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Articles 3991 - 4020 of 33383
Full-Text Articles in Chemistry
Design Of A Hyperstable Endocrine Acting Fibroblast Growth Factot, Sara Armstrong
Design Of A Hyperstable Endocrine Acting Fibroblast Growth Factot, Sara Armstrong
Chemistry & Biochemistry Undergraduate Honors Theses
A novel chimera protein, consisting of the C-terminus of Fibroblast Growth Factor (FGF) 21 and super FGF1, a mutant of the wild-type FGF1, was studied. The protein retained the stability of sFGF1 and the endocrine acting behaviors and binding efficiency of FGF21, so that it could be more practical for therapeutic uses as a wound healing and angiogenic agent. sFGF1- FGF21 was expressed and purified before utilizing various biophysical techniques to measure its stability, secondary and tertiary characteristics, and metabolic activity.
Detection Of Nitrogen Dioxide Via Graphene-Enhanced Raman Scattering, Spencer Hazeslip
Detection Of Nitrogen Dioxide Via Graphene-Enhanced Raman Scattering, Spencer Hazeslip
Chemistry & Biochemistry Undergraduate Honors Theses
This paper presents the development of a nitrogen dioxide (NO2) sensor that utilizes the phenomenon of graphene-enhanced Raman scattering (GERS). The sensor consists of monolayer graphene on a silicon wafer, functionalized noncovalently with Copper(II) 2,9,16,23-tetra-tert-butyl-29H,31H-phthalocyanine (CuTTPc) via the solution soaking method. A custom sensing chamber was constructed to enable Raman spectra to be collected during NO2 exposure. The response of the sensor was found to be linear between 10 and 100 ppm NO2, indicating that it could be used for both detection and quantification. Furthermore, the sensor was shown to be reusable after …
Low-Cost Microstereolithography 3d Printing With Microfluidic Microsampling Applications, Lauren Twombly
Low-Cost Microstereolithography 3d Printing With Microfluidic Microsampling Applications, Lauren Twombly
Chemistry & Biochemistry Undergraduate Honors Theses
The growing field of stereolithography 3D printing has welcomed a new age ofmicrofluidic device fabrication techniques. When compared to previous planar fabrication techniques such as soft-lithography, stereolithography 3D printing offers highly automated procedures, reduced fabrication times, and greater complexity of device features. To date, the greatest tradeoff for 3D printing in microfluidic device fabrication is poorer resolution when compared to soft-lithography which can produce feature sizes on the nanometer scale. The poorer resolution of 3D printing limits the feasible size of features. While highly sophisticated 3D printers are capable of achieving sub 10 μm resolution, these instruments are incredibly expensive …
Relative Reactivity Of Six Amino Acids With Sodium Hypochlorite Measured By Gas Chromatography/ Mass Spectrometry And Methyl Chloroformate Derivatization., Josephine Wangui Gitau
Relative Reactivity Of Six Amino Acids With Sodium Hypochlorite Measured By Gas Chromatography/ Mass Spectrometry And Methyl Chloroformate Derivatization., Josephine Wangui Gitau
Electronic Theses, Projects, and Dissertations
There are 20 common amino acids that act as building blocks for proteins and each one of them differ from each other due to their chemical structure of the R group. During the process of chlorination of water and wastewaters, amino acids present have been implicated as precursors of disinfection by-products. For the analysis of amino acids Gas Chromatography/Mass Spectrometry (GC/MS) is widely used. In this research six amino acids (glycine, valine, leucine, isoleucine, methionine, and phenylalanine) were derivatized with Methyl Chloroformate and analyzed using Gas Chromatography/Mass Spectrometry without heating. The main aim of this study was to observe the …
Dual Crosslinked Poly(Acrylamide-Co-N-Vinylpyrrolidone) Microspheres With Re-Crosslinking Ability For Fossil Energy Recovery, Jingyang Pu, Baojun Bai, Jiaming Geng, Na Zhang, Thomas P. Schuman
Dual Crosslinked Poly(Acrylamide-Co-N-Vinylpyrrolidone) Microspheres With Re-Crosslinking Ability For Fossil Energy Recovery, Jingyang Pu, Baojun Bai, Jiaming Geng, Na Zhang, Thomas P. Schuman
Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works
Microspheres have been proposed to be applied in controlling wastewater production for mature oilfields and migrating leakage for gas and nuclear waste storage. However, it remains challenging for stacked microspheres to maintain strong blocking ability in micron-sized small pores or fractures. In this study, a novel microsphere was developed with comprehensive properties including high deformability and long re-crosslinking time upon tunable swelling ratio for the applications. A dual covalent and physical crosslinking strategy was used to develop novel microspheres reinforced by a hydrogen bond (H-bond, between pyrrole ring and amide group) and coordination bond (between chromium acetate (CrAc) and carboxyl …
Determination Of Cadmium Uptake In Crassostrea Virginica Shell Under Controlled Conditions, Joseph John Pavelites Ii
Determination Of Cadmium Uptake In Crassostrea Virginica Shell Under Controlled Conditions, Joseph John Pavelites Ii
Graduate Theses and Dissertations (2019 - present)
The objective of this thesis was to meet growing demand for the development of environmental biomonitors that protect ecosystems and public health. To do this, I determined the potential of oyster shell as a bioindicator of cadmium (Cd) in the environment by determining the mode of Cd uptake and relationships between Cd concentrations in the environment, shell, and soft tissues of juvenile eastern oysters (Crassostrea virginica Gmelin). I performed a review of the literature on the ability of oyster shell to retain metal contaminants and the factors that could affect this process (Chapter 2). I then reared C. virginica …
A Study Of Gold Nanoparticles Of Different Sizes With Raman Labels For Surface Enhanced Raman Spectroscopic Detection, Melissa M. Hader
A Study Of Gold Nanoparticles Of Different Sizes With Raman Labels For Surface Enhanced Raman Spectroscopic Detection, Melissa M. Hader
Undergraduate Honors Theses
According to the Center for Disease Control and Prevention, the second leading cause of death in the United States is cancer, with 602,350 cancer deaths in 2020. With the current cancer detection techniques, the detection of cancer is often at a stage when the cancer has progressed to dangerous levels. Therefore, being able to detect cancer at its early stages is pivotal and can be life altering for millions. Gold nanoparticles (AuNPs) have been widely explored in developing surface-enhanced Raman scattering (SERS) techniques for early detection of cancer biomarkers. Using gold nanoparticles conjugated with Raman reporter molecules, SERS is a …
Synthesis And Characterization Of Nanocomposite Sensing Films For Breath Sensors, Tara Mercer
Synthesis And Characterization Of Nanocomposite Sensing Films For Breath Sensors, Tara Mercer
Undergraduate Honors Theses
Lung cancer is one of the most common and fatal cancers today, infecting 1 in 16 people, and killing well over a million patients per year. Currently, lung cancer is detected usually in stages three and four by quite costly and invasive methods, which shows only a survival rate of 10%. Breath sensors provide a low-cost and non-invasive technique for early screening of lung cancer. The breath sensors use assemblies of gold nanoparticles to identify lung cancer, specifically by identifying and quantifying specific volatile organic compound (VOC) concentrations found in the breath of lung cancer patients. This thesis describes a …
Carbon Dioxide Reduction On Large Area Liquid Metal Gallium-Indium Electrocatalysts, Thomas Hollis
Carbon Dioxide Reduction On Large Area Liquid Metal Gallium-Indium Electrocatalysts, Thomas Hollis
Chemistry & Biochemistry Undergraduate Honors Theses
Carbon dioxide (CO2) is widely known as a greenhouse gas that contributes to global warming due to the burning of fossil fuels. The carbon dioxide reduction reaction (CO2RR) is widely studied to reutilize CO2 to useful products, including methane, ethane, and carbon monoxide. This project studies the use of liquid metal gallium-indium as an electrocatalyst to perform CO2 reduction to carbon monoxide (CO) or possibly solid carbon in various solutions. Gallium-indium is characterized and studied through its “wetting” properties and adhesion to substrate foil through the measurement of contact angles inside solution. These liquid …
Developing Methods For Pattern Transfer In Photoelectrochemical Lithography, Ashlyn Descarpentrie
Developing Methods For Pattern Transfer In Photoelectrochemical Lithography, Ashlyn Descarpentrie
Chemistry & Biochemistry Undergraduate Honors Theses
The microprocessor industry has historically been driven by the goal of shrinking devices. To create features small enough to fit on such devices, photolithography has conventionally been used in the micropatterning of noble metal surfaces. Photolithography is a complicated and expensive process that involves a cleanroom, metallization processes, and photoresist. While this investment makes sense for high revenue applications, a number of microelectronic devices do not require nanometer-scale patterned features. Examples of such applications include specific types of antennae, sensing electrodes, and photocatalysts. Photolithography for these devices is thus too costly in both money and energy. The Coridan lab has …
Microwave Synthesis Of Carbon Dot Nanoparticles, Hayden Ferguson
Microwave Synthesis Of Carbon Dot Nanoparticles, Hayden Ferguson
Undergraduate Honors Theses
This study aimed to improve the known microwave method to produce carbon dot nanoparticles from ethylenediamine and citric acid. Carbon dots have recently gained much attention as they have diverse applications, such as bioimaging and drug delivery reagents as cancer theranostics. Research was focused on establishing the ideal time for the synthetic reaction to produce carbon dot nanoparticles with the microwave method. After several trials, the 16-minute trial provided the best results based on Fourier transform infrared spectroscopy, ultraviolet-visible spectroscopy, fluorescence spectroscopy, and ultraviolet exposure.
Separation Of Organic Acids Through Direct Catalysis From Sugars, Katelyn Robinson
Separation Of Organic Acids Through Direct Catalysis From Sugars, Katelyn Robinson
Chemical Engineering Undergraduate Honors Theses
Society relies on plastic products, whether they are single use or durable. A downside of plastic is that the most common type is a product of oil and oil is not only a limited resource but also a climate-damaging resource. Polylactic acid (PLA) is a bio-based, biodegradable plastic. However, the process of converting biomass to polylactic acid polymer has the largest environmental impact of the PLA production process, so alternative methods of conversion are needed (Moretti et al., 2021). The polylactic acid polymer can be made with lactic acid, which can be converted from glucose.
Developing And Applying Computational Methods On Biomolecules, Shengjie Sun
Developing And Applying Computational Methods On Biomolecules, Shengjie Sun
Open Access Theses & Dissertations
Computational biophysics is an interdisciplinary subject that uses numerical algorithms to study the physical principles underlying biological phenomena and processes. Electrostatic interactions play an important role in computational molecular biophysics and their potential impact on disease mechanisms. At distances larger than several Angstroms, electrostatic interactions dominate all other forces, while the alteration of short-range electrostatic pairwise interactions can also have significant effects. The dual nature of electrostatic interactions, being dominant at long-range and specific at short-range, underscores their profound implications for wild-type structure and function. Any disruption of the complex electrostatic network of interactions may abolish wild-type functionality and could …
The Study Of Corrosion On Additive-Manufactured Metals., Braydan Daniels
The Study Of Corrosion On Additive-Manufactured Metals., Braydan Daniels
Electronic Theses and Dissertations
The purpose of this study was to investigate and compare the corrosion mechanisms between wrought and additive-manufactured (3D-printed) copper and stainless steel. The experimental procedure consisted of measuring the open circuit potential, electrochemical impedance spectroscopy, linear sweep voltammetry, Tafel analysis, surface topology, and scanning electron microscopy for each metal within salt water, tap water, sulfuric acid, and synthetic body fluid (excluding copper in synthetic body fluid).
Overall, printed stainless steel was more corrosion-resistant than wrought stainless steel in tap water and synthetic body fluid based on OCP, LSV, and surface topology results. Additionally, printed copper was more corrosion-resistant than wrought …
Synthesis, Radiolabeling And Evaluation Of A Suite Of Tracers With 44Sc For Detecting Extracellular Dna, Zhiyao Li
McKelvey School of Engineering Graduate Student Theses & Dissertations
Neutrophil extracellular traps involve the rapid translocation of DNA to the outside of the cell under certain stimuli. This structure forms a fibrous network that is able to limit the spread of pathogens and to kill microorganisms. It has also been shown to be present in various pathological processes such as inflammation, autoimmune diseases, and cancer metastasis. Currently, the formation process of NETs in vivo is being extensively studied. However noninvasive detection and quantitation has yet to be achieved. A class of PET tracers are described here that consists of a DNA dye as the backbone that is labeled with …
Spectroscopic Studies On Silicon And Chalcopyrite Materials For Solar Energy Applications, Amandee Hua
Spectroscopic Studies On Silicon And Chalcopyrite Materials For Solar Energy Applications, Amandee Hua
UNLV Theses, Dissertations, Professional Papers, and Capstones
In this dissertation, silicon-based materials for photovoltaics and chalcopyrite-based materials for photoelectrochemical water splitting are investigated using various spectroscopic and microscopic techniques. Although silicon dominates the photovoltaic market, further improvement can be made by using an alternative low temperature passivation approach. Currently, thermally grown SiO2 passivation is commonly used for silicon solar cells. However, this technique requires high processing temperatures (>800 °C), which increases the thermal budget, potentially decreases the bulk quality of Si, and can lead to difficulties in implementing in production lines. Here, a S-based passivation approach is studied that require lower processing temperatures of ~550 °C. …
Stoichiometric Determination Of Hydride Materials At Extreme Conditions, Gregory Alexander Smith
Stoichiometric Determination Of Hydride Materials At Extreme Conditions, Gregory Alexander Smith
UNLV Theses, Dissertations, Professional Papers, and Capstones
Hydrogen was predicted to be a high-temperature superconductor at near-megabar conditions in 1968,[1] but only recently was been experimentally observed.[2] This is due to the extraneous metrological constraint of requiring 5 megabars of pressure to stabilize. A more practical approach for synthesis of high-temperature superconductors has been pro-posed through the use of hydride compounds. Recently, a surge of rare earth hydrides have achieved critical superconducting transition temperatures (T_C ) close to room temperature.[3, 4, 5, 6] However, due to limitations of the necessary instrumentation to achieve megabar pressures, many techniques traditionally used to measure stoichiometry are unavailable.Three works presented in …
Design And Synthesis Of Novel Peptide-Metal Organic Frameworks, Moustafa Mahmoud Abdel Wahid Hamaad
Design And Synthesis Of Novel Peptide-Metal Organic Frameworks, Moustafa Mahmoud Abdel Wahid Hamaad
Theses and Dissertations
Metal-organic frameworks (MOFs) are a class of crystalline porous materials with extended network structures formed through the reticular assembly of inorganic and organic molecular building blocks through strong coordination bonds. Compared to other porous materials, MOFs offer a high degree of structural diversity as their shape and pore size as well as functionality can tuned by the precise selection and design of their metal centers and organic struts. Due to their high surface areas, pore volumes, and the possibility of introduction of a myriad of chemical functionalities in their structures, MOFs have gained popularity for applications in many fields such …
Anti-Doping Crisis In Sports, What's Next? Ion Mobility-Mass Spectrometry For The Study Of Anabolic Androgenic Steroids, Diana Constanza Velosa
Anti-Doping Crisis In Sports, What's Next? Ion Mobility-Mass Spectrometry For The Study Of Anabolic Androgenic Steroids, Diana Constanza Velosa
Theses and Dissertations
The main objective of this work is to augment both qualitative and quantitative measures of anabolic androgenic steroids (AAS) with ion mobility-mass spectrometry (IM-MS), laying the foundation for implementation into analytical drug testing laboratories. AAS testing requires high sensitivity and specificity. IM-MS is presented as an emerging technology workflow capable of targeted quantification of AAS and structural elucidation for potential unknowns, allowing ions to be separated and characterized based on their rotationally averaged collision cross section (CCS). Chapter 1 provides a background of the basic principles of IMS and the different types of analytical methods used for doping analysis currently …
Development Of Nonorthogonal Wavefunction Theories And Application To Multistate Reaction Processes., Emily Kempfer
Development Of Nonorthogonal Wavefunction Theories And Application To Multistate Reaction Processes., Emily Kempfer
Electronic Theses and Dissertations
Many prominent areas of technological development rely on exploiting the photochemical response of molecules. An application of particular interest is the control of molecular switches through a combination of different external stimuli. However, despite significant advances in theoretical approaches and numerous cases of successful application of theory, simulating photochemical reactions remains a computational challenge. Theoretical methods for describing excited states can be broadly divided into single-reference response methods and multireference methods. Single reference methods provide reliable semiquantitative results for single excitations. However, these methods cannot describe double-excited states, systems with strongly correlated ground states, or regions of degeneracy on the …
Structural, Magnetic, Electrical, Pseudocapacitive, And Electrocatalytic Properties Of Bilayered Ruddlesden-Popper Oxides., Chandana Kananke-Gamage
Structural, Magnetic, Electrical, Pseudocapacitive, And Electrocatalytic Properties Of Bilayered Ruddlesden-Popper Oxides., Chandana Kananke-Gamage
Electronic Theses and Dissertations
Ruddlesden Popper (RP) oxides are perovskite-derived functional materials with the general formula An-1Aʹ2BnO3n+1, where A/Aʹ is often a lanthanide or alkaline earth metal, and B is usually a transition metal. These materials contain perovskite-like connectivity, where BO6 units share apexes to form layers that are stacked above each other. The number of layers in each stack is represented by n in the above formula. The spaces between stacks are often occupied by lanthanide or alkaline-earth metals (Aʹ-site metals), which also reside in intra-stack spaces (A-site) between the octahedra. Oxide materials derived from perovskites have been studied for a wide range …
The Interconnected Roles Of Residues N189, E168, And S220 In M. Tuberculosis Indole-3-Glycerol Phosphate Synthase Catalysis, Erik Domlija
The Interconnected Roles Of Residues N189, E168, And S220 In M. Tuberculosis Indole-3-Glycerol Phosphate Synthase Catalysis, Erik Domlija
Theses, Dissertations and Culminating Projects
Tuberculosis (TB) is an infectious disease caused by the bacteria Mycobacterium tuberculosis that primarily attacks the lungs. Drug resistance for M. tuberculosis is emerging and therefore new drug targets need to be identified. One way to target TB is through the inhibition of the tryptophan biosynthetic pathway of M. tuberculosis since production of tryptophan is essential for the replication of M. tuberculosis. The enzyme Indole-3-glycerol phosphate synthase (MtIGPS) was chosen as a potential drug target due to its role in tryptophan biosynthesis. Residue N189 interacts with active site residues E168 and S220. It is inferred from previous studies done with …
Dpd Guided Insight On The Formation Process Of Polyethersulfone Membranes By Nonsolvent Induced Phase Separation And The Effects Of Additives, Eric Ledieu
Graduate Theses and Dissertations
Dissipative particle dynamics (DPD), a coarse grain simulation method, was applied to the membrane formation process of non-solvent induced phase separation (NIPS) to gain further insight on the mechanism of certain variables and how they affect the final morphology. NIPS involves two solutions, an organic polymer dissolved in an organic solvent colloquially called the dope and an aqueous coagulation bath, brought into contact with one another. The solvents then mix, causing the polymer to fall out of solution as an asymmetric membrane with a dense surface layer and a more open subsurface layer in response to the decreasing solubility. Polyethersulfone …
Analysis Of Steroid Hormone Isomers Using Ion Mobility-Mass Spectrometry, Shon Paul Neal
Analysis Of Steroid Hormone Isomers Using Ion Mobility-Mass Spectrometry, Shon Paul Neal
Theses and Dissertations
This dissertation presents a comprehensive study on the analysis of steroid hormone isomers using liquid chromatography-ion mobility-mass spectrometry (LC-IM-MS). The dissertation is divided into three main parts: the first part focuses on research using different drift gases and ion adducts to modify the mobility separations allowing for resolution between the isomers. The second part focuses on research exploring derivatization reactions that target structural differences between the steroid hormone isomers to amplify the differences and resolve the isomers in the ion mobility region. The final part covers a proposal on future study directions to include simultaneous derivatization reactions, mass spectrometry fragmentation, …
1. Influence Of Metal Ions And Solvents On The Photo-Generation Of Reactive Oxygen Species In Mesoporous Silicate Embedded Porphyrins 2.Water-Soluble Rhodium(Iii) Porphyrin Complex For The Biological Inactivation Of Fentanyl, Hemant Pal
Theses and Dissertations
Porphyrins are differentiated π-conjugated compounds with unique photochemical and redox properties. The tetrapyrrole macrocycle core of porphyrins is extremely favorable for the complexation of metal ions, resulting in hybrid metal-organic molecules with good catalytic properties. Porphyrin-based systems are known for their oxidative properties and are frequently utilized as bio-mimicking catalysts and environmental remediation agents. My current research aims at both of these aspects. One of the most efficient methods to create photocatalytic systems with outstanding features and applicability is the use of porphyrins on supported solid materials. A series of novel mesoporous silicate-embedded metalloporphyrins were prepared via conjugation of novel …
Water-Soluble Iron Porphyrin Complex For The Catalytic N-Dealkylation Of Fentanyl, Amanda Pitt
Water-Soluble Iron Porphyrin Complex For The Catalytic N-Dealkylation Of Fentanyl, Amanda Pitt
Theses and Dissertations
An increase in the misuse of opioids in the United States and the increasing potency of analogs necessitates novel treatments of opioid overdose. The chemical structure of synthetic opioids, such as fentanyl, carfentanil, and morphine possess a trialkyl amine functional group (-NR3) which makes for a promising target for potential catalysts. Iron (III)-tetrasulfonatophenyl porphyrin (complex 9) was synthesized as a potential catalyst for degradation of fentanyl. Complex 9a was prepared from the direct reaction of the free porphyrin and FeSO4. Complex 9b was prepared from the direct reaction of the free porphyrin and FeCl2 in refluxing DMF. The complexes were …
Structure Study Of Small Heat Shock Protein 27, Zhaobo Li
Structure Study Of Small Heat Shock Protein 27, Zhaobo Li
Open Access Theses & Dissertations
Molecular chaperones are a class of oligomeric proteins that play a critical role inpreventing the aggregation of non-native protein so that these proteins can later be refolded. Chaperones are ubiquitously expressed in all the kingdoms of life where their function is to counteract cellular stress and to maintain protein homeostasis. One subgroup of molecular chaperones is characterized by low molecular weight and are termed small heat shock proteins. The focus of the proposed research is the small heat shock protein 27 (Hsp27). Hsp27 is an ATP independent chaperone that is overexpressed in response to heat shock, radiation damage, oxidative damage, …
Supramolecular Pi-Donor/Acceptor Arrays Based On Redox-Active Metal-Organic Coordination Assemblies, Paola Benavides
Supramolecular Pi-Donor/Acceptor Arrays Based On Redox-Active Metal-Organic Coordination Assemblies, Paola Benavides
All Dissertations
Coordination-driven self-assembly is an attractive strategy for constructing thermodynamically stable supramolecular coordination complexes, ranging from discrete metallacycles and cages to infinite coordination polymers and metal-organic frameworks for a variety of applications.
Chapter 1 discusses strategies for preparing supramolecular charge-transfer π-donor/acceptor assemblies and their potential applications.
Chapter 2 demonstrates that tricomponent self-assembly method, which was believed to yield 3D-cages, based on tetrapyridyl porphyrin (M’TPP, M’ = Zn or H2), dicarboxylate ligands (XDC), and caped cis-Pt(II) corners, actually yields 2D-bowties featuring an M’TPP core and two parallel XDC linkers held together by four heteroligated PtII(N,O) corners. The 2D-bowties showed …
Designing Noncentrosymmetric Multifunctional Materials, Ebube Oyeka
Designing Noncentrosymmetric Multifunctional Materials, Ebube Oyeka
All Dissertations
Noncentrosymmetric (NCS) materials with crystal lattices lacking spatial inversion symmetry display a wide range of exciting functionalities. This dissertation covers two classes of functional NCS materials: magnetic skyrmion-host compounds and multifunctional materials. Magnetic skyrmion and multifunctional materials combining optical and magnetic responses are providing avenues for developing and optimizing the performance of electronic devices that can have uses in memory storage, laser technology, medicine, sensors, etc. The formation of skyrmions is driven by asymmetric Dzyaloshinskii–Moriya (DM) interaction facilitated by broken spatial inversion symmetry and large spin-orbit coupling (SOC), while multiple functionalities arise when spin carriers and optical chromophores are optimally …
The Concept Of Multicenter Bonds In Chemistry And Materials Science, Nikolay V. Tkachenko
The Concept Of Multicenter Bonds In Chemistry And Materials Science, Nikolay V. Tkachenko
All Graduate Theses and Dissertations, Spring 1920 to Summer 2023
Chemical bonds are components of a universal and compact language of chemistry that was empirically developed before the modern concepts of quantum physics. This language explains how molecules and solids keep together. In particular, Lewis’s shared electron-pair bonding model may be considered the most successful and generally accepted theory of chemical bonding due to its simplicity and predictive power. However, there is an entire world of chemical species where the classical Lewis bonding language fails to describe the bonding pattern adequately. Those cases include but are not limited to compounds with a significant electron delocalization (where electron density spread on …