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Dissertations / Theses on the topic 'Polymorphism (crystallography)'

Author: Grafiati

Published: 4 June 2021

Last updated: 6 September 2023

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1

Hammond, Robert Paul. "The structural chemistry of the stuffed tridymites A[BPO4] (A=Na; Ag; b=Be, Co, Zn) and A[BCO4] (A=Na, K; B=Al, Fe; C=Si, Ge) /." *McMaster only, 1996.

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Donahue, Michael J. "Polymorph characterization and control /." View online ; access limited to URI, 2007. http://0-digitalcommons.uri.edu.helin.uri.edu/dissertations/AAI3276988.

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3

Wells, David F. "Experimental and computational study of the detection and stability of polymorphs using PXRD, DSC and solubility /." View online ; access limited to URI, 2008. http://0-digitalcommons.uri.edu.helin.uri.edu/dissertations/AAI3314449.

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4

Chavez, Krystle J. "Crystallization of pseudopolymorphic forms of sodium naproxen in mixed solvent systems." Diss., Atlanta, Ga. : Georgia Institute of Technology, 2009. http://hdl.handle.net/1853/29759.

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Thesis (Ph.D)--Chemical Engineering, Georgia Institute of Technology, 2009.<br>Committee Chair: Rousseau, Ronald; Committee Member: Meredith, Carson; Committee Member: Prausnitz, Mark; Committee Member: Teja, Amyn; Committee Member: Wilkinson, Angus. Part of the SMARTech Electronic Thesis and Dissertation Collection.

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5

Strachan, Clare, and n/a. "Spectroscopic investigation and quantitation of polymorphism and crystallinity of pharmaceutical compounds." University of Otago. School of Pharmacy, 2005. http://adt.otago.ac.nz./public/adt-NZDU20070427.141108.

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Spectroscopy is increasingly used to investigate and monitor the solid state forms of pharmaceutical materials and products. Spectroscopy�s speed, nondestructive sampling, compatibility with fibre optics and safety also make it attractive for in-line monitoring. In this thesis, the spectroscopic techniques Fourier transform Raman spectroscopy, terahertz pulsed spectroscopy and second harmonic generation were used to characterise and quantify polymorphism and crystallinity of pharmaceutical compounds. Where possible, the multivariate analysis technique partial least squares was used for quant

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6

Tian, Fang, and n/a. "Towards a deeper understanding of the polymorphic conversion of carbamazepine in aqueous suspension." University of Otago. School of Pharmacy, 2007. http://adt.otago.ac.nz./public/adt-NZDU20070601.135438.

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Polymorphism can influence every aspect of the properties of a solid including the shelf life, dissolution rate, solubility, formulation properties and processing properties of a solid drug. A deeper understanding of polymorphism and related solid state properties would ensure an improved quality of the materials used throughout drug preparation, dosage form formulation and clinical trials. Therefore, determination of the existence of polymorphs and pseudopolymorphs, characterization of different solid state forms and their respective properties, and controlling the existing form in the result

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7

Johnstone, Russell D. L. "Effect of high pressure on structural oddities." Thesis, University of Edinburgh, 2010. http://hdl.handle.net/1842/3784.

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This thesis describes the effect of pressure on crystal structures that are in some way unusual. The aim was to investigate whether pressure could be used to force these ‘structural oddities’ to conform to more conventional behaviour. In many cases pressure-induced phase transitions were observed, and the driving forces of these are considered. L-serine monohydrate crystallises with layers of hydrogen bonded serine molecules. Layers are linked together by H-bonds from the donor atoms of water molecules. The orientation of the water molecules between the layers is uncommon for other layered hyd

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8

Cooper, Brian J. "The investigation of the optical properties of polytypic minerals." Diss., Virginia Polytechnic Institute and State University, 1988. http://hdl.handle.net/10919/53682.

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A new approach to the investigation of the optical properties of polytypic minerals that combines spindle stage techniques, X-ray diffraction methods, electron microprobe analysis, and dielectric tensor calculations has been developed and applied to zinc sulfides and chloritoids. For the first time, X—ray diffraction studies of natural anisotropic zinc sulfides have documented the simultaneous occurrence of twinning and stacking disorder along more than one of the four symmetry equivalent <111> directions of sphalerite. Precession photographs of optically anisotropic zinc sulfides are charact

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9

Zelaya, Carlos A. "6,6’-Dimethoxygossypol: Molecular Structure, Crystal Polymorphism, and Solvate Formation." ScholarWorks@UNO, 2011. http://scholarworks.uno.edu/td/136.

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6,6’-Dimethoxygossypol (DMG) is a natural product of the cotton variety Gossypium barbadense and a derivative of gossypol. Gossypol has been shown to form an abundant number of clathrates with a large variety of compounds. One of the primary reasons why gossypol can form clathrates has been because of its ability to from extensive hydrogen bonding networks due to its hydroxyl and aldehyde functional groups. Prior to this work, the only known solvate that DMG formed was with acetic acid. DMG has methoxy groups substituted at two hydroxyl positions, and consequently there is a decrease in its ab

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10

Bayés-García, Laura. "Polymorphism and Solid State Miscibility of Triacylglycerols. Application to Food Authentication." Doctoral thesis, Universitat de Barcelona, 2013. http://hdl.handle.net/10803/129313.

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Esta tesis se basa fundamentalmente en el estudio in situ del polimorfismo de triacilgliceroles (TAGs) mayoritarios de aceites y grasas alimentarios, la determinación del comportamiento de fases de algunas de sus mezclas binarias, y la aplicación del polimorfismo como herramienta para la autentificación de productos alimentarios. Se ha llevado a cabo la caracterización polimórfica de los TAGs POP, OPO, POO, POL, SOO, OOO y OOL, básicamente utilizando una combinación de calorimetría diferencial de barrido y difracción de rayos X con radiación sincrotrón (SAXD y WAXD). Así, se han podido monito

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11

Ngilirabanga, Jean Baptiste. "A supramolecular derivatised study of BIS(Adamantan-1- Aminium) carbonate." University of the Western Cape, 2014. http://hdl.handle.net/11394/4188.

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Magister Pharmaceuticae - MPharm<br>In this study, new solid supramolecular derivatised forms of bis(adamantine-1-aminium) carbonate (ADTCO3) were prepared. ADTCO3 is a derivative of amantadine used for Parkinson’s disease and has antiviral properties against influenza-A, dengue fever and pharmacological activity towards Parkinson’s disease. The new forms prepared were polymorphic and co-crystal forms of ADTCO3. Polymorphism is a phenomenon where the ability of a substance to exist in two or more crystalline forms occurs when crystallised under different conditions and co-crystallization is th

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12

Biyikli, Kasim. "Nucleation and growth of crystals of pharmaceuticals on functionalized surfaces." Worcester, Mass. : Worcester Polytechnic Institute, 2006. http://www.wpi.edu/Pubs/ETD/Available/etd-020606-165721/.

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13

Barthe, Stephanie Cecile. "Investigation and modeling of the mechanisms involved in batch cooling crystallization and polymorphism through efficient use of the FBRM." Diss., Atlanta, Ga. : Georgia Institute of Technology, 2008. http://hdl.handle.net/1853/24752.

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Thesis (Ph.D.)--Chemical Engineering, Georgia Institute of Technology, 2009.<br>Committee Chair: Dr Rousseau, Ronald W; Committee Co-Chair: Dr Grover Gallivan, Martha; Committee Member: Dr Realff, Matthew; Committee Member: Dr Garmestani, Hamid; Committee Member: Dr Nenes, Athanasios.

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14

Zamani, Younes. "Determination of physical characteristics of food fats." Thesis, National Library of Canada = Bibliothèque nationale du Canada, 1998. http://www.collectionscanada.ca/obj/s4/f2/dsk1/tape10/PQDD_0007/MQ44324.pdf.

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15

Manso, Jalice Y. "Sensor fusion of IR, NIR, and Raman spectroscopic data for polymorph quantitation of an agrochemical compound." Access to citation, abstract and download form provided by ProQuest Information and Learning Company; downloadable PDF file, 37 p, 2009. http://proquest.umi.com/pqdweb?did=1694432951&sid=2&Fmt=2&clientId=8331&RQT=309&VName=PQD.

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16

Tailleur, Elodie. "Cristaux et polycristaux à transition de spin : relations structure-propriétés multi-échelles, multi-contraintes (T, P)." Thesis, Bordeaux, 2018. http://www.theses.fr/2018BORD0207/document.

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Une large hystérèse centrée autour de la température ambiante constitue l'un des objectifs principaux de la recherche sur les matériaux commutables fonctionnels. Dans le domaine très étudié de la conversion de spin, un tel comportement apparaît très rarement. Un nouveau composé, le complexe [Fe(PM-PeA)2(NCSe)2] présentant une large hystérèse autour de la température ambiante a été synthétisé, sous forme de monocristal et de poudre. Ce composé a été la base de deux axes de recherche. Le premier concerne l’étude multi-échelles des relations structure-propriétés en combinant la diffraction des ra

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17

Lee, Seung-Joo. "Structural and functional consequences of disease-related protein variants." Case Western Reserve University School of Graduate Studies / OhioLINK, 2010. http://rave.ohiolink.edu/etdc/view?acc_num=case1269545015.

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18

Demiroglu, Ilker. "Effect of Dimensionality and Polymorphism on the properties of ZnO." Doctoral thesis, Universitat de Barcelona, 2014. http://hdl.handle.net/10803/277286.

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Throughout this thesis, we have studied ZnO and its properties in a bottom-up manner through a dimensionality range starting from 0D nanoparticles to 3D bulk phases. For the 0D clusters and the 2D nanofilms studied we also considered the effect of a support in models designed to study ZnO thin film growth on the Ag(111) surface. In chapter 3, we have studied ZnO nanoclusters on a Ag support and compared their properties with free space ZnO nanoclusters. In this chapter we highlighted the importance of the presence of the support during the global optimization of the clusters (i.e. as oppose

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19

Nascimento, Noelle Mariane do [UNESP]. "Polimorfismo nos complexos de trietanolamina dos metais do quarto período." Universidade Estadual Paulista (UNESP), 2012. http://hdl.handle.net/11449/97914.

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Made available in DSpace on 2014-06-11T19:29:09Z (GMT). No. of bitstreams: 0 Previous issue date: 2012-08-21Bitstream added on 2014-06-13T18:58:39Z : No. of bitstreams: 1 nascimento_nm_me_araiq.pdf: 692107 bytes, checksum: 18300527e76c2d41a696df746f92f483 (MD5)<br>Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)<br>Devido a contradições presentes na literatura quanto à natureza dos complexos dos metais do quarto período da tabela periódica com o ligante tris(2-hidroxietil)amina (trietanolamina) (TEAH3), uma reinvestigação foi feita consistindo na exploração das possibilida

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Bezzon, Vinicius Danilo Nonato [UNESP]. "Definição de limites para a identificação e quantificação de polimorfos do fármaco finasterida por difração de raios X por policristais." Universidade Estadual Paulista (UNESP), 2013. http://hdl.handle.net/11449/99735.

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Made available in DSpace on 2014-06-11T19:30:20Z (GMT). No. of bitstreams: 0 Previous issue date: 2013-02-18Bitstream added on 2014-06-13T21:00:51Z : No. of bitstreams: 1 bezzon_vdn_me_bauru.pdf: 5934071 bytes, checksum: bd5d8e0bb1eb9f7d625e556c89e14940 (MD5)<br>Polimorfismo é a propriedade de moléculas cristalizarem em mais de uma forma cristalina, o que pode afetar suas propriedades físico-químicas. Esse fenômeno está presente também em fármacos, e a avaliação de matérias-primas para manter o controle do polimorfo presente em comprimidos comercializados tem um papel importante na indústria

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21

Bezzon, Vinicius Danilo Nonato. "Definição de limites para a identificação e quantificação de polimorfos do fármaco finasterida por difração de raios X por policristais /." Araraquara : [s.n.], 2013. http://hdl.handle.net/11449/99735.

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Orientador: Carlos de Oliveira Paiva Santos<br>Coorientador: Marcelo Ornaghi Orlandi<br>Banca: Selma Gutierrez Antonio<br>Banca: Humberto Gomes Ferraz<br>O Programa de Pós-Graduação em Ciência e Tecnologia de Materiais, PosMat, tem caráter institucional e integra as atividades de pesquisa em materiais de diversos campi da Unesp<br>Resumo: Polimorfismo é a propriedade de moléculas cristalizarem em mais de uma forma cristalina, o que pode afetar suas propriedades físico-químicas. Esse fenômeno está presente também em fármacos, e a avaliação de matérias-primas para manter o controle do polimorfo

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22

Nascimento, Noelle Mariane do. "Polimorfismo nos complexos de trietanolamina dos metais do quarto período /." Araraquara [s.n.], 2012. http://hdl.handle.net/11449/97914.

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Resumo: Devido a contradições presentes na literatura quanto à natureza dos complexos dos metais do quarto período da tabela periódica com o ligante tris(2-hidroxietil)amina (trietanolamina) (TEAH3), uma reinvestigação foi feita consistindo na exploração das possibilidades do ligante em formar dímeros ou até polímeros com a propriedade de polimorfismo com sais dos metais de transição Co2+ e Cu2+. Com o metal representativo Zn2+, os compostos não apresentaram a propriedade de se cristalizarem em mais de uma estrutura cristalográfica distinta. Os complexos [MCl(TEAH2)] foram preparados a partir

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23

Svärd, Michael. "Structural, Kinetic and Thermodynamic Aspects of the Crystal Polymorphism of Substituted Monocyclic Aromatic Compounds." Doctoral thesis, KTH, Teknisk strömningslära, 2011. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-33836.

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This work concerns the interrelationship between thermodynamic, kinetic and structural aspects of crystal polymorphism. It is both experimental and theoretical, and limited with respect to compounds to substituted monocyclic aromatics. Two polymorphs of the compound m-aminobenzoic acid have been experimentally isolated and characterized by ATR-FTIR spectroscopy, X-ray powder diffraction and optical microscopy. In addition, two polymorphs of the compound m-hydroxybenzoic acid have been isolated and characterized by ATR-FTIR spectroscopy, high-temperature XRPD, confocal Raman, hot-stage and scan

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24

Lee, Rachael. "Extreme conditions crystallography of polymorphic co-crystals." Thesis, Durham University, 2017. http://etheses.dur.ac.uk/12065/.

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This work has two principal sections. The first section is a study of the hydrogen bonding in a series of urea inclusion compounds, utilising neutron diffraction methods and a novel technique for growing neutron diffraction-suitable single crystals. The second section focusses on high pressure crystallography as a technique for exploring polymorphic landscapes, of a series of acid-base co-crystals, and the well-known active pharmaceutical ingredient 5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile (ROY). Single crystal neutron structures at several temperatures have been determined fo

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25

Burden, C. H. "Crystallographic studies of ion binding and polymorphism in carbohydrates." Thesis, University of Leeds, 1987. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.379650.

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26

Portell, Bueso Anna. "Crystal Engineering Studies of Squaric Acid Derivatives." Doctoral thesis, Universitat de Barcelona, 2014. http://hdl.handle.net/10803/285325.

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This thesis is a multidisciplinary study of the solid state of squaric acid derivatives which combines approaches from areas such as crystal engineering, supramolecular chemistry and crystallography. The structural preferences in the solid state of this family of compounds has been analyzed, new crystalline materials derived from squaric acid have been designed in order to study new supramolecular synthons and relevant chemical phenomena such as template effect, preorganization, cooperativity and electrostatic compression have been explored. In summary, 47 polymorphs, solvates, cocrystals

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27

Zhang, Qingfei. "Crystallographic studies of the insulin-linked polymorphic region." Thesis, Massachusetts Institute of Technology, 1997. http://hdl.handle.net/1721.1/50345.

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28

Guo, Wenbin. "Nouveaux composés à conversion de spin et polymorphisme pour une approche multi-échelle vers les hautes T(LIESST)." Thesis, Bordeaux, 2021. http://www.theses.fr/2021BORD0015.

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L'effet LIESST (Light-Induced Excited Spin-State Trapping) apparaît comme l'un des phénomènes les plus prometteurs et les plus excitants pour les dispositifs applicatifs basés sur les complexes à transition de spin (TS). Cependant, la compréhension fondamentale du LIESST doit encore être approfondie avant toute conception rationnelle. Par exemple, il est encore très difficile d'établir les relations structure-propriétés, bien que cette approche soit cruciale pour découvrir des matériaux à TS ayant une température de relaxation T(LIESST) élevée. L'objectif de ce travail est donc de comprendre c

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29

Elder, David. "Physicochemical and crystallographic investigations into the salt formation of two heterocyclic drugs." Thesis, University of Edinburgh, 1992. http://hdl.handle.net/1842/8721.

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Salt formation provides a means of altering the physicochemical and resultant biological characteristics of a drug entity without modifying its molecular structure. Many published reviews have indicated the importance of the selection of the most appropriate salt form. This work is an investigation into the salt formation of two heterocyclic drugs. This is done by the physicochemical and the crystallographic studies of 19 high resolution single crystal diffraction studies. The particular targets of the work are the selection of the most appropriate salt forms, investigations into the tautomeri

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30

Bofill, Herrera Lidia. "Estudis d'Enginyeria Cristal·lina i Polimorfisme dels compostos nutracèutics Pterostilbé, Ubiquinol i Vitamina D3." Doctoral thesis, Universitat de Barcelona, 2021. http://hdl.handle.net/10803/673939.

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La salut ha estat sempre una de les principals preocupacions de la societat, i més encara amb la situació de pandèmia actual produïda pel virus (SARS-CoV-2) s’és conscient de que portar un estil de vida amb bons hàbits alimentaris influeix directament en la salut, existint nombroses investigacions que així ho demostren. Per tant, l’adquisició de nutrients adequats juga un paper vital en el manteniment de la funció normal del cos i la prevenció de malalties, sobretot aquelles que estan relacionades amb l’envelliment (malalties cardiovasculars, neurodegeneratives, diabetis tipus II, així com div

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31

Barbas, Cañero Rafael. "Aplicacions de l’enginyeria cristal·lina al descobriment i estudi de noves formes sòlides de principis actius." Doctoral thesis, Universitat de Barcelona, 2019. http://hdl.handle.net/10803/668062.

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Aquesta tesi descriu el disseny, optimització i implementació de metodologies d’screening versàtils per a la recerca de noves formes sòlides de compostos orgànics. La certesa d’estar desenvolupant la forma sòlida d’un principi actiu més adient per a ser formulada només es pot tenir quan es realitza un estudi complert de l’estat sòlid del compost. El coneixement de quines són les diferents formes sòlides en les que pot existir un compost, de les interaccions intermoleculars que estabilitzen les seves xarxes cristalꞏlines, així com la manera d’obtenir-les i la seva caracterització són els object

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Dekhil, Myriam. "RMN cristallographique : mesure de distances internucléaires sur des échantillons de poudre par RMN du solide." Thesis, Aix-Marseille, 2016. http://www.theses.fr/2016AIXM4734.

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La mesure de couplage dipolaire permet d’accéder à la structure tridimensionnelle d’un composé solide. Cependant, en présence d’une forte densité de spins couplés, le phénomène de troncature dipolaire rend difficile l’obtention de ces informations par RMN du solide. Ce problème peut être affranchi par l’étude de spins rares en abondance naturelle. En effet, avec une abondance naturelle de 1.1 %, la probabilité que trois 13C soient couplés, et avec elle la troncature dipolaire, devient négligeable. Une méthodologie basée sur la séquence de recouplage dipolaire POST-C7 permet d’accéder à des inf

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Mnguni, Malitsatsi Jesse. "Polymorphism in pharmaceutical co-crystals." Thesis, 2017. http://hdl.handle.net/10539/22734.

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A dissertation submitted to the Faculty of Science, University of the Witwatersrand, Johannesburg, in fulfilment of the requirements for the degree of Master of Science 6 February 2017, Johannesburg.<br>Polymorphism is not only limited to single component systems. Co-crystals have exhibited polymorphism and various polymorphic co-crystals have been reported. Polymorphism in co-crystals presents an expansion of the optimization space around a pharmaceutical compound and also offers the opportunity to develop novel patentable material. Polymorphism of pharmaceutical co-crystals was investigated

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Hean, Duane. "Polymorphism and structural studies of isoniazid derivatives." Thesis, 2015. http://hdl.handle.net/10539/18526.

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A Dissertation submitted to the Faculty of Science, University of the Witwatersrand, Johannesburg, in fulfilment of the requirements for the degree of Master of Science. 21 May 2015<br>Crystal polymorphism is the capacity of a solid crystalline form to exist in more than one structural arrangement. In the pharmaceutical setting investigations into the polymorphic forms of potential drugs are of vital importance since different crystalline forms can affect bioavailability, mechanical, thermal, and chemical properties. One such example is isonicotinic acid-(1-phenylethylidene) hydrazide (IPH), a

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Rademeyer, Melanie. "Polymorphism in long-chain n-alkylammonium halides." Thesis, 2008. http://hdl.handle.net/10210/414.

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Long-chain molecules are widely used in many commercial products, including waxes, oils, fats and soaps. This study focuses on the primary n-alkylammonium chlorides that have applications as surfactants, detergents and as models for bio-membranes. The specific topic of this investigation is the polymorphism of three series of n-alkylammonium halides. Polymorphism is the ability of a substance to exist in more than one crystal form. Due to the conformational flexibility of the long alkyl chain and the forces (hydrogen bonding and van der Waals interactions) dictating the packing in these compou

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Ghezelbash, Hossein-Ali. "Topics in colloidal nanocrystals: synthesis and characterization, polymorphism, and self-assembly." Thesis, 2006. http://hdl.handle.net/2152/2485.

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Chen, Chun-Hsing. "Structure, polymorphism, and solid-state reactions of molecular crystals /." 2010.

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Thomas, Sajesh P. "Phase Behaviour in Crystalline Solids : Exploring the Structure Guiding Factors Via Polymorphism, Phase Transitions and Charge Density Studies." Thesis, 2013. http://etd.iisc.ernet.in/2005/3385.

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The thesis entitled "Phase Behaviour in Crystalline Solids: Exploring the Structure Guiding Factors via Polymorphism, Phase Transitions and Charge Density Studies" consists of five chapters divided into two parts. A basic introductory section describes the topics relevant to the work and the methods and techniques utilized. Part A contains two chapters that discuss the structural aspects related to polymorphism, solvatomorphism, conformational preferences and phase transitions exhibited by active pharmaceutical ingredients (APIs). It also discusses the structure-property correlations in API c

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Nayak, Susanta Kumar. "Disorder, Polymorphism And Co-Crystal Formation In Molecular Crystals : An In-Depth Study In Terms Of Weak Intra- And Intermolecular Interactions." Thesis, 2010. http://etd.iisc.ernet.in/handle/2005/1431.

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Three distinct aspects, disorder, polymorphism and co-crystal formation have been addressed in molecular crystals in terms of intra- and intermolecular interactions involving halogens, weak hydrogen bonds and van der Waals interactions. A basic introductory chapter highlights the importance of these three aspects followed by a foreword to the contents. Chapter 1 employs in situ cryo-crystallization techniques to study the crystal and molecular structures of compounds which are liquids at room temperature. Section 1.1 deals with the crystal structure analyses of low melting chloro- and bromo-su

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Kaur, Ramanpreet. "Structure-Function Control in Organic Co-Crystals/Salts Via Studies on Polymorphism, Phase Transitions and Stoichiometric Variants." Thesis, 2015. http://etd.iisc.ernet.in/2005/3729.

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The thesis entitled “Structure-function control in organic co-crystals/salts via studies on polymorphism, phase transitions and stoichiometric variants” consists of five chapters. The main emphasis of the thesis is on two aspects, one to characterize co-crystal polymorphism in terms of propensity of intermolecular interactions to form co-crystals/salts or eutectics. The other aspect is to explore the feasibility of using such co-crystals/salts to exhibit properties like proton conduction, dielectric and ferroelectric behaviour. Gallic acid and its analogues possess functionalities to provide

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Dubey, Ritesh. "Crystal Engineering : From Molecule To Crystal Structure Landscape." Thesis, 2015. http://etd.iisc.ernet.in/handle/2005/2654.

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Crystal engineering underlies the essence of natural affiliation between the molecule on the one side and the crystal as a supramolecular assembly on the other. Molecular recognition is the fundamental cause for this efficient transformation and if we consider the crystal as a supramolecular entity then it is not at all difficult to conceive crystallization as an outstanding example of molecular recognition. In general, organic compounds often facilitate closed packed crystal structures as described by A. I. Kitaigorodskii in the form of the close packing principle but based on chemical featur

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Dikundwar, Amol G. "Organic Fluorine in Crystal Engineering : Consequences on Molecular and Supramolecular Organization." Thesis, 2013. http://etd.iisc.ernet.in/2005/3352.

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The thesis entitled “Organic fluorine in crystal engineering: Consequences on molecular and supramolecular organization” consists of six chapters. The main theme of the thesis is to address the role of substituted fluorine atoms in altering the geometrical and electronic features in organic molecules and its subsequent consequences on crystal packing. The thesis is divided into three parts. Part I deals with compounds that are liquids under ambient conditions, crystal structures of which have been determined by the technique of in situ cryocrystallography. Part II demonstrates the utilization

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Saouane, Sofiane. "Extending the Search Space for Novel Physical Forms of Pharmaceuticals and Biomolecules using High-Pressure Techniques." Doctoral thesis, 2015. http://hdl.handle.net/11858/00-1735-0000-0028-878A-D.

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Mukherjee, Arijit. "Building Upon Supramolecular Synthons : Some Aspects of Crystal Engineering." Thesis, 2013. http://etd.iisc.ernet.in/2005/3455.

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Crystal engineering offers a rational way of analyzing crystal structures and designing new structures with properties. The supramolecular synthon concept was introduced in 1995 and has shown versatility and utility in the design of molecular solids. Chapter 1 gives a general introduction about the development of the concept of supramolecular synthons over the years which has seen a transition from synthesis to structures and dynamics. This thesis focuses on the later phase of the development of the concept of supramolecular synthons. Chapter 2 introduces the idea of structural landscape and

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Vasudev, Prema G. "X-Ray Crystallographic Studies Of Designed Peptides : Characterization Of Novel Secondary Structures Of Peptides Containing Conformationally Constrained α-, β- And γ-Amino Acids And Polymorphic Peptide Helices". Thesis, 2009. http://hdl.handle.net/2005/922.

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Structural studies of peptides are of great importance in developing novel and effective biomaterials ranging from drugs and vaccines to nano materials with industrial applications. In addition, they provide model systems to study and mimic the protein conformations. The ability to generate folded intramolecularly hydrogen bonded structures in short peptides is essential for peptide design strategies, which rely on the use of folding nuclei in the construction of secondary structure modules like helices and β-hairpins. In these approaches, conformational choices at selected positions are biase

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