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PROPOSED BIOMEDICAL APPLICATIONS OF ZIRCONIUM-BASED METAL-ORGANIC FRAMEWORKS AS DRUG DELIVERY SYSTEMS
Title
PROPOSED BIOMEDICAL APPLICATIONS OF ZIRCONIUM-BASED METAL-ORGANIC FRAMEWORKS AS DRUG DELIVERY SYSTEMS.
Creator
Perry-Mills, Ariel Margaret, Uribe-Romo, Fernando, Borgon, Robert, University of Central Florida
Abstract / Description
Metal-organic frameworks (MOFs) are a class of highly crystalline nanoporous materials that self-assemble from inorganic metal oxide clusters and multitopic organic linkers. MOFs can be altered in terms of the types of metals and structures of organic linkers used, allowing for a high degree of customization and manipulation of the synergistic chemical or physical properties that arise from the precise coordination of their molecular components, including exceptionally large surface area and...
Show moreMetal-organic frameworks (MOFs) are a class of highly crystalline nanoporous materials that self-assemble from inorganic metal oxide clusters and multitopic organic linkers. MOFs can be altered in terms of the types of metals and structures of organic linkers used, allowing for a high degree of customization and manipulation of the synergistic chemical or physical properties that arise from the precise coordination of their molecular components, including exceptionally large surface area and pore size. Zirconium-based MOFs, called UiOs in honor of their conception at the University of Oslo, also show remarkable chemical stability in both acidic and basic environments, making them excellent candidates for biomedical applications as drug delivery systems, where they can either function as molecular cargo ships, with drugs packed into their pores, or as controlled release systems, in which drug molecules are directly attached to their ligands for precise delivery. The objective of this work is to prepare water-stable MOFs whose linkers are decorated with functional groups that have potential compatibility in drug delivery systems and to explore the efficacy of certain synthesis conditions in terms of the crystallinity of the MOF product. Thus, we hope to establish a basis for the ligation of anticancer drugs and fluorescent tags to MOFs for their controlled release at a specified location within the body. These targeted release mechanisms represent new therapeutic possibilities in terms of cancer treatment as their specificity would mitigate damage to healthy tissues, thereby addressing one of the greatest weakness of present treatment options.
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Date Issued
2019
Identifier
CFH2000531, ucf:45634
Format
Document (PDF)
PURL
http://purl.flvc.org/ucf/fd/CFH2000531
Mechanical Properties of Brittle Ceramics: Case Study of Boron Rich Ceramics and Acropora cervicornis Coral Skeleton
Title
Mechanical Properties of Brittle Ceramics: Case Study of Boron Rich Ceramics and Acropora cervicornis Coral Skeleton.
Creator
Carrasco-Pena, Alejandro, Kwok, Kawai, Orlovskaya, Nina, Gou, Jihua, Uribe Romo, Fernando, University of Central Florida
Abstract / Description
Ceramics are ubiquitous in man-made and natural structures. Their mechanical properties highly depend on their composition, microstructure and level of defects in the bulk of the material, the latter affecting the integrity of the components; such is the case of boron-rich ceramics where large agglomerates create high stressed regions, or coral skeleton where porosity determines their strength against hydrodynamic forces present in the ocean tides. Therefore, studying the properties of...
Show moreCeramics are ubiquitous in man-made and natural structures. Their mechanical properties highly depend on their composition, microstructure and level of defects in the bulk of the material, the latter affecting the integrity of the components; such is the case of boron-rich ceramics where large agglomerates create high stressed regions, or coral skeleton where porosity determines their strength against hydrodynamic forces present in the ocean tides. Therefore, studying the properties of ceramic materials using invasive and non-invasive methods helps in the understanding of the link between the properties and the performance of the structures. The aim of this research was to test the novel ceramic component ZrB2-30wt%SiB6 and Acropora cervicornis coral skeleton using non-conventional techniques that allow for the study of their mechanical properties and their behavior when exposed to external loads present in their environments of application. The first part of this study focuses on understanding the effects of adding SiB6 to enhance the mechanical properties of ZrB2 ceramics for their ultra-high temperature use. The second part will emphasize in the behavior of Acropora cervicornis coral skeleton when exposed to compressive forces and the effects porosity has on this structure when subjected to such loads. It was found that the SiB6 phase was not stable after sintering of the composite and large agglomerates were present in the surface of the material acting as stress concentrators, thus compromising the biaxial strength of the component that resulted to be 224.9 MPa. It was also found that coral skeletons are highly susceptible to porosity which creates variability on the elastic modulus ranging from 60-1 GPa for simulated porosity of 0-90% respectively and a strength of 3.56 (&)#177; 0.31 GPa obtained through Vickers indentation. Finite element models were developed and validated against experimental results for the ZrB2-30wt%SiB6 and Acropora cervicornis coral skeleton.
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Date Issued
2019
Identifier
CFE0007440, ucf:52696
Format
Document (PDF)
PURL
http://purl.flvc.org/ucf/fd/CFE0007440
Tuning chemical and optical properties of nanomaterials: From extended surfaces to finite nanoclusters
Title
Tuning chemical and optical properties of nanomaterials: From extended surfaces to finite nanoclusters.
Creator
Hooshmand Gharehbagh, Zahra, Rahman, Talat, Kara, Abdelkader, Kaden, William, Uribe Romo, Fernando, University of Central Florida
Abstract / Description
Modifying the electronic and optical properties of surfaces and nanostructures are in the forefront of surface science. This dissertation's focus is on this problem. The first part is on the adsorption of functionalized naphthalene molecules on Cu(111) surface. The results show that changing the functional group results in modification of charge redistribution at the interface of molecule and surface and the electronic structure of Cu changes. The second part discusses the new Moir(&)#233;...
Show moreModifying the electronic and optical properties of surfaces and nanostructures are in the forefront of surface science. This dissertation's focus is on this problem. The first part is on the adsorption of functionalized naphthalene molecules on Cu(111) surface. The results show that changing the functional group results in modification of charge redistribution at the interface of molecule and surface and the electronic structure of Cu changes. The second part discusses the new Moir(&)#233; structure of h-BN on Rh(111) induced by intrinsic carbon impurities of Rh single crystals. We found that these impurities intercalate between h-BN and Rh(111) with new local properties such as charge transfer from Rh and C atoms to h-BN such as appearance of new states in the BN. The third part is about the study of CO super lattice structure at 1/2ML when adsorbed on Pd(111). By considering all the possible overlayer structures and using several different functionals, we found that two structures can be made by CO adsorbents and all the other structures convert to one of these two. The fourth part is on the electronic and optical properties of ligated Ag44 nanoclusters. Using DFT and TDDFT calculations we show that when the pH level of a solvent is changed, the protecting ligands deprotonate and their interaction with each other as well as the metal core varies and the new peaks in absorption spectrum arise from electron rich deprotonated ligands. The final part is on the adsorption of planar molecules on MoS2. We found that the isomers of di-iodobenzene adsorb with same strength on MoS2 and it is the symmetry of frontier orbitals that identifies their different behavior. Also the adsorption and dissociation of benzenethiol on MoS2 was studied and the results show that benzenethiol dissociates only in the presence of defects and heals the structure.
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Date Issued
2018
Identifier
CFE0007337, ucf:52138
Format
Document (PDF)
PURL
http://purl.flvc.org/ucf/fd/CFE0007337
Design, Synthesis, Stability, and Photocatalytic Studies of Sustainable Metal-Organic Frameworks
Title
Design, Synthesis, Stability, and Photocatalytic Studies of Sustainable Metal-Organic Frameworks.
Creator
Logan, Matthew, Uribe Romo, Fernando, Zhai, Lei, Yuan, Yu, Kuebler, Stephen, Rahman, Talat, University of Central Florida
Abstract / Description
The presented dissertation focuses on the design, synthesis, and characterization of metal-organic frameworks (MOFs) composed of earth-abundant elements the exhibit photoredox activity and studied their application as heterogeneous photocatalysts in organic synthesis and in solar-to-chemical energy conversion. In particular, the structure-property relationships of titanium-based MOFs relating the structure of the organic building unit and the photophysical and photochemical activity of the...
Show moreThe presented dissertation focuses on the design, synthesis, and characterization of metal-organic frameworks (MOFs) composed of earth-abundant elements the exhibit photoredox activity and studied their application as heterogeneous photocatalysts in organic synthesis and in solar-to-chemical energy conversion. In particular, the structure-property relationships of titanium-based MOFs relating the structure of the organic building unit and the photophysical and photochemical activity of the solid material is studied. The first novel family of seven MOFs isoreticular to MIL-125-NH2, includes functionalized with N-alkyl groups with increasing chain length (methyl to heptyl) and with varying connectivity (primary or secondary). The functionalized materials displayed reduced optical bandgaps correlated with the increased inductive donor ability of the alkyl substituents, enhanced excited-state lifetimes, mechanistic information towards visible light CO2 reduction, and improved water stability. The second family of titanium MOFs was prepared with a new secondary building unit and organic links of varying lengths, for which Their crystal structure was solved utilizing powder X-ray diffraction crystallography. This work provides guidelines for the next generation of photocatalyst for the conversion of solar-to-chemical energy and other organic transformations.
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Date Issued
2018
Identifier
CFE0007219, ucf:52217
Format
Document (PDF)
PURL
http://purl.flvc.org/ucf/fd/CFE0007219
Development of a nano-sensing approach and a portable prototype for real-time detection and quantification of free mercury in stream-flow: combining science and engineering in pro of the environment
Title
Development of a nano-sensing approach and a portable prototype for real-time detection and quantification of free mercury in stream-flow: combining science and engineering in pro of the environment.
Creator
Chemnasiri, Warinya, Hernandez, Florencio, Kuebler, Stephen, Zou, Shengli, Uribe Romo, Fernando, Huo, Qun, University of Central Florida
Abstract / Description
Mercury (Hg) is a well-known hazardous environmental contaminant existing in several forms, but all are toxic to human in one way or the others. Since Hg usually settles into water polluting the environment and accumulating in living organisms, it is crucial to monitor Hg levels in the aquatic ecosystem. Although there are many well established techniques currently used to detect Hg, most of them require elaborate and time-consuming sample preparation and pre-concentration procedures, as well...
Show moreMercury (Hg) is a well-known hazardous environmental contaminant existing in several forms, but all are toxic to human in one way or the others. Since Hg usually settles into water polluting the environment and accumulating in living organisms, it is crucial to monitor Hg levels in the aquatic ecosystem. Although there are many well established techniques currently used to detect Hg, most of them require elaborate and time-consuming sample preparation and pre-concentration procedures, as well as costly and bulky equipment that limit their practical application in the field. In order to overcome the existent limitations in Hg determination methods, Hernandez and co-workers proposed the first surface Plasmon resonance (SPR) (-) based Hg sensor using gold nanorods (AuNRs) that offers high sensitivity and selectivity, attributed to the strong affinity between Au and Hg. In this dissertation, I first present my contribution to the understanding of the effect of size and aspect ratio of AuNRs on the limit of detection (LOD) and the dynamic range (DR) of the SPR-based Hg sensor using the qualitative model. In this part I demonstrate how both sensitivity and DR can be improved simultaneously via a modified wet chemistry procedure. Then, I show our approach towards the immobilization of AuNRs silane coated glass slides to expand the application of the SPR-based Hg sensor to stream-flow. Finally, I present the design and fabrication of the first real prototype of the SPR-based Hg sensor, and its application in stream-flow detection and speciation of mercury in the environment. The outcomes of my research have resulted in an innovative real-time portable Hg sensor apparatus with the desired high sensitivity, selectivity and DR to be used in stream-flow applications in Oak Ridge National Labs sites.
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Date Issued
2015
Identifier
CFE0006283, ucf:51589
Format
Document (PDF)
PURL
http://purl.flvc.org/ucf/fd/CFE0006283
Structure-Property Relationship of the Two-Photon Circular Dichroism of Compounds with Axial and Helical Chirality
Title
Structure-Property Relationship of the Two-Photon Circular Dichroism of Compounds with Axial and Helical Chirality.
Creator
Diaz, Carlos, Hernandez, Florencio, Uribe Romo, Fernando, Kuebler, Stephen, Masunov, Artem, Del Barco, Enrique, University of Central Florida
Abstract / Description
Back in 1894 Lord Kelvin coined the term (")chiral(") in order to refer to molecules whose mirror images were not superimposable with themselves. Over the years, research has demonstrated the important role that chiral molecules play in life, chemistry, and biology as well as their importance in the development of new drugs and technologies.The efforts to understand chiral systems have been mainly driven by spectroscopic methods that leverage on the opposite responses that enantiomers have to...
Show moreBack in 1894 Lord Kelvin coined the term (")chiral(") in order to refer to molecules whose mirror images were not superimposable with themselves. Over the years, research has demonstrated the important role that chiral molecules play in life, chemistry, and biology as well as their importance in the development of new drugs and technologies.The efforts to understand chiral systems have been mainly driven by spectroscopic methods that leverage on the opposite responses that enantiomers have to linear or circularly polarized light of both handedness. More specifically, Electronic Circular Dichroism (ECD) which measures the differences in linear absorption of left and right circularly polarized light has been the method par excellence for the spectroscopic characterization of chiral compounds. Unfortunately, the fact that ECD is based on linear absorption severely limits the use of this method in the near to far UV region. This is mainly due to the interferences generated by the strong linear absorption of common organic solvents and buffers in this portion of the light spectrum. Nevertheless, the fact remains that many chiral biomolecules of interest related to deceases like Alzheimer and Parkinson, exhibit most of their linear absorption in the near to far UV region where ECD cannot be employed for their study. Therefore, it has become an urgent necessity to develop spectroscopic methods to study chiral molecules that can circumvent the limitations of ECD at shorter wavelengths. In order to overcome the existent limitations in linear chiral spectroscopy, the nonlinear equivalent of ECD arises as a promising alternative, i.e. Two-Photon Circular Dichroism (TPCD). Although, this phenomenon was theoretically predicted in 1975, it was not until 2008, with the introduction of the double-L scan, that a reliable and versatile method for the measurement of TPCD was introduced. The high sensitivity of this method is based on the use of (")twin(") pulses that allow accounting for fluctuations in the excitation source that prevented the experimental realization of the measurement. The first measurement of a full TPCD spectrum was performed on BINOL enantiomers and the results were supported and discussed with the help of theoretical calculations. After that seminal work, we embarked in expanding the understanding of the structure-property relationship of TPCD by performing, systematically, a series of theoretical-experimental studies in chiral biaryl derivatives and compounds with helical chirality.In Chapter 2 we present the theoretical-experimental study of the effect of the ?-electron delocalization curvature on the TPCD of molecules with axial chirality. The targeted molecules for this part of our investigation were S-BINOL, S-VANOL, and S-VAPOL. Our findings revealed that an increase in the TPCD signal, within this series of compounds, was related to the curvature of the ?(-)electron delocalization. The contributions of the different transition moments to the two-photon rotatory strength support our outcomes. Then, in Chapter 3 we introduce the development of the Fragment-Recombination Approach (FRA) for the calculation of the TPCD spectra of large molecules. This simple but powerful method is based on the additivity of the TPCD signal, and is subject to a strict conditional fragmentation approach. FRA-TPCD is demonstrated, theoretically, in two hypothetical molecular systems from the biaryl derivatives family. Afterward, in Chapter 4 we show the first experimental demonstration of FRA-TPCD through the conformational analysis of an axially-chiral Salen ligand in solution (AXF-155). The FRA-TPCD spectra calculated for the different isomers of AXF-155 allowed narrowing the number of possible isomers of this complex molecule in THF solution to only two. This represents a significant improvement from previously reported results using ECD. Subsequently, in Chapter 5 we present the study of the effect of intramolecular charge transfer (ICT) in S-BINAP, an axially dissymmetric diphosphine ligand with strong ICT. The evaluation of the performance of two different exchange-correlation functional (XCF) confirmed that in order to properly predict the theoretical TPCD spectrum of a molecule exhibiting strong ICT, it is required to use an XCF such as CAM-B3LYP. In addition, our findings revealed the importance of considering an adequate number of excited states in order to be able to fully reproduce the experimental TPCD spectrum, thus avoiding wrong assignments of theoretical transitions to experimental spectral features. Finally, and expanding on our previous study, in Chapter 6 we investigated the effect of the nature of ICT on two hexahelicene derivatives. Our investigation demonstrated that the TPCD signal of chiral molecules with strong ICT does not only depend on the strength of this effect but on its nature, i.e. extension of the ?(-)electronic delocalization increasing beyond (EXO-ICT) or within (ENDO-ICT) the helicene core. In summary, with the results presented in this thesis we closed a first loop in the understanding of the structure-property relationship of TPCD. In the future, we expect to deepen in our knowledge of the structure-property relationship of this phenomenon by studying further helicene derivatives with donor-acceptor motif, and through the application of FRA-TPCD to the conformational analysis of amino acids in peptides. We foresee numerous applications of TPCD for the study of optically active molecules with implications in biology, medicine, and the drug and food industry, and applications in nanotechnology, asymmetric catalysis and photonics.
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Date Issued
2015
Identifier
CFE0005787, ucf:50067
Format
Document (PDF)
PURL
http://purl.flvc.org/ucf/fd/CFE0005787