vapours”.<\/strong> Silvina Pagola, James Howard, Johannes Merkelbach and Danny Stam. RSC Mechanochemistry<\/em>, 2025.
DOI: 10.1039\/d5mr00028a<\/a>

43) “A comparison of microcrystal electron diffraction and X-ray powder diffraction for the structural analysis of metal\u2013organic frameworks<\/strong>” Erik Biehler, Silvina Pagola, Daniel Stam, Johannes Merkelbach, Christian Jandl, and Tarek M. Abdel-Fattah. Journal of Applied Crystallography,<\/em> 2025, https:\/\/doi.org\/10.1107\/S1600576724012068<\/a>

42) “Outstanding Advantages, Current Drawbacks, and Significant Recent Developments in Mechanochemistry: A Perspective View”<\/strong> Silvina Pagola. Crystals<\/em>, 2023, 13<\/em>(1), 124. https:\/\/doi.org\/10.3390\/cryst13010124<\/a> (Review).

41) \u201cMechanochemical synthesis insights and solid-state characterization of quininium aspirinate, a glass-forming drug-drug salt\u201d <\/strong>Nehemiah Harris, Jubilee Benedict, Diane A. Dickie and Silvina Pagola. Acta Crystallographica <\/em>2021, C77, 566-576. https:\/\/doi.org\/10.1107\/S2053229621008275<\/a>

40) \u201cStrength enhancement in ice-templated lithium titanate Li4<\/sub>Ti5<\/sub>O12<\/sub> materials using sucrose\u201d<\/strong> R. Parai, T. Walters, J. Marin, S. Pagola, G. M. Koenig Jr. and D. Ghosh. Materialia<\/em> 2020, 14, 100901.

39) \u201cCrystal and molecular structure of fenspiride, C15<\/sub>H20<\/sub>N2<\/sub>O2<\/sub>\u201d<\/strong> S. Pagola. Powder Diffraction<\/em> 2020, 35 (2), 144-146. DOI: 10.1017\/S0885715620000159<\/a>

38) “Tetrathiafulvalene: A Gate to the Mechanochemical Mechanisms of Electron Transfer Reactions”<\/strong> R. Chen, M. K. Gokus and S. Pagola. Crystals <\/em>(2020) 10(6), 482. https:\/\/www.mdpi.com\/2073-4352\/10\/6\/482<\/a>

37) \u201cAccessing new charge transfer complexes of tetrathiafulvalene by \u201cgreen\u201d chemistry: mechanochemical synthesis and solid-state characterization of a new tetrathiafulvalene chloranilic acid polymorph\u201d<\/strong> J. Jones, V. Ta Phuoc, L. del Campo, N. E. Massa, C. M. Brown and S. Pagola. Crystal Growth & Design<\/em> (2019) 19, 4970\u22124980. https:\/\/doi.org\/10.1021\/acs.cgd.9b00182 <\/a>

36) \u201cFour interpenetrating hydrogen-bonded three-dimensional networks in divanillin\u201d<\/strong> M. R. Imer, V. Aldabalde, S. Pagola, J. van de Streek and L. Suescun. Acta Cryst. <\/em>(2018) C74, 1768\u20131773. \u00a0DOI:\u00a010.1107\/S2053229618016200<\/a>

35) Guest editor of the\u00a0Crystals<\/em>\u00a0special Issue “Structural Analysis of Crystalline Materials from Powders” at http:\/\/www.mdpi.com\/journal\/crystals\/special_issues\/structural_analysis#published<\/a><\/strong>

34) “Revisiting the crystal structure of [Co(NH<\/strong>3<\/sub>)<\/strong>5<\/sub>Cl]Cl<\/strong>2<\/sub>\u00a0using synchrotron powder diffraction: To what extent single crystal diffraction from 1960\u2019s got it right?”.\u00a0<\/strong>S. Mohamud and S. Pagola.\u00a0Powder Diffraction<\/em>\u00a032:3 (2017) 179-186. \u00a0https:\/\/doi.org\/10.1017\/S0885715617000677<\/a>

33) “WinPSSP: a revamp of the computer program PSSP and its performance solving the crystal structures of small organic compounds and solids of biological and pharmaceutical interest”\u00a0 <\/strong>S. Pagola, A. Polymeros and N. Kourkoumelis,\u00a0J. Appl. Cryst.<\/em>\u00a050 (2017) 293-303. https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1107\/S160057671601846X<\/a>

32) \u201cTTF-DDQ: Two \u201cgreen\u201d synthetic routes, crystal structure and band gap from FT-IR spectroscopy\u201d<\/strong>.\u00a0S. Mohamud, V. Ta Phuoc, L. del Campo, N. E. Massa and S. Pagola.\u00a0Synthetic Metals\u00a0<\/em>214 (2016) 71\u201375. https:\/\/doi.org\/10.1016\/j.synthmet.2016.01.016<\/a>

31) \u201cThe black polymorph of TTF-CA: TTF polymorphism and solvent effect in mechanochemical and vapor digestion syntheses, FT-IR, crystal packing and electronic structure\u201d\u00a0<\/strong>S. H. Lapidus, A. Naik, A. Wixtrom, N. E. Massa, V. Ta Phuoc, L. del Campo, S. Leb\u00e8gue, J. G. \u00c1ngy\u00e1n, T. M. Abdel-Fattah and S. Pagola.\u00a0Crystal\u00a0Growth & Design\u00a0<\/em>(2014), 14, 91\u2212100. https:\/\/doi.org\/10.1021\/cg401203r<\/a>

30) \u201cCrystal Structures of Manganese and Cobalt Dichloride Monohydrate and Deuteration Effects on Magnetic Behavior\u201d\u00a0<\/strong>S. Pagola,\u00a0K. T. Trowell, K. C. Havas,\u00a0Z. D. Reed, D. G. Chan and G. C. Defotis.\u00a0Inorg. Chem.<\/em>\u00a0(2013), 52, 13341\u221213350. https:\/\/doi.org\/10.1021\/ic4013075<\/a>

29) \u201cMechanochemical Conversions Between Crystalline Polymorphs of a Complex Organic Solid\u201d<\/strong>, B. D. Altheimer, S. Pagola, M. Zeller and M. A. Mehta.\u00a0Crystal\u00a0Growth & Design<\/em>\u00a0(2013), 13(8), 3447-3453. https:\/\/doi.org\/10.1021\/cg400344z<\/a>

28) \u201cStructural study of an unusually large molecular solid from powder diffraction: the sequential unravelling of hydrogen bonding and van der Waals interactions contributing to the Z\u2019=2 crystal packing of amcinonide\u201d.<\/strong>\u00a0S. Pagola and P. W. Stephens.\u00a0CrystEngComm.\u00a0<\/em>(2012), 14, 5349\u20135354. https:\/\/doi.org\/10.1039\/C2CE25274K<\/a>

27) \u201c<\/em>Lead hexacyanoferrate(II) tetrahydrate: Crystal structure, FTIR spectroscopy and thermal decomposition studies\u201d.\u00a0<\/strong>D. M. Gil, M. Avila, E. Reguera, S. Pagola, M. I. G\u00f3mez, R. E. Carbonio.\u00a0Polyhedron<\/em>\u00a033:1 (2012) 450-455.

26) \u201cSolvent-drop assisted mechanochemical synthesis of the black and green polymorphs of the tetrathiafulvalene\u2013chloranil charge transfer salt\u201d.\u00a0<\/strong>S. Benjamin,\u00a0S. Pagola, Z. Huba, E. Carpenter and T. Abdel-Fattah.\u00a0Synthetic Metals,<\/em>\u00a0161, 11:12 (2011) 996-1000.

25) \u201cPSSP<\/em>, a computer program for the crystal structure solution of molecular materials from X-ray powder diffraction data.\u201d<\/strong>\u00a0S. Pagola and P. W. Stephens.\u00a0J. Appl. Cryst.\u00a0<\/em>(2010), 43, 370-376. https:\/\/doi.org\/10.1107\/S0021889810005509<\/a>

24) \u201cHerringbone array of hydrogen-bonded ribbons in 2-ethoxybenzamide from high resolution X-ray powder diffraction\u201d\u00a0<\/strong>S. Pagola and P. W. Stephens.\u00a0Acta Cryst.\u00a0<\/em>C65 (2009) o583-o586.

23) \u201cStereochemistry determination by powder X-ray diffraction analysis and NMR spectroscopy residual dipolar couplings\u201d.\u00a0<\/strong>M. E. Garc\u00eda, S. Pagola, A. Navarro-V\u00e1zquez, D. D. Phillips, C. Gayathri, H. Krakauer, P.W. Stephens, V. E. Nicotra and R. R. Gil.\u00a0Angew. Chem. Int. Ed.\u00a0<\/em>(2009), 48, 5670-5674. https:\/\/doi.org\/10.1002\/ange.200900760<\/a>

22) \u201cMethyl gallate\u201d.\u00a0<\/strong>D. Bebout and S. Pagola.\u00a0Acta Cryst.\u00a0<\/em>E65 (2009), o317-o318.

21) \u201cSideroxylin from\u00a0Miconia ioneura<\/em>: monohydrate crystal structure from high resolution X-ray powder diffraction\u201d.\u00a0<\/strong>S. Pagola, M. I. Tracanna, S. M. Amani, A. M. Gonz\u00e1lez, A. B. Raschi, E. Romano, A. M. Benavente and P. W. Stephens.\u00a0Natural Product Communications<\/em>, 3:5 (2008), 759-764 and 3:6 (2008), 1003.

20) \u201cPoly[u-2-aminopyrazine-k2<\/sup>N<\/em>1<\/sup>:N<\/em>4<\/sup>-m-cyanido-copper(I)]: a three-dimensional network from laboratory powder diffraction data\u201d.\u00a0<\/strong>S. Pagola, R. D. Pike, K. deKrafft and T. A. Tronic.\u00a0Acta Cryst. C<\/em>\u00a064 (2008)
m134-136.

19) \u201cThe crystal structure and physicochemical characteristics of 2-Hydroxy-N<\/em>-[3(5)-pyrazolyl]-1,4-naphthoquinone-4-imine, a new antitrypanosomal compound\u201d.\u00a0<\/strong>N. R. Sperandeo, A. Karlsson, S. Cuffini, S. Pagola and P. W. Stephens.\u00a0AAPS PharmSciTech<\/em>\u00a0(2005); 6:4, article 82.

18) \u201cStructural refinement of Nd[Fe(CN)6<\/sub>].4H2<\/sub>O and study of NdFeO3<\/sub>\u00a0obtained by its oxidative thermal decomposition at very low temperatures.\u201d\u00a0\u00a0<\/strong>M. C. Navarro, M. I. G\u00f3mez, E. V. Pannunzio-Minner, S. Pagola and R. E. Carbonio.\u00a0J. Solid State Chem.\u00a0<\/em>178:3 (2005) 847-854.

17) \u201cCrystal structure determination of thymoquinone by high-resolution X-ray powder diffraction\u201d.\u00a0<\/strong>S. Pagola, A. Benavente, A. Raschi, E. Romano, M. A. A. Molina and P. W. Stephens.\u00a0AAPS PharmSciTech\u00a0<\/em>(2004); 5:2, article 28.\u00a0

16) \u201cStructure and magnetic properties of Sr2<\/sub>CoWO6<\/sub>: an ordered double perovskite containing Co2+<\/sup>\u00a0(HS) with unquenched orbital magnetic moment\u201d.\u00a0<\/strong>M. C. Viola, M. J. Mart\u00ednez-Lope, J. A. Alonso, J. L. Mart\u00ednez,
J. M. De Paoli, S. Pagola, J. C. Pedregosa, M. T. Fern\u00e1ndez-D\u00edaz and R. E. Carbonio.\u00a0Chem. Mater<\/em>. 15 (2003), 1655-1663.

15) \u201cVervey Transition under oxygen loading in RbaFe2<\/sub>O5+w<\/sub>\u00a0(R=Nd and Sm)\u201d.\u00a0<\/strong>P. Karen, P. M. Woodward, P. N. Santhosh, T. Vogt, P. W. Stephens and S. Pagola.\u00a0J. Solid State Chem.\u00a0<\/em>167:2 (2002) 480-493.

14) \u201cCrystal Structure Solution of Dark Red, Light Red and Orange Polymorphs of 5-methyl-2-[(2-nitro-4-methylphenyl)amino]-3-thiophenecarbonitrile by High Resolution X-ray Powder Diffraction and Simulated Annealing Techniques\u201d.\u00a0<\/strong>S. Pagola, P.W. Stephens, X. He and S.R. Byrn.\u00a0Materials Science Forum,<\/em>\u00a0378-381 (2001) 789-794.

13) \u201cAb<\/em>-initio Structure Solution of BaFeO2.8-d<\/sub>, a New Polytype in the System BaFeOy<\/sub>\u00a0(2.5\u00a0<\u00a0y\u00a0<\u00a03.0) Prepared from the Oxidative Thermal Decomposition of BaFe[(CN)5<\/sub>NO].3H2<\/sub>O.\u201d\u00a0<\/strong>M.I. G\u00f3mez, G. Lucotti, J.A. de Mor\u00e1n, P.J. Aymonino, S. Pagola, P. W. Stephens and R.E. Carbonio.\u00a0J. Solid State Chem.\u00a0<\/em>160 (2001) 17-24.

12) \u201cMicroscopic changes in HoNiB2<\/sub>C due to thermal treatment and its effect on superconductivity\u201d.\u00a0<\/strong>A. Dertinger, R. E. Dinnebier, A. Kreyssig, P.W. Stephens, S. Pagola, M. Loewenhaupt, S. van Smaalen and H. F. Braun.\u00a0Physical Review B<\/em>\u00a063, 18 (2001) article 184518.

11) \u201cStructural development during deformation of polyurethane containing polyhedral oligomeric silsesquioxanes (POSS) molecules\u201d.\u00a0<\/strong>B.X. Fu, B. S. Hsiao, S. Pagola, P. W. Stephens, H. White, M. Rafailovich, J. Sokolov, P. T. Mather, H. G. Jeon, S. Phillips, J. Lichtenhan and J. Schwab.\u00a0Polymer\u00a0<\/em>42 (2001) 599-611.

10) \u201cThe Structure of Malaria Pigment\u00a0beta-haematin\u201d.\u00a0<\/strong>S. Pagola, P. W. Stephens, D. S. Bohle, A. D. Kosar and S. K. Madsen.\u00a0Nature<\/em>, 404 (2000) 307-310. https:\/\/doi.org\/10.1038\/35005132<\/a>

9) \u201cTowards the Solution of Organic Crystal Structures by Powder Diffraction\u201d.\u00a0<\/strong>S. Pagola and P. W. Stephens.\u00a0Materials Science Forum<\/em>\u00a0321-324 (2000) 40-45.

8) \u201cX-ray Study of Strains and Dislocation Density in Epitaxial Cu\/Ni\/Cu\/Si(001) Films\u201d.\u00a0<\/strong>K. Ha, M. Ciria, R.C. O\u2019Handley, P.W. Stephens and S. Pagola.\u00a0Physical Review B<\/em>\u00a060, 19 (1999) 13780-13785.

7) \u201cOrder-disorder Phenomena Determined by High-resolution Powder Diffraction: the Structures of tetrakis (trimethylsilyl)methane C[Si(CH3<\/sub>)3<\/sub>]4<\/sub>\u00a0and tetrakis(trimethylsilyl)silane Si[Si(CH3<\/sub>)3<\/sub>]4<\/sub>\u201d.\u00a0<\/strong>R. E. Dinnebier, W.A. Dollase, X. Helluy, J. Kummerlen, A. Sebald, M.U. Schmidt, S. Pagola, P.W. Stephens and S. van Smaalen.\u00a0Acta Cryst. B<\/em>\u00a055 (1999) 1014-1029.

6) \u201cStructure and Magnetic ordering of MII<\/sup>[N(CN)2<\/sub>]2<\/sub>\u00a0(M=Co, Ni)\u201d.\u00a0<\/strong>J. L. Manson, C.R.\u00a0Kmety, Q. Huang, J. W. Lynn, G. Bendele, S. Pagola, P. W. Stephens, L. M. Liable-Sands, A. L. Rheingold, A. J. Epstein and J.S. Miller.\u00a0Chem. Mater.\u00a0<\/em>10 (1998) 2552-2560.

5) \u201cCrystal Structure Refinement of Mg5<\/sub>Nb4<\/sub>O15<\/sub>\u00a0and Mg5<\/sub>Ta4<\/sub>O15<\/sub>\u00a0by Rietveld Analysis of Neutron Powder Diffraction Data\u201d.\u00a0<\/strong>S. Pagola, R. E. Carbonio, M. T. Fern\u00e1ndez-D\u00edaz and J. A. Alonso.\u00a0J. Solid State Chem.\u00a0<\/em>137:2 (1998) 359-364.

4) \u201cCrystal Structure Refinement of MgNb2<\/sub>O6<\/sub>\u00a0columbite from Neutron Powder Diffraction Data and Study of the Ternary System MgO-Nb2<\/sub>O5<\/sub>-NbO with Evidence of Formation of New Reduced Pseudobrookite <\/strong>
Mg5-x<\/sub>Nb4+x<\/sub>O15-d<\/sub>\u00a0(1.14\u00a0<\u00a0x\u00a0< \u00a01.60) Phases\u201d.\u00a0<\/strong>S. Pagola, R. E. Carbonio, J. A. Alonso and M. T. Fern\u00e1ndez-D\u00edaz.\u00a0J. Solid State Chem.<\/em>\u00a0134:1 (1997) 76-84.

3) \u201cCrystal Structure Refinement of Ba5<\/sub>Nb4<\/sub>O15<\/sub>\u00a0and Ba5<\/sub>Nb4<\/sub>O15-x<\/sub>\u00a0by Rietveld Analysis of Neutron and X-ray Diffraction Data\u201d.\u00a0<\/strong>S. Pagola, G. Polla, G. Leyva,\u00a0M.T.\u00a0Casais, J.A. Alonso, I.\u00a0Rasines\u00a0and R.E.\u00a0Carbonio.\u00a0Materials Science Forum<\/em>\u00a0228-231 (1996) 819-824.

2) \u201cFar Infrared Reflectivity and Raman Spectra of Ba5<\/sub>Nb4<\/sub>O15<\/sub>\u201d.\u00a0<\/strong>S. Pagola, N. E. Massa and R. E. Carbonio.\u00a0Physical Review B<\/em>\u00a053, 13 (1996) 8148-8150.

1) \u201cInfrared and Transport Properties of the Layered Perovskite Related Oxide Ba5<\/sub>Nb4<\/sub>O15<\/sub>\u00a0and its Oxygen Deficient Phases\u201d.\u00a0<\/strong>S. Pagola, N. E.\u00a0Massa, G. Polla, G. Leyva and R. E. Carbonio.\u00a0Physica C<\/em>\u00a0235-240 (1994) 755-756.<\/td><\/tr><\/tbody><\/table><\/figure>\n\n\n\n

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44) “Amorphous quininium aspirinate from neat mechanochemistry: diffracting nanocrystalline domains and quick recrystallization upon exposure to solvent vapours”. Silvina Pagola, James Howard, Johannes Merkelbach and Danny Stam. RSC Mechanochemistry, 2025.DOI: 10.1039\/d5mr00028a 43) “A comparison of microcrystal electron diffraction and X-ray powder diffraction for the structural analysis of metal\u2013organic frameworks” Erik Biehler, Silvina Pagola, Daniel Stam, … Continue reading Publications List<\/span><\/a><\/p>\n","protected":false},"author":13317,"featured_media":99,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"full-width.php","meta":{"footnotes":""},"_links":{"self":[{"href":"https:\/\/fs.wp.odu.edu\/spagola\/wp-json\/wp\/v2\/pages\/39"}],"collection":[{"href":"https:\/\/fs.wp.odu.edu\/spagola\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/fs.wp.odu.edu\/spagola\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/fs.wp.odu.edu\/spagola\/wp-json\/wp\/v2\/users\/13317"}],"replies":[{"embeddable":true,"href":"https:\/\/fs.wp.odu.edu\/spagola\/wp-json\/wp\/v2\/comments?post=39"}],"version-history":[{"count":5,"href":"https:\/\/fs.wp.odu.edu\/spagola\/wp-json\/wp\/v2\/pages\/39\/revisions"}],"predecessor-version":[{"id":494,"href":"https:\/\/fs.wp.odu.edu\/spagola\/wp-json\/wp\/v2\/pages\/39\/revisions\/494"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/fs.wp.odu.edu\/spagola\/wp-json\/wp\/v2\/media\/99"}],"wp:attachment":[{"href":"https:\/\/fs.wp.odu.edu\/spagola\/wp-json\/wp\/v2\/media?parent=39"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}