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Articles 31 - 60 of 115
Full-Text Articles in Biochemistry, Biophysics, and Structural Biology
Applying Computational Methods To Study The Interactions Between Sars-Cov-2 And Hace2, Yixin Xie
Applying Computational Methods To Study The Interactions Between Sars-Cov-2 And Hace2, Yixin Xie
Open Access Theses & Dissertations
The ongoing outbreak of COVID-19 has been a serious threat to human health worldwide. The virus SARS-CoV-2 initiates its infection to the human body via the interaction of its spike (S) protein with the human Angiotensin-Converting Enzyme 2 (ACE2) of the host cells. Here we implemented multi-scale computational approaches to study the binding mechanisms of human ACE2 and S proteins of both SARS-CoV and SARS-CoV-2. Electrostatic features, including electrostatic potential, electric field lines and electrostatic forces of SARS-CoV and SARS-CoV-2 were calculated and compared in detail. The results demonstrate that SARS-CoV and SARS-CoV-2 S proteins are both attractive to ACE2 …
Structural Characterization Of Two Large Icosahedral Dna Viruses And Their Capsid Assembly Mechanisms, Yuejiao Xian
Structural Characterization Of Two Large Icosahedral Dna Viruses And Their Capsid Assembly Mechanisms, Yuejiao Xian
Open Access Theses & Dissertations
In the last three decades, many large DNA viruses were discovered and grouped into a loosely defined clade of Nucleocytoplasmic Large DNA Viruses (NCLDVs). NCLDVs infect a wide range of hosts from single cellular protists to large animals. Recently, these viruses were classified as a new phylum of Nucleocytoviricota under the kingdom of Bamfordvirae. The genomes of these Nucleocytoviricota viruses (NCVs) are remarkedly large and complicated, containing many cellular genes from all three domains of life, which raised intensive debates on their evolutionary origins. Despite being classified in the same phylum, their physical structures vary and can be roughly classified …
Structural Basis For The Stereoselective Epoxidation Reaction In Polyether Natural Product Biosynthesis, Qian Wang
Open Access Theses & Dissertations
Polycyclic polyether natural products have received much attention due to their diverse biological activities, ranging from extreme toxicity to therapeutic properties, including antimicrobial, antifungal, and anticancer activities. They are featured by multiple cyclic ether groups that vary in the number, size, and arrangement. Ionophore polyethers contain multiple tetrahydrofuran and tetrahydropyran rings connected by either spiroketal systems or carbon-carbon single bonds. Over the past 40 years, significant progress has been made in deciphering polyether biosynThesis pathways. Remarkably, all members of the polycyclic polyether family are thought to be generated via a common biosynthetic scheme. In 1983, Cane, Celmer, and Westly proposed …
A Role For Mek3 In The Oncogenesis Of Acute Lymphocytic Leukemia: Inactivation Of Mapk P38 Promotes Cell Proliferation Through Enhanced Degradation Of Mutant Mek3, Yoshira Marie Ayala-Marin
A Role For Mek3 In The Oncogenesis Of Acute Lymphocytic Leukemia: Inactivation Of Mapk P38 Promotes Cell Proliferation Through Enhanced Degradation Of Mutant Mek3, Yoshira Marie Ayala-Marin
Open Access Theses & Dissertations
In the United States, pediatric leukemia has the second-highest cancer mortality rate in Hispanic children, especially Acute Lymphocytic Leukemia (ALL). While treatment of ALL has improved overall the five-year survival rate of ~90 %, not everyone has benefited. Twenty percent of them will experience relapse, and from these, 30 - 50 % will die. Unfortunately, the cause behind these dreadful statistics is poorly understood due to the complex etiology of this disease. Thereby, it is essential to identify potential oncogenic proteins that promote ALL so that new strategies can be developed to diagnose and treat this cancer. Whole Exome Sequencing …
Molecular And Functional Characterization Of Α-Galactosyl Epitopes In Trypanosoma Cruzi, Uriel Ortega Rodriguez
Molecular And Functional Characterization Of Α-Galactosyl Epitopes In Trypanosoma Cruzi, Uriel Ortega Rodriguez
Open Access Theses & Dissertations
Trypanosoma cruzi, the causative agent of Chagas disease (CD) currently affects 6-7 million people across the world. Currently, only two drugs, benznidazole and nifurtimox, are available for treatment of CD and they are highly toxic and less effective in the chronic stage of the disease. Specific biomarkers for diagnosis and follow-up of treatment do not exist in the clinical settings. following chemotherapy, patients take approximately 10-20 years to exhibit negative seroconversion with the conventional serology assays. Moreover, there is no vaccine available to prevent or treat CD. T. cruzi contains a complex cell surface consisting of several classes of glycoconjugates …
Expression, Purification, And Characterization Of Recombinant Human Npas2, Brenda Moreno
Expression, Purification, And Characterization Of Recombinant Human Npas2, Brenda Moreno
Open Access Theses & Dissertations
Many living organisms have biological clocks known as circadian rhythms that control various physiological and behavioral processes, tailored with the day and night. At the cellular level, the circadian clock drives daily rhythms with a transcriptional-translational feedback loop (TTFL) established by multiple transcription factors and genes under their regulation. Circadian Locomotor Output Cycles Kaput (CLOCK) and Brain and Muscle ARNT-like protein 1 (BMAL1) are two of those transcription factors, initiating the TTFL by forming a heterodimeric complex that bind to DNA promoters. Neuronal PAS domain protein 2 (NPAS2) is a functional analog to CLOCK. Less knowledge about NPAS2, in contrast …
Insights Into The Structure, Pharmacology, And Evolution Of The Glycine Transporter 2, Ashley Bryan Lopez
Insights Into The Structure, Pharmacology, And Evolution Of The Glycine Transporter 2, Ashley Bryan Lopez
Open Access Theses & Dissertations
The balance between neuronal excitation and inhibition in the central nervous system is vital for survival. Overexcitation can be toxic and lead to certain manias or even death. On the other hand, extremely low levels of inhibition cause hyperekplexia, pain, and even forms of autism. Neuronal inhibition is, for the most part, achieved by two neurotransmitters, GABA and glycine. Levels of both neurotransmitters in the synaptic cleft are meticulously regulated by the GABA and glycine transporters, respectively, which belong to the solute carrier 6 (SLC6) family of neurotransmitter transporters and share structural similarities with other family members. In Chapter 1, …
Antioxidant Intervention In Radical-Induced Protein Damage, Emmanuel Zubia
Antioxidant Intervention In Radical-Induced Protein Damage, Emmanuel Zubia
Open Access Theses & Dissertations
Many environmental toxicants are known to increase free-radical production, which can create cellular havoc and lead to a myriad of ailments. Antioxidants can be used to ameliorate the prevalence of free radicals, potentially serving as prophylactics against radical-induced disorders. Many exogenous antioxidants are phytochemicals in origin, such as ascorbic acid, gallic acid, and ellagic acid. Some of these antioxidants can be found in traditional medicine, like tanshinone and brazilin, which have been studied and are known to have low cytotoxicity. Here we test the radical rescue capacity of a selected group of phytochemical antioxidants on protein rescue models. Specifically, our …
Novel Methods For The Inactivation Of Cruzain For The Prevention And Treatment Of Chagas Disease, Veronica Gonzalez
Novel Methods For The Inactivation Of Cruzain For The Prevention And Treatment Of Chagas Disease, Veronica Gonzalez
Open Access Theses & Dissertations
Chagas Disease, also known as American Trypanosomiasis, is endemic to Latin American and is gradually making its way to other countries. The disease is caused by Trypanosoma cruzi, a protozoan parasite that causes lesions and inflammation of organs including the heart, esophagus, and colon. Over 30% of people infected will develop heart disease which can be fatal if untreated. While no vaccine is yet available, research is currently being conducted in finding new treatments for the disease. One target is an enzyme that is believed to help the progression of the disease. Cruzain, a cysteine protease expressed as a pro-enzyme, …
Potential Of Nanoscale Elements To Control Fusarium Wilt Disease In Tomato (Solanum Lycopersicum), Enhance Macronutrient Use Efficiency, And Increase Its Yield, Ishaq Olarewaju Adisa
Potential Of Nanoscale Elements To Control Fusarium Wilt Disease In Tomato (Solanum Lycopersicum), Enhance Macronutrient Use Efficiency, And Increase Its Yield, Ishaq Olarewaju Adisa
Open Access Theses & Dissertations
Nanotechnology has a great potential in ensuring food production, security and safety globally. Over the past decade, research on the use of nanomaterials to supply nutrient elements and protect plants from pest and diseases has significantly increased. Tomato (Solanum lycopersicum) is one of the most consumed vegetables in the world and United State is one of its largest producers globally generating billions of dollars annually in revenue.. Tomato plants are affected worldwide by Fusarium wilt caused by Fusarium oxysporum f. sp. Lycopersici. There is growing concern about excessive use of conventional pesticides in controlling Fusarium and other diseases in tomato …
Computational Study Of Disease Related Proteins Form Electrostatic Point Of View, Chitra Bahadur Karki
Computational Study Of Disease Related Proteins Form Electrostatic Point Of View, Chitra Bahadur Karki
Open Access Theses & Dissertations
In the last three decades, many giant DNA viruses have been discovered. The giant viruses present a unique and essential research frontier for the study of self-assembly and regulation of supramolecular assemblies. The question on how these giant DNA viruses assemble thousands of proteins so accurately to form their protein shell, the capsids, remains largely unanswered. Revealing the mechanisms of giant virus assembly will help to discover the mysteries of many self-assembly biology problems. Paramecium Bursaria Chlorella Virus 1 (PBCV-1) is one of the most intensively studied giant viruses. Based on the high-resolution structure of PBCV-1, we implemented a multi-scale …
Non Linear Optics For Materials Fabrication And Medical Instrumentation, Aurelio Paez
Non Linear Optics For Materials Fabrication And Medical Instrumentation, Aurelio Paez
Open Access Theses & Dissertations
Two-photon absorption is a nonlinear optical process where two photons are absorbed by a molecule simultaneously. The probability of this quantum phenomenon is proportional to the quadratic excitation of light intensity. It has many applications in biomedical and materials research, such as two-photon fluorescence microcopy. The first project is to apply two-photon absorption induced bond cleavage in photoreactive materials for engineering 3D tissue scaffolds. The major challenge for growing thick 3D tissues is the lack of vasculature, where nutrients and oxygen can be delivered to the growing cells. Our collaborators have synthesized a novel polypeptide that is composed of 34-mer …
Naturally Derived Compounds As Preventatives Of Proteinopathies, Lois Mendez
Naturally Derived Compounds As Preventatives Of Proteinopathies, Lois Mendez
Open Access Theses & Dissertations
Neurodegenerative diseases, such as Parkinson’s disease (PD), afflict millions worldwide. Of greater concern is the fact that a main risk factor this disease is aging and the baby boomer population is now reaching a geriatric age. Despite the active research in this area, little progress has been made in the development of therapeutic strategies and furthering of our understanding in pinpointing the causal events that onset these disease processes. Our lab has focused on studying the protein homeostasis of key biomarkers in neurodegenerative diseases and examining whether natural compounds can act as neuro-protectants and, thus, attenuate the pathology that ensues …
Computational Modeling Of Ring Dna-Carbon Nanotube Sensors, Aliasghar Alizadehmojarad
Computational Modeling Of Ring Dna-Carbon Nanotube Sensors, Aliasghar Alizadehmojarad
Open Access Theses & Dissertations
Non-covalent interactions between single-stranded DNA (ssDNA) oligonucleotides and carbon nanotubes have provided a unique class of tunable chemistries for applications in nanotube chirality purification, gene delivery, electrochemistry, and nanosensor development. However, mechanistic insight into both the photophysical and intermolecular phenomena underlying their utility in such applications is lacking, resulting in non-systematic approaches to producing DNAnanotube based technologies. In this work, we explore the molecular interactions between ssDNA polymers, in particular (GT)6, and single-walled carbon nanotubes (SWNT) in an ultrasensitive nanosensor for a modulatory neurotransmitters dopamine. Classical molecular dynamics simulations show that (GT)6 oligonucleotides adopt ordered, ring-like conformations around SWNT in …
Steroid-Coa Ligases, Fadd17a1 And Fadd19a1, And Their Role In Cholesterol Side-Chain Degradation In Mycobacterium Tuberculosis, Johnathan Salim Abou-Fadel
Steroid-Coa Ligases, Fadd17a1 And Fadd19a1, And Their Role In Cholesterol Side-Chain Degradation In Mycobacterium Tuberculosis, Johnathan Salim Abou-Fadel
Open Access Theses & Dissertations
Mycobacterium tuberculosis (Mtb) is a serious health issue arising from the increasing incidence of multi-drug resistant (MDR-TB) strains that are becoming more prevalent in high-risk countries, especially here in the Texas/Mexico border. Confirmed cases and outbreaks in schools and hospitals are more frequent in this region due to the high-volume pedestrian traffic between the two cities, and the lack of a modernized health system in Mexico. Identification of new Mtb metabolic pathways for development of novel antitubercular drugs is urgently needed. The goal of this current work investigates two Mtb fatty acyl-CoA ligase enzymes' (FadD17A1 and FadD19A1) to explore whether …
The Structural And Functional Study Of The Human Mitochondrial Hsp60 Chaperonin In Neurodegenerative Diseases, Jinliang Wang
The Structural And Functional Study Of The Human Mitochondrial Hsp60 Chaperonin In Neurodegenerative Diseases, Jinliang Wang
Open Access Theses & Dissertations
Proteins are essential elements that are responsible for a variety of cellular activities within organisms, including catalyzing metabolic reactions, DNA replication, responding to stimuli, providing structure to cells and organisms, and transporting molecules. After protein synthesis in the ribosome, the unfolded protein need to fold into their unique compact structures so that they can perform their full biological functions. The biologically active structure of a protein is referred to the native-state of the protein with biological activity. The process of protein folding is one of the most important and challenging research topics of contemporary biochemistry, especially for its central role …
Geant4 Study Of A Gamma Ray Collimator For Proton Therapy, Selim Romero
Geant4 Study Of A Gamma Ray Collimator For Proton Therapy, Selim Romero
Open Access Theses & Dissertations
This Thesis presents the results of an investigation of the use of collimators in proton therapy. The problem to solve is that in the proton therapy, we do not have the certainty if the target-tumor is receiving all the energy to destroy it or if we are really shooting at this one, so the remaining question is: where the beam is hitting? How to know it? to answer those questions our work has the propose of study proton therapy to determine where the proton interactions occur, these kinds of interactions usually produce gamma rays, and we simulated in GEANT4 the …
Environmental And Genetic Factors Affecting Antibiotic Resistance Of Extended Spectrum Î?-Lactamase Bacteria From The Rio Grande River In El Paso, Tx And Cd. Juarez, Mexico, Maria D. Fuentes
Open Access Theses & Dissertations
Background: The Rio Grande River provides a major source of potable and agricultural water for the population of the Texas/Mexico border region. Cattle farming and ranching are the most prevalent activities, which may contribute to the microbial burden of pharmaceuticals into our state's water resources. Antibiotics, presumably released into the environment by discharges originating from waste-water treatment plants, septic disposal systems, animal feeding operations and urban runoff have a definite impact on the ecosystem and may contribute to an increase in antibiotic resistance. We hypothesized that waters of the Rio Grande River contained Multi Drug Resistant Organisms (MDRO) and mobile …
The Inverse And Direct Hofmeister Series Of Hen Egg White Lysozyme At Ph Below The Isoelectric Point (Pi) As Seen By Small Angle X-Ray Scattering(Saxs), Pawan Koirala
Open Access Theses & Dissertations
The structural changes of Hen Egg White Lysozyme (HEWL) in the intermediate stages leading up to Hofmeister anion-induced aggregation were measured using small-angle x-ray Scattering (SAXS). We used three concentrations of HEWL: 10mg/ml, 60mg/ml and 200mg/ml and two concentrations of salts: 0.1M and 1.0M, mostly in a Tris-buffer solution with a pH of 9.0. For 200mg/ml in Di-water solution, the scattering signal was best fit using an ellipsoidal form factor with equatorial radius of 28.4±0.1 Å and polar radius of 11.3±0.1 Å, and a screened Coulomb repulsive structure factor with an effective radius of 19.9±0.1 Å and protein surface charge …
Crispr/Cas9-Induced Genetic Disruption And Characterization Of Udp-Galactopyranose Mutase In Trypanosoma Cruzi, Claudia Manriquez
Crispr/Cas9-Induced Genetic Disruption And Characterization Of Udp-Galactopyranose Mutase In Trypanosoma Cruzi, Claudia Manriquez
Open Access Theses & Dissertations
The protozoan parasite, Trypanosoma cruzi, is the causative agent of Chagas disease (ChD), or American trypanosomiasis, which affects 6-8 million people in Latin America. It is estimated that 2-3 million people will develop severe lifelong cardiac and/or digestive disorders. ChD has become a life threat not only to endemic regions but most recently also to nonendemic regions, including the United States, owing to extensive worldwide migration in recent years. The lack of a vaccine and the limited efficacy of the two drug treatments available make it urgent to develop novel therapies to treat such a threatening disease. UDP-Galactopyranose mutase (UGM) …
Integrated Immunoassays On Paper/Polymer Hybrid Microfluidic Devices For Low-Cost Detection Of Disease Biomarkers, Sanjay Sharma Timilsina
Integrated Immunoassays On Paper/Polymer Hybrid Microfluidic Devices For Low-Cost Detection Of Disease Biomarkers, Sanjay Sharma Timilsina
Open Access Theses & Dissertations
Infectious diseases and cancers have been the major cause of global death and disability causing a significant impact on global health and economies. Enzyme-linked immunosorbent assay (ELISA) is one of the most widely used laboratory diagnostic methods for infectious diseases and cancer. ELISA detects proteins based on their binding to immobilized antibodies or antigen. Even though most ELISAs performed today in 96-well plates are well suited for high throughput assays, performing ELISA in low-resource settings is limited by several factors, such as long incubation time, large volumes of precious reagents, and well-equipped laboratories. Herein, we have developed multiple simple, miniaturized …
Biochemical Characterization Of Wild-Type Hsp27 And Point Mutation S135f That Leads To Neurodegenerative Disease, Janelly Villalobos
Biochemical Characterization Of Wild-Type Hsp27 And Point Mutation S135f That Leads To Neurodegenerative Disease, Janelly Villalobos
Open Access Theses & Dissertations
HSPB1, also classified as heat shock protein 27 (Hsp27), is a small chaperone that is active in cells during stressful conditions. The chaperone can stabilize target proteins in a non-aggregated folding state and might be involved in regulation of folding and assembly of neurofilaments. There are five mutations in the genome of Hsp27 that are involved in Charcot Marie Tooth Disease (CMT). This neurodegenerative disease is characterized by the first decades of life where it slowly progresses to weakness of muscles followed by sensory loss and skeletal deformities. CMT is the most common hereditary neuromuscular disease, with an estimated rate …
Characterizing Regulatory Factors Of The Sumoylation System, David Quintanar
Characterizing Regulatory Factors Of The Sumoylation System, David Quintanar
Open Access Theses & Dissertations
The effects that influenzaâ??s seasonal epidemics have on human health and the global economy have been clearly noted; while they are indeed very impressive, the impact of influenza pandemics arguably surpass other known infectious agents. Influenza A virus attaches to, enters, and infect cells by releasing its segmented genome which localize to the nucleus then use the hostâ??s cellular machinery to replicate and create viral progeny. The virus is able to hijack transcriptional components as well as to interact with other known and unknown host proteins which ultimately allows for a balance between cell viability and viral propagation. One known …
The Human Mitochondrial Chaperonin: It Takes Two Single-Rings To Tango, Adrian Sergio Enriquez
The Human Mitochondrial Chaperonin: It Takes Two Single-Rings To Tango, Adrian Sergio Enriquez
Open Access Theses & Dissertations
The human mitochondrial chaperonin is a macromolecular machine that catalyzes the proper folding and assembly of newly imported mitochondrial proteins into their biologically active state. It is composed of two proteins from the highly conserved heat shock protein family, hsp10 and hsp60, that assemble into large oligomeric complexes responsible for mediating the folding of non-native polypeptides in an ATP dependent manner. In addition to its innate role in protein folding, human mitochondrial hsp60 has been implicated in numerous moonlighting cellular activities that have been linked to diseases conditions such as cancer and neurodegeneracy. In light of its cellular importance, the …
Imaging Live Drosophila Brain With Two-Photon Fluorescence Microscopy, Syeed Ehsan Ahmed
Imaging Live Drosophila Brain With Two-Photon Fluorescence Microscopy, Syeed Ehsan Ahmed
Open Access Theses & Dissertations
Two-photon fluorescence microscopy is an imaging technique which delivers distinct benefits for in vivo cellular and molecular imaging. Cyclic adenosine monophosphate (cAMP), a second messenger molecule, is responsible for triggering many physiological changes in neural system. However, the mechanism by which this molecule regulates responses in neuron cells is not yet clearly understood. When cAMP binds to a target protein, it changes the structure of that protein. Therefore, studying this molecular structure change with fluorescence resonance energy transfer (FRET) imaging can shed light on the cAMP functioning mechanism. FRET is a non-radiative dipole-dipole coupling which is sensitive to small distance …
Structure And Biological Activity Of A D3g Mutation In The Human Mitochondrial Chaperonin Hsp60, Jihui Li
Structure And Biological Activity Of A D3g Mutation In The Human Mitochondrial Chaperonin Hsp60, Jihui Li
Open Access Theses & Dissertations
Proteins are essential components in all cellular activities, including signal transduction, gene expression regulation, immune response, structural support and many others. Following their synThesis on the ribosome, proteins need to fold into their precise three-dimensional structure to obtain functionality. If they fold incorrectly they are prone to aggregation and cause a wide range of neurodegenerative diseases. Some proteins are capable of folding without assistance but others need help from protein complexes known as chaperonins. Chaperonins are a family of proteins that assemble into barrel-shaped cages the create a protected chamber for misfolded proteins to refold into their biologically active state. …
Two-Photon Excitation Based Photochemistry And Neural Imaging, Kevin Andrew Hatch
Two-Photon Excitation Based Photochemistry And Neural Imaging, Kevin Andrew Hatch
Open Access Theses & Dissertations
Two-photon microscopy is a fluorescence imaging technique which provides distinct advantages in three-dimensional cellular and molecular imaging. The benefits of this technology may extend beyond imaging capabilities through exploitation of the quantum processes responsible for fluorescent events. This study utilized a two-photon microscope to investigate a synthetic photoreactive collagen peptidomimetic, which may serve as a potential material for tissue engineering using the techniques of two-photon photolysis and two-photon polymerization. The combination of these techniques could potentially be used to produce a scaffold for the vascularization of engineered three-dimensional tissues in vitro to address the current limitations of tissue engineering. Additionally, …
Defining And Characterizing The Step In The Hiv-1 Viral Life Cycle Affected By Fullerene Derivatives, Zachary Sean Martinez
Defining And Characterizing The Step In The Hiv-1 Viral Life Cycle Affected By Fullerene Derivatives, Zachary Sean Martinez
Open Access Theses & Dissertations
Fullerene derivatives, both C60 and C70, were synthesized and characterized to test their activity against HIV-1 infection. The derivatives tested have previously been reported to inhibit HIV-1 replication and/or in vitro activity of reverse transcriptase. It was found that viruses produced in the presence of low micromolar concentrations of most of these fullerene derivatives exhibit a reduction in viral infectivity greater than 99%. Quantification of virion-associated viral RNA and p24 indicates that RNA packaging and viral production were unremarkable in these viruses. These compounds did not affect infectivity of mature virions, indicating no effect on the early steps of the …
A Requirement For Y841 In Jak3 Enzymatic Activity And Hematopoietic Cancers, George Steven Martinez
A Requirement For Y841 In Jak3 Enzymatic Activity And Hematopoietic Cancers, George Steven Martinez
Open Access Theses & Dissertations
A medical need exists for successfully treating people afflicted with leukemia, especially those who develop drug resistant forms. Relapse leukemia cases are particularly high within Hispanic populations where this disease is among the most frequently occurring cancer. Fourteen somatic mutations have been reported in Janus tyrosine kinase 3 (Jak3), including M511I and A573V, from patients with various forms of leukemia. To monitor drug sensitivity, a model system was developed. Indeed, many of these mutations have been shown to possess transforming ability in cell lines such as the IL-3 dependent pro-B cell line Ba/F3. As such, Ba/F3 cells were transformed to …
Study On Dioxygen Binding To Heme Using Scan Functional, Zegnet Yimer Muhammed
Study On Dioxygen Binding To Heme Using Scan Functional, Zegnet Yimer Muhammed
Open Access Theses & Dissertations
Density functional theory, a quantum mechanical based electronic structure method with GGA-PBE and MGG-SCAN functionals, are used to investigate the structure and energies of singlet, triplet, and quintet spin states of FeP (iron Porphyrin), FePIm (imidazole iron porphyrin), and FePImO2 (dioxygen imidazole iron porphyrin) systems. The binding and release of dioxygen to and from hemoglobin (Hb) are the most crucial reaction takes place in human body to sustain the existence of life. FePImO2 is used to model this phenomenon. When O2 binds to FePIm, the system undergoes a conformational change. i.e. from domed structure of FePIm in which the Fe …