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Articles 61 - 90 of 99
Full-Text Articles in Analytical Chemistry
Detection Of Folate Binding Protein, Anwer Unnisa
Detection Of Folate Binding Protein, Anwer Unnisa
All Capstone Projects
Cancer is the second leading cause of death despite the anti cancer developments including hormone therapy, radiotherapy, chemotherapy. Chemotherapy includes use of potent drugs such as camptothecin, paclitaxel and mitomycin. These drugs have an effect which is dose responsive, where the drug exposure and cell kill are proportional. This chemotherapy is high dose and has less selectivity for cancer cells and has more toxic effect to normal cells. Such kind of non specific treatment to tumor is causing hurdles in the treatment of cancer by chemotherapy. To overcome this current limitation to chemotherapy, the anti cancer drug with high specificity …
Synthesis And Characterization Of Nanoparticulated Rifampicin, Lakshmi Sai Priyanka Guttikonda
Synthesis And Characterization Of Nanoparticulated Rifampicin, Lakshmi Sai Priyanka Guttikonda
All Capstone Projects
Rifampicin is a naturally made, non-peptide antibiotic. It is bactericidal, killing by disabling the protein expression system universally conserved by all bacteria. Specifically, it inhibits the RNA polymerase protein, which is responsible for binding to a strand of DNA as a template and using it to construct a strand of mRNA. The reason rifampicin works so well is that it is a rigid molecule, and sits tightly in the pocket where it binds, allowing the bonds to be very strong. However, this also means if an amino acid with the edge of the channel with a small side chain is …
Purification And Analysis Of Folate Dye Conjugates, Anisha Hari Ganji
Purification And Analysis Of Folate Dye Conjugates, Anisha Hari Ganji
All Capstone Projects
Folate receptors play an important role in drug delivery systems as they are known to increase the potency and reduce toxicity of many cancer therapies. Folate receptors are present in abundance on cancerous tissues more so than on non-cancerous tissues. Folate binds to a variety of drugs that include chemotherapeutic agents, liposomes, radio-imaging agents, immunotherapeutic drugs and the like. Folate has been researched and used over the past decade as it is inexpensive and binds to the folate receptors with high affinity when compared to monoclonal antibodies. Nuclear imaging by SPECT and PET has interested many researchers. Other processes include …
Synthesis And Analytical Evaluation Of Folate Conjugates For Use In Cancer Cell Detection, Pradipkumar Koshiya
Synthesis And Analytical Evaluation Of Folate Conjugates For Use In Cancer Cell Detection, Pradipkumar Koshiya
All Capstone Projects
Folate-targeted dyes have been used for the detection of tumor tissue and isolated cancer cells in both the animal tumor models as well as in human cancer patients. Folate receptors (FR) are abundantly present on several cancerous cell types but they are found less in normal human cells. There are several imaging agents that can be linked with folic acid and used for the detection of tumor. These imaging agents could be protein toxins, chemotherapeutic agents, gene therapy vectors, oligonucleotides, radioimaging agents, magnetic resonance imaging contrast agents and liposomes with entrapped drugs, radiotherapeutic agents and/or immunotherapeutic agents. This research showed …
Determination Of Protein Using Microdrop Assay, Hardik Khared
Determination Of Protein Using Microdrop Assay, Hardik Khared
All Capstone Projects
After purification of protein, it is important to know the concentration of protein in our samples. Concentration or amount of protein in the sample is determined by different assay as BCA (bicinchoninic acid) Assay, Bradford Assay, and Lowery Assay. There are different methods available to perform these assays, which have some limitations, restrictions, advantages and disadvantages. These methods require large amounts of costly reagents, proteins and most importantly, valuable time. To overcome these problems a new method is developed called Microdrop Protein Analysis. This new method required a very small amount of reagents and protein mixtures (2-5 µʅ volume) and …
Evaluation And In Vitro Studies Of Folate-Peg-Biotin, Kuldeep Reddy Vanga
Evaluation And In Vitro Studies Of Folate-Peg-Biotin, Kuldeep Reddy Vanga
All Capstone Projects
Folate receptor is a membrane bound protein which is highly expressed by cancer cells and macrophages. Folic acid is required for the normal growth of cells and it has been found that rapidly growing cancer cells require high levels of folic acid. Folic acid binds to folate receptors and through receptor mediated transport folate enters cells. This property has been used to synthesize a probe using folate as ligand through polyethylene glycol-Biotin linker. This can be used to attach a drug which is ultimately delivered at the site of infectious cells. The study involved here was to determine how folate …
Detection Of Folate Receptor From Fr+ Cancer Cells, Darpan Patel
Detection Of Folate Receptor From Fr+ Cancer Cells, Darpan Patel
All Capstone Projects
The aim was to detect cancer cells by using folate–PEG-Biotin probe with fluorescently labeled streptavidin for targeted drug delivery of anti-cancer drugs and diagnose cancer cells. Folate-PEG-Biotin (synthesized by Dr. Henne and Mr.Rohan Patel) was purified by HighPeformanceLiquidChromatography (HPLC) analysis and with the help of Liquid Chromatography/Mass Spectrometry (LC/MS) its identity was confirmed. Folate is a basic composition of cell metabolism in both synthesis of DNA and proteins. Growing cancer cells require high level of folic acid. Folate Receptor-α (FR-α) is a membrane bound protein having high affinity for folic acid and serves to transport of folate into cells. Poly …
A Sodium Salt Of The Dimer Of Boronoterephthalic Acid Anhydride, Scott Simmons, Albert Fratini, Vladimir Benin
A Sodium Salt Of The Dimer Of Boronoterephthalic Acid Anhydride, Scott Simmons, Albert Fratini, Vladimir Benin
Chemistry Faculty Publications
The title compound, sodium bis(6-carboxy-1-hydroxy-3-oxo-1,3-dihydro-2,1-benzoxaborol-1-yl)oxidanium, Na+·C16H15B2O13-, was prepared in two steps from 2-bromo-p-xylene. Its crystal structure was determined at 140 K and has triclinic (P) symmetry. The compound presents a unique structural motif, including two units of the cyclic anhydride of boronoterephthalic acid, joined by a protonated, and thereby trivalent, oxonium center. Association in the crystal is realized by complementary hydrogen bonding of the carboxyl groups, as well as by coordination of the sodium cations to the oxygen centers on the five-membered rings.
Theoretical Investigation Of A Reported Antibiotic From The 'Miracle Tree' Moringa Oleifera, Michael Horwath, Vladimir Benin
Theoretical Investigation Of A Reported Antibiotic From The 'Miracle Tree' Moringa Oleifera, Michael Horwath, Vladimir Benin
Chemistry Faculty Publications
Moringa oleifera, sometimes called the “Miracle Tree,” has received international attention for its potential to improve health in impoverished tropical areas. In addition to high vitamin content in the leaves and pods, the tree contains compounds with antioxidant and antibacterial properties. This study focused on the theoretical investigation of the suggested structure of one antibacterial compound, “pterygospermin,” whose existence was proposed after some studies of the roots of M. oleifera. The structure of pterygospermin was first proposed by a research group working in the 1950s, but later studies have not found evidence of this compound and have instead …
Detection Of Protein By Microdrop Analysis, Yogeshkumar Radadiya
Detection Of Protein By Microdrop Analysis, Yogeshkumar Radadiya
All Capstone Projects
Analysis of protein depends particularly on protein concentration. Protein concentration measurement is the most important part in the research work to conduct protein-related studies. Although there are many methods available for this purpose, each method has certain limitations. The aim of the experiment is to develop either new or modified analytical method for the analysis and detection of protein using newly introduced micro-plate reader equipped with Take-3 microplate with the help of Gen-5 software. An ideal assay should be simple and easy to carry out. Another aspect to be taken into consideration are low inference, stability of measured components and …
Developing Novel Nanoparticulated Imaging System Using Luminescence Enhancement Of Eu(Iii) And Tb(Iii) By Single-Strand Dna Encapsulation, David A. Corcoran, Diana L. Harms (Galindo)
Developing Novel Nanoparticulated Imaging System Using Luminescence Enhancement Of Eu(Iii) And Tb(Iii) By Single-Strand Dna Encapsulation, David A. Corcoran, Diana L. Harms (Galindo)
All Student Theses and Dissertations
Non-toxic biosensors are encountering an increase in attention for use in understanding the fate of cells and as a diagnostic tool. Development and incorporation of suitable fluorophores into biological molecules is the key for monitoring proteins in vivo research. This study investigated the enhanced emission of Eu (III) and Tb (III) upon binding to the four DNA bases and their respective nucleotides, found the best ratio for effective energy transfer, and developing nanoparticles to deliver the biosensor into the cells.
It is well known that Eu (III) and Tb (III) exhibit very distinctive photo-characteristics. The luminescence of these two lanthanides …
Method Development For The Analysis Of Ddt, Ddd, And Dde In Cow Milk, Amanda Parra^, Betty Rocha, Wen-Yee Lee*
Method Development For The Analysis Of Ddt, Ddd, And Dde In Cow Milk, Amanda Parra^, Betty Rocha, Wen-Yee Lee*
COURI Symposium Abstracts, Spring 2011
Organochlorine Pesticides (OCs) are classified as persistent organic pollutants (POPs). They have been found to bioaccumulate in organisms over time. These chemicals tend to attach to fatty tissues in animals and humans, remaining for long periods of time. OCs may be responsible for a vast number of health conditions including neurological disorders, endocrine disruption, reproductive dysfunctions, and possible linkage to cancer. OCs such as DDT, DDE and DDD are banned, however, they have still been detected in environmental samples worldwide. The main objective of this study is to investigate the presence of DDT, DDE and DDD in cow milk using …
Transformation Of Fusarium Verticillioides With A Polyketide Gene Cluster Isolated From A Fungal Endophyte Activates The Biosynthesis Of Fusaric Acid, Yunxuan Xie, Wei Zhang, Yaoyao Li, Mingzi Wang, Ronald Cerny, Yue Shen, Liangcheng Du
Transformation Of Fusarium Verticillioides With A Polyketide Gene Cluster Isolated From A Fungal Endophyte Activates The Biosynthesis Of Fusaric Acid, Yunxuan Xie, Wei Zhang, Yaoyao Li, Mingzi Wang, Ronald Cerny, Yue Shen, Liangcheng Du
Liangcheng Du Publications
A large number of bioactive natural products have been isolated from plant endophytic fungi. However, molecular mechanisms for the biosynthesis of these metabolites have lagged behind because genetic and biochemical studies are difficult to perform within many of the endophytes. In this work, we describe our attempt to express a putative mycoepoxydiene (MED) biosynthetic gene cluster in Fusarium verticillioides, which has a well-developed genetic system for the study fungal polyketide biosynthesis. MED was isolated from Phomopsis sp. A123, a fungal endophyte of the mangrove plant, Kandelia candel. It has several unusual structural features and interesting biological activities. Integration of …
Determination Of Caffeine As A Marker For Septic Tank Contamination Of Wilgreen Lake, Rosemary Onjiko, Susan Godbey, Walter S. Borowski, Darrin Smith, Lori Wilson
Determination Of Caffeine As A Marker For Septic Tank Contamination Of Wilgreen Lake, Rosemary Onjiko, Susan Godbey, Walter S. Borowski, Darrin Smith, Lori Wilson
EKU Faculty and Staff Scholarship
Wilgreen Lake in Richmond, Kentucky, has been listed by both the state and the Environmental Protection Agency as an “impaired” lake due to excess nutrients, which may be in part contributed by domestic septic systems. Caffeine can be used as an anthropogenic marker to estimate the contribution of septic tank effluent to the lake. We have modified existing analytical methods to produce a viable method for the determination of caffeine in environmental water samples and applied the method to water samples collected from Wilgreen Lake. The modified method allows determination of caffeine in a concentration range of 75 to 10,000 …
Applications Of Raman Spectroscopy Technique In Lithium Ion Batteries, Liang Zhao, Yong-Sheng Hu, Hong Li, Zhao-Xiang Wang, Hong-Xing Xu, Xue-Jie Huang, Li-Quan Chen
Applications Of Raman Spectroscopy Technique In Lithium Ion Batteries, Liang Zhao, Yong-Sheng Hu, Hong Li, Zhao-Xiang Wang, Hong-Xing Xu, Xue-Jie Huang, Li-Quan Chen
Journal of Electrochemistry
The Raman spectroscopy has been widely used in the study of lithium ion batteries.In this short review,we gave some examples of the applications of Raman spectroscopy in the study of electrode materials including carbonaceous materials,spinel LiMxMn2-x O4,LiFePO4,as well as polymer electrolytes,room temperaturemolten salt electrolytes and the solid-electrolyte interphase layers.The advantages and disadvantages of the ex-situ and in-situ Raman spectrum techniques are discussed.Using new Raman techniques to investigate Li-ion batteries are suggested.
Determinations In Reducing Degree Of Iron-Amine Complex By Cyclic Voltammetry, Yu-Kun Lai, Wei Wang
Determinations In Reducing Degree Of Iron-Amine Complex By Cyclic Voltammetry, Yu-Kun Lai, Wei Wang
Journal of Electrochemistry
The veracity and influence factors in reducing degree on iron-amine complex were tested by cyclic voltammetry.The types of cathode electrolytes including ferric nitrate,triethanolamine,sodium hydroxide and calcium nitrate were optimized.Compared with dip-dyeing coloration method,the cyclic voltammetry method can be used to measure the reducing degree of iron-amine complex more accurately with better stability,easier and faster operation.Potential applications of cyclic voltammetric determination method can be found in the fields of electrochemical dye production and related quality control.
Electrochemical Studies Of Quinone On Clay-Modified Platinum Electrodes, Thomas Edward Nelson
Electrochemical Studies Of Quinone On Clay-Modified Platinum Electrodes, Thomas Edward Nelson
Theses (2 year embargo)
No abstract provided.
Instrumentation Analysis For Large Molecules: A Theoretical Study And Simulations, Yi She
Instrumentation Analysis For Large Molecules: A Theoretical Study And Simulations, Yi She
Student Theses and Dissertations
Instrumentation analysis such as mass spectrometry allows one to analyze size up to 100kD safely. Difficulty arises from kinetic energies carried by larger-size molecules. Currently our group is developing a high pressure device, and the plan requires a theory (mathematics and physics) to back it up and highly accurate simulations for visualization and interpretation of the theoretical results. Such simulation is computationally (time-wise) difficult because of immense number of collisions. In our first trial of larger-molecule simulation, we incorporate a concept of drag with slip correction factor, relaxation time, and fluid viscosity into a statistical trajectory model currently common used. …
Nmr Solution Structures Of Two Hairpins Of E. Coli 16s Rrna: The Effects Of Mutations And Chemical Modifications On Structure And Function Of Rrna, Yu Liu
Wayne State University Dissertations
The structures of two functional mutants, the UC (G690U, U697C) and the QM mutants (G690A, G693C, A695C, U697A) of the 690 hairpin of E. coli 16S ribosomal RNA were determined by NMR. The UC mutant and the QM mutant with high biological function are able to fold into structures that are isomorphous with the wild-type 690 hairpin sequence. The structural comparisons among the functional mutants and the wild-type provides structural validation for previously identified specific functional groups that are crucial for maintaining function of the 690 hairpin. The key groups for maintaining the structure and function of the 690 loop …
Structure Function Analysis Of An Adp-Ribosyltransferase Type Iii Effector And Its Rna-Binding Target In Plant Immunity, Byeong-Ryool Jeong, Yan Lin, Anna Joe, Ming Guo, Christin Korneli, Huirong Yang, Ping Wang, Min Yu, Ronald Cerny, Dorothee Staiger, James R. Alfano, Yanhui Xu
Structure Function Analysis Of An Adp-Ribosyltransferase Type Iii Effector And Its Rna-Binding Target In Plant Immunity, Byeong-Ryool Jeong, Yan Lin, Anna Joe, Ming Guo, Christin Korneli, Huirong Yang, Ping Wang, Min Yu, Ronald Cerny, Dorothee Staiger, James R. Alfano, Yanhui Xu
Ronald Cerny Publications
Background: HopU1 ADP-ribosylates GRP7, suppressing plant immunity.
Results: The HopU1 structure has two novel loops required for GRP7 recognition, and HopU1 ribosylates GRP7 at an arginine in position 49 disrupting its function.
Conclusion: HopU1 targets a conserved arginine in GRP7, disabling its ability to bind immunity-related RNA.
Significance: The mechanistic details of how HopU1 recognizes its substrate reveal how HopU1 contributes to pathogenesis.
Variations In Concentrations And Compositions Of Polycyclic Aromatic Hydrocarbons (Pahs) In Coals Related To The Coal Rank And Origin, Susanne Laumann, Vesna Micic Batka, Michael A. Kruge, Christine Achten, Reinhard Sachsenhofer, Jan Schwarzbauer, Thilo Hofmann
Variations In Concentrations And Compositions Of Polycyclic Aromatic Hydrocarbons (Pahs) In Coals Related To The Coal Rank And Origin, Susanne Laumann, Vesna Micic Batka, Michael A. Kruge, Christine Achten, Reinhard Sachsenhofer, Jan Schwarzbauer, Thilo Hofmann
Department of Earth and Environmental Studies Faculty Scholarship and Creative Works
The release of unburnt coal particles and associated polycyclic aromatic hydrocarbons (PAHs) may cause adverse impacts on the environment. This study assessed variations in the concentration and composition of PAHs in a set of fifty coal samples from eleven coal basins worldwide. The maximum PAH concentrations at high volatile bituminous rank were recorded in samples from a single basin. Considering the entire sample, the highest PAH concentrations were in fact found outside of this rank range, suggesting that the maceral composition and thus the coal's origin also influenced PAH concentrations. The examination of the PAH compositions revealed that alkylated 2-3 …
Optimization And Validation Of Direct Analysis In Real Time Mass Spectrometry (Dart-Ms) For Quantitation Of Sugars To Advance Biofuel Production, Daudi Sayialel Saang'onyo
Optimization And Validation Of Direct Analysis In Real Time Mass Spectrometry (Dart-Ms) For Quantitation Of Sugars To Advance Biofuel Production, Daudi Sayialel Saang'onyo
Online Theses and Dissertations
A direct analysis in real time mass spectrometry method was developed and validated for the analysis and quantitation of sugars that would be generated from pretreated and hydrolyzed switchgrass. This research aspect can be divided into two sections:
i) Literature Review: A review is presented on the status of energy security and how biomass and biofuels can be utilized as a source of transportation fuel. To this end, biomass (specifically switchgrass) can be broken down by pretreatment methods and then enzymatically hydrolyzed to simple sugars. These sugars can assist with algae growth that can eventually be converted into biofuels. …
High Resolution Hybrid Mass Spectrometry For The Determination Of Marine Biotoxins, Azaspiracids, And Their Biotransformation Products., Zuzana Skrabakova
High Resolution Hybrid Mass Spectrometry For The Determination Of Marine Biotoxins, Azaspiracids, And Their Biotransformation Products., Zuzana Skrabakova
Theses
Azaspiracids (AZAs), polyether marine toxins, are produced by marine microalgae and accumulate in filter-feeding bivalve molluscs, such as mussels, clams, oysters and scallops, while grazing on phytoplankton, from which they derive nutrition. Although being discovered quite recently, AZAs have caused several human intoxication events and thus became a problem for health authorities and shellfish industries. The rapid development of highly sensitive liquid chromatography multiple tandem mass spectrometry (LC-MS/MS, LC-MS") methods enabled the identification of numerous AZA analogues and added to the control of shellfish contamination. Tandem mass spectrometry techniques, while being highly selective and sensitive for determination of AZAs in …
Analysis Of Gaba And Glutamate In The Mouse Dorsal Striatum, Stella Wisidagamage
Analysis Of Gaba And Glutamate In The Mouse Dorsal Striatum, Stella Wisidagamage
Wayne State University Theses
ABSTRACT
ANALYSIS OF GABA AND GLUTAMATE IN MICE BRAIN
by
STELLA WISIDAGAMA
May 2011
Advisor: Dr. Tiffany Mathews
Major: Chemistry (Analytical)
Degree: Master of Science
GABA and glutamate are the predominant inhibitory and excitatory amino acid neurotransmitters in the central nervous system (CNS), respectively. However, their altered levels cause several neurological diseases including Parkinson's and Huntington's disease, schizophrenia, and epilepsy. It is important to measure their levels in the extra- and intracellular environments to better understand and develop improved therapeutics that will treat these neurological disorders. The principle aim of this study is to study the impacts of different endogenous …
Quality Characteristics Of Virgin Coconut Oil:Comparisons With Refined Coconut Oil, Fabian M. Dayrit, Ian Ken D. Dimzon, Melodina F. Valde, Jaclyn Elizabeth R. Santos, Mark Joseph Garrovillas, Blanca J. Villarino
Quality Characteristics Of Virgin Coconut Oil:Comparisons With Refined Coconut Oil, Fabian M. Dayrit, Ian Ken D. Dimzon, Melodina F. Valde, Jaclyn Elizabeth R. Santos, Mark Joseph Garrovillas, Blanca J. Villarino
Chemistry Faculty Publications
Virgin coconut oil (VCO) is a vegetable oil that is extracted from fresh coconut meat and is processed using only physical and other natural means. VCO was compared to refined, bleached, and deodorized coconut oil (RCO) using standard quality parameters, 31 P nuclear magnetic resonance (NMR) spectroscopy, and headspace solid-phase micro - extraction/gas chromatography mass spectrometry (SPME/GCMS). VCO tends to have higher free fatty acids (FFAs), moisture, and volatile matter and lower peroxide value than RCO. However, the range of values overlap and no single standard parameter alone can be 31 used to differentiate VCO from RCO. Using 31P NMR, …
Single Cell Analysis For The Characterization Of Cell Populations Using A Live Cell Array, Maureen Ann Walling
Single Cell Analysis For The Characterization Of Cell Populations Using A Live Cell Array, Maureen Ann Walling
Legacy Theses & Dissertations (2009 - 2024)
In the past decade, the shift from whole cell population analyses towards single cell measurement methods and techniques is based on experimental results that reveal significant levels of non-genetic heterogeneity in clonal cell populations. This heterogeneity manifests in multiple aspects of cell activity and is, in part, a result of stochastic noise in processes leading to gene expression, namely transcription and translation. The growing understanding of this occurrence has led to the development of methods to monitor and analyze heterogeneity for a more thorough description of cell populations and overall activity.
Advanced Statistical Methods For Biochemical And Forensic Applications Of Raman Spectroscopy, Vitali Sikirzhytski
Advanced Statistical Methods For Biochemical And Forensic Applications Of Raman Spectroscopy, Vitali Sikirzhytski
Legacy Theses & Dissertations (2009 - 2024)
This work is dedicated to the development and application of advanced statistical methods for biochemical and forensic applications of Raman spectroscopy. We developed a new concept of multidimensional Raman signatures for forensic identification of body fluid traces, which was successfully applied to the study of dried blood, semen, saliva, sweat and vaginal fluid stains. Several alternative advanced chemometric techniques were also successfully tested for the problems of pure body fluids discrimination and mixture analysis. Studies of body fluid mixtures with low blood and semen concentrations indicated that the detection limit of a minor contributor was as low as a few …
Accumulation, Speciation, And Distribution Of Metal(Loids) In Plants: Applications Of Synchrotron Techniques In Environmental Sciences, Hiram Castillo-Michel
Accumulation, Speciation, And Distribution Of Metal(Loids) In Plants: Applications Of Synchrotron Techniques In Environmental Sciences, Hiram Castillo-Michel
Open Access Theses & Dissertations
In the last two decades, synchrotron based techniques have gained popularity and been increasingly used in environmental sciences. The present dissertation has relied significantly in the use of synchrotron based techniques to study the speciation, coordination, and distribution of toxic metal(loids) in plants. This study included three plant species: Parkinsonia florida, Prosopis juliflora, and Zea mays. P. florida is a plant species native to the semi-desert regions of North America. The cultivation characteristics of this shrub/tree suggest that it could be used for phytoremediation purposes in semiarid regions. P. florida plants were tested for their capacity to remove arsenic (As) …
Quality Of Wastewater In The El Paso, Texas Region--Analysis Of Pharmaceuticals And Personal Care Products Using High Performance Liquid Chromatography Tandem Mass Spectrometry, Rodolfo Guerrero Jr.
Quality Of Wastewater In The El Paso, Texas Region--Analysis Of Pharmaceuticals And Personal Care Products Using High Performance Liquid Chromatography Tandem Mass Spectrometry, Rodolfo Guerrero Jr.
Open Access Theses & Dissertations
Pharmaceuticals and Personal Care Products (PPCPs), such as household cleaning materials, prescription medication, and personal hygiene products, are pollutants of emerging concern that are found in 80% of our water system. Because of their applications, PPCPs are subsequently being released into wastewater; however, current wastewater treatment facilities are not regulated or designed to remove PPCPs. Therefore, these compounds are discharged into the environment on a continual basis. The effects of PPCPs on human health are not yet well known; however, recent research has found that exposure to these chemicals has some adverse developmental effects on aquatic species at low concentrations …
Elastic Properties Of Poly(Vinyldene Fluoride) (Pvdf) Crystals: A Density Functional Theory Study, Yong Pei, Xiao Cheng Zeng
Elastic Properties Of Poly(Vinyldene Fluoride) (Pvdf) Crystals: A Density Functional Theory Study, Yong Pei, Xiao Cheng Zeng
Xiao Cheng Zeng Publications
We computed structural and elastic properties of totally nine phases of poly(vinyldene fluoride) (PVDF) crystals using the density-functional theory (DFT) method with and without inclusion of the dispersion corrections. In addition to the four known crystalline forms, mechanic properties of five theoretically predicted crystalline forms of PVDF are also investigated. The all-trans form Ip exhibits the largest cohesive energy, bulk, and Young’s modulus among the nine crystalline forms. The DFT calculations suggest that the δ crystalline forms (IIIau, IIIpu, IIIpd, and IIIad) possess poor chain rigidity among the nine PVDF …