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Dissertations / Theses on the topic 'Crystal engineering'

Author: Grafiati

Published: 4 June 2021

Last updated: 25 July 2025

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1

Bridgland, Lydia Naomi. "Crystal engineering of porous steroidal organic crystals." Thesis, University of Bristol, 2013. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.627972.

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Porous materials are highly valued for a wide variety of scientific and technological applications and organic molecular crystals offer an alternative to established inorganic materials. In this thesis, the porosity of tris-N-phenylureido steroidal crystals IS characterised and the versatility of the steroidal crystal system is demonstrated. Material properties can often be adjusted by mixing components in varying proportions to form alloys, but this phenomenon is rarely demonstrated for organic molecules. In organic crystals, molecules pack into an array which has symmetry and dimensions spec

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2

Ahmed, Sayima J. "Crystal engineering of pharmaceutical salts and co-crystals." Thesis, University of Reading, 2009. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.515715.

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3

Amombo, Noa Francoise Mystere. "Crystal engineering of selected phenolic acids." Thesis, Cape Peninsula University of Technology, 2014. http://hdl.handle.net/20.500.11838/734.

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Thesis submitted in fulfilment of the requirements for the degree Master of Technology: Chemistry in the Faculty of Applied Science at the CAPE PENINSULA UNIVERSITY OF TECHNOLOGY 2014<br>Crystal engineering based upon acid: base compounds have been studied in this thesis. Selected phenolic acids such as: vanillic acid (VA), phenylacetic acid (PAA), 4-hydroxyphenylacetic acid (HPAA), 3-chloro-4-hydroxyphenylacetic acid (CHPAA), caffeic acid (CFA), p-coumaric acid (pCA), trans-ferulic acid (tFER), 2-phenylpropionic acid (PPA) and 2-phenylbutyric acid (PBA) were the main compounds investigated. T

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4

Lloyd, Gareth Owen. "Crystal engineering of porosity." Thesis, Link to the online version, 2006. http://hdl.handle.net/10019/1087.

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5

Venkatasubramanian, Ulaganthan. "Crystal engineering with heteroboranes." Thesis, Heriot-Watt University, 2004. http://hdl.handle.net/10399/252.

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6

Khanal, Pitambar. "Crystal Engineering with Piperazinediones." Diss., The University of Arizona, 2016. http://hdl.handle.net/10150/612051.

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Non covalent interactions are valuable tools for crystal engineering. Hydrogen bonding often plays a central role for molecular association among possible non covalent interactions. Together with hydrogen bonding, arene-arene interactions and van der Waals interactions can control crystal assembly. Understanding non covalent interactions permits the design of molecules whose functionalities can interact non covalently so that molecules will pack in a predicted fashion. For two decades Prof. Mash's group has been studying crystal packing based on a piperazinedione core scaffold which can have t

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7

Kavuru, Padmini. "Crystal engineering of flavonoids." [Tampa, Fla] : University of South Florida, 2008. http://purl.fcla.edu/usf/dc/et/SFE0002463.

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8

Shattock, Tanise R. "Crystal engineering of co-crystals and their relevance to pharmaceutical forms." [Tampa, Fla.] : University of South Florida, 2007. http://purl.fcla.edu/usf/dc/et/SFE0002101.

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9

Griffiths, J. "Crystal engineering for nonlinear optics." Thesis, University of Cambridge, 2003. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.599722.

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Chapter Two details the design, synthesis and characterisation of some compounds of general formula <i>p</i>-DC<sub>6</sub>F<sub>4</sub>A-<i>p</i>’. Donor and acceptor groups are discussed both in the context of maximising the molecular NLO response, and in the context of the promotion of polar chain formation through supramolecular synthons. Of the ten compounds presented in this chapter, nine are noncentrosymmetric. Preliminary NLO measurements show that these nine compounds exhibit an appreciable SHG response. Semi-empirical calculations were performed on these and related systems to determ

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10

Mukherjee, Sreya. "Crystal Engineering of Pharmaceutical Cocrystals." Scholar Commons, 2011. http://scholarcommons.usf.edu/etd/3258.

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Pharmaceutical cocrystals use principles of crystal engineering for the design of crystalline forms of drugs and can improve their solubility, bioavailability, stability and other important properties without changing the efficacy of the drug. Herein reported are pharmaceutical cocrystals of two API's, caffeine and Pentoxifylline. Research has indicated that caffeine has the ability to reverse AB; plaque deposition in the brain (believed to be the primary cause of Alzheimer's pathogenesis) and thus revert memory and improve cognitive impairment. But owing to the fast absorption rate and short

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11

Hoxha, Kreshnik. "DNA bases in crystal engineering." Thesis, University of Hull, 2014. http://hydra.hull.ac.uk/resources/hull:11660.

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The work described in this thesis focuses on understanding the solid state interactions of organic molecules such as DNA nucleobases using established principles from crystal engineering and the synthon theory. Studying the intermolecular interactions is an indispensable tool to the crystal engineer when it comes to identifying functional groups which generate synthons that govern molecular recognition and self-assembly. Chapter 3 focuses on the growth and design of single crystal materials of DNA bases and their carboxylic acid derivatives with various other molecules. The aim of the chapter

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12

Aboarayes, Dalia A. "Crystal Engineering of Nutraceutical Cocrystals." Scholar Commons, 2009. https://scholarcommons.usf.edu/etd/1820.

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The work presented herein focus upon crystal engineering of nutraceutical cocrystals. Cocrystals are considered unique solid dosage form which has many advantages over other traditionally known solid forms. Furthermore, cocrystals have proven to improve stability, solubility and bioavailability of Active Pharmaceutical Ingredient (API) as shown in the case of carbamazepine and other APIs in previous studies. Crystal engineering is commonly used to design new solid forms based on the bases of supramolecular chemistry. In this study, crystal engineering based on intensive Cambridge Structural Da

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13

Elbakush, Rasha Elmheidi. "A crystal engineering study of selected sulfa drugs and trimethoprim." Thesis, University of the Western Cape, 2014. http://hdl.handle.net/11394/4651.

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Magister Pharmaceuticae - MPharm<br>The objective was to prepare new solid phases, i.e. co-crystal forms, of two sulfa antibiotic drugs (sulfamethoxazole and sulfasalazine) with trimethoprim and fourteen potential co-formers with GRAS status. Trimethoprim was chosen for its synergistic effects with both sulfa drugs and the other co-formers were selected in an attempt to improve the physicochemical properties of the antibiotics. A variety of co-crystallization techniques, including solvent assisted grinding, slow evaporation, slurry method and solidification of the melt were used to obtain thes

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14

Batchelor, E. "Acid:base Co-crystal formation in crystal engineering and supramolecular design." Thesis, University of Cambridge, 2001. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.596460.

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The chemical and physical properties of organic molecular crystals depend on both the molecular and crystal structure. The systematic approach to understanding and controlling crystal structure lies in the field of "crystal engineering". One strategy to emerge within crystal engineering has been the utilisation of specific interactions or couplings / synthons to predictably build supramolecular arrays such as tapes, ribbons or sheets. These arrays form a subset of the crystal structure. While many couplings take the form of cyclic motifs in which component interactions are of comparable streng

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15

de, Groot Joshua. "Crystal engineering with the uranyl cation and amino acids." Diss., University of Iowa, 2016. https://ir.uiowa.edu/etd/2066.

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Uranyl hybrid materials attract interest owing to promise of synthesizing functional materials, but typically experience limitations in extending dimensionality. This is due to the tendency of the uranyl cation to oligomerize along its equatorial plane, leading to the formation of flat secondary building units. One way to overcome these limitations is to utilize weak interactions to hold a structure together. This can be achieved through using ligands to build secondary building units through strong coordinative bonds that

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16

Weyna, David Rudy. "Crystal Engineering of Multiple Component Crystal Forms of Active Pharmaceutical Ingredients." Scholar Commons, 2011. http://scholarcommons.usf.edu/etd/3406.

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Enhancing the physicochemical properties of solid-state materials through crystal engineering enables optimization of these materials without covalent modification. Cocrystals have become a reliable means to generate novel crystalline forms with multiple components and they exhibit different physicochemical properties compared to the individual components. This dissertation exemplifies methodologies to generate cocrystals of active pharmaceutical ingredients (API's) based upon knowledge of supramolecular interactions (supramolecular synthons), while focusing on enhanced delivery through in vit

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17

McMahon, Jennifer Anne. "Crystal engineering of novel pharmaceutical forms." [Tampa, Fla] : University of South Florida, 2006. http://purl.fcla.edu/usf/dc/et/SFE0001792.

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18

Lusi, Matto. "Solid state reactions in crystal engineering." Thesis, University of Bristol, 2009. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.508123.

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19

Hughes, Deirdre Patricia. "Versatile building blocks in crystal engineering." Thesis, Queen's University Belfast, 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.263398.

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20

Alshgari, Razan. "Crystal engineering of palladium terpyridine complexes." Thesis, University of Nottingham, 2017. http://eprints.nottingham.ac.uk/47726/.

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The ability of 2,2':6',2"-terpyridine (terpy) to chelate to a wide variety of metal ions has led to the synthesis of different metal-terpyridine complexes. In addition, there are different synthetic strategies have been improved, allowing 2,2':6',2"-terpyridine and its derivatives to find a wide range of applications assensors and catalysts. This thesis concerns the synthesis of a series of Pd(terpy) complexes with different para- and meta-substituted pyridine ligands and their properties are studied by X-ray crystallography. In order to extend the experimental observations and the range of ap

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21

Noro, Shinichiro. "Crystal engineering of functional coordination polymers." 京都大学 (Kyoto University), 2003. http://hdl.handle.net/2433/148839.

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22

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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23

Bis, Joanna A. "Crystal engineering of organic compounds including pharmaceuticals." [Tampa, Fla] : University of South Florida, 2006. http://purl.fcla.edu/usf/dc/et/SFE0001424.

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24

Ong, Tien Teng. "Crystal Engineering of Molecular and Ionic Cocrystals." Scholar Commons, 2011. http://scholarcommons.usf.edu/etd/3270.

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Solubility enhancement of poorly-soluble active pharmaceutical ingredients (APIs) remains a scientific challenge and poses a practical issue in the pharmaceutical industry. The emergence of pharmaceutical cocrystals has contributed another dimension to the diversity of crystal forms available at the disposal of the pharmaceutical scientist. That pharmaceutical cocrystals are amenable to the design principles of crystal engineering means that the number of crystal forms offered by pharmaceutical cocrystals is potentially greater than the combined numbers of polymorphs, salts, solvates and hydra

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25

Clarke, Heather Dawn Marie. "Crystal Engineering of Multi-Component Crystal Forms: The Opportunities and Challenges in Design." Scholar Commons, 2012. http://scholarcommons.usf.edu/etd/4013.

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There is heightened interest to diversify the range of crystal forms exhibited by active pharmaceutical ingredients (APIs) in the pharmaceutical industry. The crystal form can be regarded as the Achilles' heel in the development of an API as it directly impacts the physicochemical properties, performance and safety of the API. This is of critical importance since the crystal form is the preferred method of oral drug delivery by industry and regulatory bodies. The ability to rationally design materials is a lucrative avenue towards the synthesis of functional molecular solids with customi

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26

Goswami, Pramod Kumar. "Crystal Engineering of multicomponent solidsCocrystals, Salts, Salt-cocrystals and their hydrates." Thesis, IIT Delhi, 2016. http://localhost:8080/iit/handle/2074/7101.

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27

Azabi, Y. O. "Spiral photonic crystal fibers." Thesis, City, University of London, 2017. http://openaccess.city.ac.uk/19372/.

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This thesis is concerned with the study of special types of photonic crystal fibers (spiral) and their optical properties. The work is carried out using simulation techniques to obtain the modal field profile and properties for the designs. The method used in solving the Maxwell’s equations is the full vectorial finite element method with the implementation of penalty function and perfectly matched layer. The penalty function is used to eliminate nonphysical solutions. The perfectly matched layer is integrated to absorb rays of light traveling away from the core. These rays are absorbed by the

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28

Harrington, Ross William. "Hydrogen bond directed crystal engineering of metal complexes." Thesis, University of Bath, 2002. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.393831.

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29

Nieuwenhuyzen, Mark. "Crystal engineering and polymorphism : aspects of hydrogen bonding." Thesis, Queen's University Belfast, 1999. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.301029.

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30

Silva, Benjamin M. de. "Crystal engineering of bipyridyl ligands in coordination networks." Thesis, University of Aberdeen, 2004. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.430025.

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A number of bipyridyl compounds containing amide functionalities have been prepared as bridging bipyridyl ligands in coordination networks. The bridging ability and hydrogen bond donor-acceptor functionality of these compounds in coordination networks has been explored by their inclusion in crystallisation experiments containing a single salt from a variety of <i>d</i> block metal salts, with ethanol and water as the solvent. The crystal structures of the coordination network polymers of [Cd L<sub>2</sub> (H<sub>2</sub>O)<sub>2</sub>]<sub>2/∞ </sub>2NO<sub>3</sub> (L = <i>N,N’-bis</i>(3-pyri

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31

Gillon, Amy Louise. "Structural and crystal engineering studies of metal complexes." Thesis, University of Bristol, 2001. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.340299.

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32

Tandon, Sheila (Sheila N. ). 1978. "Engineering light using large area photonic crystal devices." Thesis, Massachusetts Institute of Technology, 2005. http://hdl.handle.net/1721.1/33931.

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Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Electrical Engineering and Computer Science, 2005.<br>Includes bibliographical references.<br>Photonic crystals are fabricated structures composed of a periodic arrangement of materials with differing indices of refraction. This research has focused on the realization of two distinct photonic crystal structures in which large area has played a key role: 1) large area broadband saturable Bragg reflectors, and 2) large area 2D photonic crystal devices. Saturable Bragg reflectors (SBRs) can be used to self-start ultra-short pulse ge

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33

McKellar, Scott Campbell. "Crystal engineering approaches to solid-state pharmaceutical systems." Thesis, University of Strathclyde, 2012. http://oleg.lib.strath.ac.uk:80/R/?func=dbin-jump-full&object_id=18024.

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Control of a solid drug's physical form is an important stage of drug development, in order to best optimise the physicochemical properties of the drug. It is also important for intellectual property and regulatory considerations. Commonly, optimisation of a solid drug form moves beyond controlling the solid-state and actively manipulating it, via salt formation, co-crystal synthesis or inclusion complexation, for example. Presented in this work are three distinct approaches to the control and development of solid-state form of organic molecules and pharmaceuticals. The first of these approach

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34

Adler, Philip David Felix. "Crystalline cheminformatics : big data approaches to crystal engineering." Thesis, University of Southampton, 2015. https://eprints.soton.ac.uk/410940/.

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Statistical approaches to chemistry, under the umbrella of cheminformatics, are now widespread - in particular as a part of quantitative activity structure relationship and quantitative property structure relationship studies on candidate pharmaceutical studies. Using such approaches on legacy data has widely been termed “taking a big data approach”, and finds ready application in cohort medicinal studies and psychological studies. Crystallography is a field ripe for these approaches, owing in no small part to its history as a field which, by necessity, adopted digital technologies relatively

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35

Tahier, Tayyibah. "Crystal engineering of mixed-ligand metal-organic frameworks." Master's thesis, University of Cape Town, 2016. http://hdl.handle.net/11427/22913.

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Research of solid state complexes has grown and developed exponentially over the past few years in terms of supramolecular chemistry and crystal engineering. The synthesis and characterisation of metal organic frameworks (MOFs) have attracted widespread attention owing to their potential in various applications. This includes gas sorption, which could aid in alleviating serious environmental issues such as global warming by sequestrating greenhouse gases. Advances in the design of these materials using the mixed ligand approach add to variation in structures and thus provide a further me

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36

Jadav, Niten B. "Novel Technology for Crystal Engineering of Pharmaceutical Solids." Thesis, University of Bradford, 2018. http://hdl.handle.net/10454/18177.

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The research work described in this thesis, the environmentally friendly novel "Microwave Assisted Sub-Critical water (MASCW)" technology for particle engineering of active pharmaceutical ingredients and excipients was developed. The present novel technology MASCW process is described as green technology as water is used as the solvent medium and microwave energy as external source of heat energy for generation of a particle with different morphological and chemical properties. In MASCW process supersaturated solution of APIs is prepared by dissolving solute in water at high tempe

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37

Morales, Leslie Ann. "Crystal Engineering of Binary Compounds Containing Pharmaceutical Molecules." [Tampa, Fla.] : University of South Florida, 2003. http://purl.fcla.edu/fcla/etd/SFE0000166.

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38

Lu, Jianjiang. "Crystal engineering of metal-carboxylate based coordination polymers." [Tampa, Fla.] : University of South Florida, 2004. http://purl.fcla.edu/fcla/etd/SFE0000361.

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39

Kershaw, Cook Laurence Jonas. "Crystal engineering and bifunctionality in spin-crossover materials." Thesis, University of Leeds, 2014. http://etheses.whiterose.ac.uk/7760/.

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This thesis focuses on crystal engineering metal salts of 2,2’:6’,2’’-terpyridine and 2,6-di(pyrazol-1’-yl)pyridine to tune and better understand the cooperative spin crossover in the solid state and incorporation of a second functionality towards bifunctional spin crossover materials. Chapter 1 can be considered an introduction to the phenomenon of spin crossover in first row transition metal complexes and outlines its discovery, recent developments and progression towards real-world application. Chaper 2 is a discussion of the methodology of synthetic efforts undertaken in the acquisition of

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40

Paisner, Kathryn A. 1983. "Crystal Engineering with Thioureas: A Structure-Based Inquiry." Thesis, University of Oregon, 2011. http://hdl.handle.net/1794/11583.

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xviii, 724 p. : ill. (some col.)<br>Structural trends applicable to crystal engineering were studied in three classes of thiourea-based compounds. The aim of the study was to identify, predict, and ultimately design reliable single-molecule structural features, which could then be used to engineer crystals with desirable properties. In one class of compounds, this goal was achieved: N-alkyl and N-aryl derivatives of N,N'-bis(3-thioureidopropyl)piperazine adopted an identical conformation in the solid state, which resulted in near-identical crystal packing. A second class of closely related com

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41

Pfrunder, Michael Craig. "Halogen bond mediated crystal engineering of metal complexes." Thesis, Queensland University of Technology, 2014. https://eprints.qut.edu.au/71083/1/Michael_Pfrunder_Thesis.pdf.

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This project explored the potential for halogen bonds to predictably organise metal-containing molecular building blocks in crystalline materials. A novel method for the halogen bond mediated crystal engineering of metal complexes was discovered, which led to the preparation of new materials with potential applications in molecular switching devices and advanced memory storage systems.

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42

Hurley, Evan Patrick. "A crystal engineering approach for the design of multicomponent crystals and assembly of nano-scale architectures." Diss., Kansas State University, 2013. http://hdl.handle.net/2097/16004.

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Doctor of Philosophy<br>Department of Chemistry<br>Christer B. Aakeroy<br>The work presented in this thesis has demonstrated that supramolecular synthons can be used to make multicomponent crystals, and various synthons can be combined to make supermolecules. The synthons can also be used to construct nanoscale assemblies. Molecules containing single and multiple hydrogen-bond (HB) and halogen-bond (XB) acceptor sites have been synthesized in an effort to carry out supramolecular synthesis in order to establish a reliable hierarchy for intermolecular interactions. Pyrazole-based molecules hav

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43

Kothari, Manish. "Rate independent crystal plasticity." Thesis, Massachusetts Institute of Technology, 1995. http://hdl.handle.net/1721.1/36611.

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44

Urbina, Joaquin Francis. "Design, syntheses, and crystal engineering of versatile supramolecular reagents." Diss., Manhattan, Kan. : Kansas State University, 2005. http://hdl.handle.net/2097/83.

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45

Dolomanov, Oleg V. "Crystal engineering of supramolecular architectures using poly-pyridyl ligands." Thesis, University of Nottingham, 2004. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.408452.

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46

Bansode, Ratnadeep Vitthal. "Functional ionic liquids in crystal engineering and drug delivery." Thesis, University of Bradford, 2016. http://hdl.handle.net/10454/14563.

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The objective of this research is to explore the use of ionic liquds in crystal engineering and drug delivery. Ionic liquids have a wide range of applications in pharmaceutical field due to their unique physicochemical propertie ssuch as chemical, thermal stability, low melting point, nonvolatility, nonflamability, low toxicity and recyclability which offer unique and interesting potential for pharmaceuitcal applications. Currently, many research groups are working on the development of ionic liquids to use in this field but there is need to develop systematic understanding about new technique

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47

Lee, Myongsoo. "Molecular engineering of liquid crystal polymers by living polymerization." Case Western Reserve University School of Graduate Studies / OhioLINK, 1992. http://rave.ohiolink.edu/etdc/view?acc_num=case1060091978.

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48

Butterhof, Christian [Verfasser], and Josef [Akademischer Betreuer] Breu. "Crystal Engineering molekularer Festkörper / Christian Butterhof. Betreuer: Josef Breu." Bayreuth : Universität Bayreuth, 2014. http://d-nb.info/1059907917/34.

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Bansode, Ratnadeep V. "Functional ionic liquids in crystal engineering and drug delivery." Thesis, University of Bradford, 2016. http://hdl.handle.net/10454/14563.

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The objective of this research is to explore the use of ionic liquds in crystal engineering and drug delivery. Ionic liquids have a wide range of applications in pharmaceutical field due to their unique physicochemical propertie ssuch as chemical, thermal stability, low melting point, nonvolatility, nonflamability, low toxicity and recyclability which offer unique and interesting potential for pharmaceuitcal applications. Currently, many research groups are working on the development of ionic liquids to use in this field but there is need to develop systematic understanding about new technique

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50

Applegarth, Lucas M. S. G. A. "Towards engineering and understanding of guest host interaction between dopants and liquid crystals in liquid crystal displays." Thesis, Durham University, 2010. http://etheses.dur.ac.uk/169/.

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Liquid crystal displays are intricate devices which consist of many cells that are filled with liquid crystal hosts. The operation of the liquid crystal cell is to modulate the polarisation of light, by varying their birefringence, which in turn can be used to control the intensity of light and colour as a function of time. Many individual cells grouped together can be controlled to give specific intensity of light and colour, to build up images that are viewed on displays, i.e. pictures on TV’s. The properties of the liquid crystalline material used in a cell dictate the performance of the de

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