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Articles 961 - 990 of 1559
Full-Text Articles in Chemistry
Analyses Of The Oncogenic Brafd594g Variant Reveal A Kinase-Independent Function Of Braf In Activating Mapk Signaling, Nicholas J. Cope, Borna Novak, Zhiwei Liu, Amber Y. Gunderwala, Matthew Connolly, Zhihong Wang
Analyses Of The Oncogenic Brafd594g Variant Reveal A Kinase-Independent Function Of Braf In Activating Mapk Signaling, Nicholas J. Cope, Borna Novak, Zhiwei Liu, Amber Y. Gunderwala, Matthew Connolly, Zhihong Wang
College of Science & Mathematics Departmental Research
Class 3 mutations in B-Raf proto-oncogene, Ser/Thr kinase (BRAF), that result in kinase-impaired or kinase-dead BRAF have the highest mutation frequency in BRAF gene in lung adenocarcinoma. Several studies have reported that kinase-dead BRAF variants amplify mitogen-activated protein kinase (MAPK) signaling by dimerizing with and activating WT C-Raf proto-oncogene, Ser/Thr kinase (CRAF). However, the structural and functional principles underlying their activation remain elusive. Herein, using cell biology and various biochemical approaches, we established that variant BRAFD594G, a kinase-dead representative of class 3 mutation-derived BRAF variants, has a higher dimerization potential as compared with WT BRAF. Molecular dynamics simulations uncovered that …
In Situ Monitoring Of Catalytic Molecular Transformations On Noble Metal Nanocatalysts Using Surface-Enhanced Raman Spectroscopy, Hui Wang, Qingfeng Zhang, Esteban Villarreal, Hao Jing, Kexun Chen
In Situ Monitoring Of Catalytic Molecular Transformations On Noble Metal Nanocatalysts Using Surface-Enhanced Raman Spectroscopy, Hui Wang, Qingfeng Zhang, Esteban Villarreal, Hao Jing, Kexun Chen
Journal of the South Carolina Academy of Science
Noble metal nanoparticles have long been of tremendous interest in the nanophotonics and nanocatalysis communities owing to their intriguing size- and shape-dependent plasmonic and catalytic properties. The combination of tunable plasmon resonances with superior catalytic activities on the same noble metal nanoparticle, however, has long been challenging because the research on nanoplasmonics and nanocatalysis deals with nanoparticles in two drastically different size regimes. While tunable plasmon resonances are a unique feature of metallic nanoparticles in the sub-wavelength size regime, heterogeneous catalysis requires the use of substrate-supported sub-5 nm nanoparticulate catalysts. In this mini-review article, we share with the readers several …
A Possible Unaccounted Source Of Atmospheric Sulfate Formation: Amine-Promoted Hydrolysis And Non-Radical Oxidation Of Sulfur Dioxide, Shixian Wang, Xiao Cheng Zeng, Hui Li, Joseph S. Francisco
A Possible Unaccounted Source Of Atmospheric Sulfate Formation: Amine-Promoted Hydrolysis And Non-Radical Oxidation Of Sulfur Dioxide, Shixian Wang, Xiao Cheng Zeng, Hui Li, Joseph S. Francisco
Xiao Cheng Zeng Publications
Numerous field and laboratory studies have shown that amines, especially dimethylamine (DMA), are crucial to atmospheric particulate nucleation. However, the molecular mechanism by which amines lead to atmospheric particulate formation is still not fully understood. Herein, we show that DMA molecules can also promote the conversion of atmospheric SO2 to sulfate. Based on ab initio simulations, we find that in the presence of DMA, the originally endothermic and kinetically unfavourable hydrolysis reaction between gaseous SO2 and water vapour can become both exothermic and kinetically favourable. The resulting product, bisulfite NH2(CH3)2+ ∙ HSO …
Analysis Of Organochlorine Pesticides Levels In Irrigation Water From Various Water Sources Across Egypt, Omar Tarek Khairy
Analysis Of Organochlorine Pesticides Levels In Irrigation Water From Various Water Sources Across Egypt, Omar Tarek Khairy
Theses and Dissertations
Organochlorine pesticides are extensively used in agriculture to cope with the world’s increasing population and demands for nutrition. This class of pesticides poses a serious risk to human health upon chronic exposure to elevated levels. Determination of organochlorine pesticides levels in water has been extensively covered in literature in Egypt and other parts of the world. The need for up-to date data and statistical information regarding the levels of organochlorine pesticides in water is ever increasing. These compounds, although a lot have been prohibited from use decades ago, can still be detected in trace levels in water due to their …
Redox Polymers Incorporating Pendant 6-Oxoverdazyl And Nitronyl Nitroxide Radicals, Michael Anghel, Francois Magnan, Sara D. Catingan, Matthew A. Mccready, Elaheh Aawani, Victor Wong, Deepa Singh, Giovanni Fanchini, Joe Gilroy
Redox Polymers Incorporating Pendant 6-Oxoverdazyl And Nitronyl Nitroxide Radicals, Michael Anghel, Francois Magnan, Sara D. Catingan, Matthew A. Mccready, Elaheh Aawani, Victor Wong, Deepa Singh, Giovanni Fanchini, Joe Gilroy
Chemistry Publications
Polymers comprised of redox-active organic radicals have emerged as promising materials for use in a variety of organic electronics, including fast-charging batteries. Despite these advances, relatively little attention has been focused on the diversification of the families of radicals that are commonly incorporated into polymer frameworks, with most radical polymers being comprised of nitroxide radicals. Here, we report two new examples prepared via ring-opening methathesis polymerization containing 6-oxoverdazyl and nitronyl nitroxide radicals appended to their backbones. The polymerization reaction and optoelectronic properties were explored in detail, revealing high radical content and redox activity that may be advantageous for their use …
Diverse N-Substituted Azole-Containing Amino Acids As Building Blocks For Cyclopeptides, Somayeh Motevalli, Michelle T. Nguyen, Jiacheng Tan, Amelia A. Fuller
Diverse N-Substituted Azole-Containing Amino Acids As Building Blocks For Cyclopeptides, Somayeh Motevalli, Michelle T. Nguyen, Jiacheng Tan, Amelia A. Fuller
Chemistry and Biochemistry
The preparation of 16 oxazole- or thiazole-containing amino esters bearing a wide array of N-substitution is reported. These were accessed in 40–92% yield via an AgClO4-promoted substitution reaction between a primary amine and a chloromethyl-functionalized thiazole or oxazole. These new synthetic building blocks will be useful for the preparation of new cyclopeptide analogues bearing heterocyclic backbone modifications. Four macrocyclic N-substituted oligoamides that include thiazole or oxazole heterocycles were obtained, following cyclooligomerization reactions of azole-modified N-substituted amino acids.
Nanoscale Colocalization Of Fluorogenic Probes Reveals The Role Of Oxygen Vacancies In The Photocatalytic Activity Of Tungsten Oxide Nanowires, Meikun Shen, Tianben Ding, Steven T. Hartman, Fudong Wang, Christina Krucylak, Zheyu Wang, Che Tan, Bo Yin, Rohan Mishra, Matthew D. Lew, Bryce Sadtler
Nanoscale Colocalization Of Fluorogenic Probes Reveals The Role Of Oxygen Vacancies In The Photocatalytic Activity Of Tungsten Oxide Nanowires, Meikun Shen, Tianben Ding, Steven T. Hartman, Fudong Wang, Christina Krucylak, Zheyu Wang, Che Tan, Bo Yin, Rohan Mishra, Matthew D. Lew, Bryce Sadtler
Electrical & Systems Engineering Publications and Presentations
Defect engineering is a strategy that has been widely used to design active semiconductor photocatalysts. However, understanding the role of defects, such as oxygen vacancies, in controlling photocatalytic activity remains a challenge. Here, we report the use of chemically triggered fluorogenic probes to study the spatial distribution of active regions in individual tungsten oxide nanowires using super-resolution fluorescence microscopy. The nanowires show significant heterogeneity along their lengths for the photocatalytic generation of hydroxyl radicals. Through quantitative, coordinate-based colocalization of multiple probe molecules activated by the same nanowires, we demonstrate that the nanoscale regions most active for the photocatalytic generation of …
Anoxic Conditions Maintained High Phosphorus Sorption In Humid Tropical Forest Soils, Yang Lin, Avner Gross, Christine S. O'Connell, Whendee L. Silver
Anoxic Conditions Maintained High Phosphorus Sorption In Humid Tropical Forest Soils, Yang Lin, Avner Gross, Christine S. O'Connell, Whendee L. Silver
Biology, Chemistry, and Environmental Sciences Faculty Articles and Research
The strong phosphorus (P) sorption capacity of iron (Fe) and aluminum (Al) minerals in highly weathered, acidic soils of humid tropical forests is generally assumed to be an important driver of P limitation to plants and microbial activity in these ecosystems. Humid tropical forest soils often experience fluctuating redox conditions that reduce Fe and raise pH. It is commonly thought that Fe reduction generally decreases the capacity and strength of P sorption. Here we examined the effects of 14 d oxic and anoxic incubations on soil P sorption dynamics in humid tropical forest soils from Puerto Rico. Contrary to the …
Air/Sea Transfer Of Highly Soluble Gases Over Coastal Waters, J. G. Porter, Warren J. De Bruyn, S. D. Miller, E. S. Saltzman
Air/Sea Transfer Of Highly Soluble Gases Over Coastal Waters, J. G. Porter, Warren J. De Bruyn, S. D. Miller, E. S. Saltzman
Biology, Chemistry, and Environmental Sciences Faculty Articles and Research
The deposition of soluble trace gases to the sea surface is not well studied due to a lack of flux measurements over the ocean. Here we report simultaneous air/sea eddy covariance flux measurements of water vapor, sulfur dioxide (SO2), and momentum from a coastal North Atlantic pier. Gas transfer velocities were on average about 20% lower for SO2 than for H2O. This difference is attributed to the difference in molecular diffusivity between the two molecules (D SO 2/D H 2O = 0.5), in reasonable agreement with bulk parameterizations in air/sea gas …
Granulins Modulate Liquid-Liquid Phase Separation And Aggregation Of Prion-Like C-Terminal Domain Of The Neurodegeneration-Associated Protein Tdp-43, Anukool A. Bhopatkar, Vladimir N. Uversky, Vijay Rangachari
Granulins Modulate Liquid-Liquid Phase Separation And Aggregation Of Prion-Like C-Terminal Domain Of The Neurodegeneration-Associated Protein Tdp-43, Anukool A. Bhopatkar, Vladimir N. Uversky, Vijay Rangachari
Faculty Publications
Tar DNA binding protein 43 (TDP-43) has emerged as a key player in many neurodegenerative pathologies including frontotemporal lobar degeneration (FTLD) and amyotrophic lateral sclerosis (ALS). Hallmarks of both FTLD and ALS are the toxic cytoplasmic inclusions of the prion-like C-terminal fragments of TDP-43 (TDP-43 CTD), formed upon proteolytic cleavage of full-length TDP-43 in the nucleus and subsequent transport to the cytoplasm. Both full-length TDP-43 and its CTD are also known to form stress granules (SGs) by coacervating with RNA in the cytoplasm during stress and may be involved in these pathologies. Furthermore, mutations in PGRN gene, leading to haploinsufficiency …
Enhancing Protein Electrospray Charge States By Multivalent Metal Ions: Mechanistic Insights From Md Simulations And Mass Spectrometry Experiments., Leanne M Martin, Lars Konermann
Enhancing Protein Electrospray Charge States By Multivalent Metal Ions: Mechanistic Insights From Md Simulations And Mass Spectrometry Experiments., Leanne M Martin, Lars Konermann
Chemistry Publications
The structure and reactivity of electrosprayed protein ions is governed by their net charge. Native proteins in non-denaturing aqueous solutions produce low charge states. More highly charged ions are formed when electrospraying proteins that are unfolded and/or exposed to organic supercharging agents. Numerous studies have explored the electrospray process under these various conditions. One phenomenon that has received surprisingly little attention is the charge enhancement caused by multivalent metal ions such as La3+ when electrospraying proteins out of non-denaturing solutions. Here, we conducted mass spectrometry and ion mobility spectrometry experiments, in combination with molecular dynamics (MD) simulations, to uncover …
Correlation Between Ocean Acidification And Zooplankton In The South Pacific Gyre, Samuel Noonan, Rachel Scudder
Correlation Between Ocean Acidification And Zooplankton In The South Pacific Gyre, Samuel Noonan, Rachel Scudder
DU Undergraduate Research Journal Archive
The South Pacific Gyre is a naturally occurring carbon sink, meaning that it absorbs atmospheric carbon dioxide by dissolving it into the moving surface water. The dissolution of CO2 level will dictate the water’s acidic levels a larger the concentration of dissolved CO2 is known to increase the salt water’s acidity. A great amount of the ocean’s biomass is composed of calcifying organisms, which produce tests or shells made from calcium carbonate CaCO3.The goal of our project is to determine if there is a correlation between the water acidity across various locations, as we sailed through the South Pacific gyre …
Controlling The Morphology Of Copper-Silica Nanocomposites From Laser Ablation In Liquid, Mallory John, Katharine M. Tibbetts
Controlling The Morphology Of Copper-Silica Nanocomposites From Laser Ablation In Liquid, Mallory John, Katharine M. Tibbetts
Chemistry Publications
No abstract provided.
Dissociation Of Singly And Multiply Charged Nitromethane Cations: Femtosecond Laser Mass Spectrometry And Theoretical Modeling, G. L. Gutsev, S. L. Mcpherson, Hugo A. López Peña, Derrick Ampadu Boateng, L. G. Gutsev, B. R. Ramachandran, Katharine M. Tibbetts
Dissociation Of Singly And Multiply Charged Nitromethane Cations: Femtosecond Laser Mass Spectrometry And Theoretical Modeling, G. L. Gutsev, S. L. Mcpherson, Hugo A. López Peña, Derrick Ampadu Boateng, L. G. Gutsev, B. R. Ramachandran, Katharine M. Tibbetts
Chemistry Publications
Dissociation pathways of singly- and multiply charged gas-phase nitromethane cations were investigated with strong-field laser photoionization mass spectrometry and density functional theory computations. There are multiple isomers of the singly charged nitromethane radical cation, several of which can be accessed by rearrangement of the parent CH3–NO2 structure with low energy barriers. While direct cleavage of the C–N bond from the parent nitromethane cation produces NO2+ and CH3+, rearrangement prior to dissociation accounts for fragmentation products including NO+, CH2OH+, and CH2NO+. Extensive Coulomb explosion in fragment ions observed at high laser intensity indicates that rapid dissociation of multiply charged nitromethane cations …
Investigation Of Coherent Charge Transfer In Transition Metal Dichalcogenide Heterostructures With Multiresonant Coherent Multidimensional Spectroscopy, Darien J. Morrow
Investigation Of Coherent Charge Transfer In Transition Metal Dichalcogenide Heterostructures With Multiresonant Coherent Multidimensional Spectroscopy, Darien J. Morrow
Link Foundation Energy Fellowship Reports
Photovoltaic solar cells convert sunlight into electricity by using material heterojunctions to facilitate separation of photo-excited charges in order to generate a current. Understanding and optimizing the efficiency of charge separation at the quantum mechanical level defines the future of the solar energy landscape and its impact on society. In the past decade, new charge separation mechanisms have been researched in heterostructures of layered 2D materials which facilitate ultrafast charge transfer and separation (see Figure 1a).[1, 2] Theoreticians have studied the mechanism of ultrafast transfer in these 2D materials and predict ultrafast transfer occurs by electrons collectively flowing back-and-forth between …
Developing High-Capacity Rechargeable Batteries Based On Lithium-Sulfur Chemistry, Yiren Zhong
Developing High-Capacity Rechargeable Batteries Based On Lithium-Sulfur Chemistry, Yiren Zhong
Link Foundation Energy Fellowship Reports
The development of portable and transportation applications, such as the booming electrical vehicles, heavily relies on high-energy battery technologies. As the current Li-ion batteries approach the energy storage limit, the new battery chemistry that promises higher theoretical energy density should be pursued.1 Lithium-sulfur (Li-S) batteries use light-weight lithium as the anode and low-cost sulfur as the cathode and ether-based solution as the electrolyte. With the chemical conversion reaction of 16 Li + S8 ↔ 8 Li2S, Li-S batteries can provide a theoretical specific energy (2600 Wh/kg), 5 times over that of current Li-ion batteries.2, 3 Practical Li-S batteries require a …
5-Methyl-4-(5-Methyl-3-Oxo-2-Phenyl-2,3-DiHydro-1h-Pyrazol-4-Yl)-2-Phenyl-1h-Pyrazol-3(2h)-One, Gregory Powell, Brad Rix
5-Methyl-4-(5-Methyl-3-Oxo-2-Phenyl-2,3-DiHydro-1h-Pyrazol-4-Yl)-2-Phenyl-1h-Pyrazol-3(2h)-One, Gregory Powell, Brad Rix
Chemistry and Biochemistry
No abstract provided.
Magnetic Hyperthermia For Cancer Treatment, Çiğdem Elif Demirci Dönmez, Adem Dönmez
Magnetic Hyperthermia For Cancer Treatment, Çiğdem Elif Demirci Dönmez, Adem Dönmez
Science and Mathematical Science
The obtained results in this study clearly indicates the enhancing effect of polymer coating on hyperthermia efficiency. In a very recent study, the efficiency of the niclosamide-loaded hyperbranched polymerfunctionalized magnetic nanoparticles on mediated hyperthermia and niclosamide (an anticancer drug) bimodel therapy were investigated. The results in this study indicated that polymerfunctionalized nanoparticles showed sufficient temperature gain for magnetic hyperthermia.
Use Of Confocal Raman Microscopy To Characterise Ethyl Cyanoacrylate Adhesive Depth Curing, Kevin Raheem, John Cassidy, Tony Betts, Bernard Ryan
Use Of Confocal Raman Microscopy To Characterise Ethyl Cyanoacrylate Adhesive Depth Curing, Kevin Raheem, John Cassidy, Tony Betts, Bernard Ryan
Articles
In situ spatial temporal measurement of monomer conversion during adhesive bondline curing remains a challenging area. The aim of this work was to demonstrate the effectiveness of using confocal Raman microscopy in a specially configured experimental set-up, as a versatile tool for measuring monomer concentration changes as a function of both time and adhesive bond depth during ethyl cyanoacrylate polymerisation. This also allowed monitoring of the extent of polymerisation at the adhesive substrate interface independently of the bulk bondline polymerisation region. Key kinetic parameters such as inhibition time tlag, rate of reaction Rmax and extent of reaction [at]max were obtained …
Outstanding Reviewers For Analyst In 2019, Royal Society Of Chemistry
Outstanding Reviewers For Analyst In 2019, Royal Society Of Chemistry
Articles
We would like to take this opportunity to thank all of Analyst's reviewers, and in particular highlight the Outstanding Reviewers for the journal in 2019, as selected by the editorial team for their significant contribution to Analyst. We announce our Outstanding Reviewers annually and each receives a certificate to give recognition for their contribution. The reviewers have been chosen based on the number, timeliness and quality of the reports completed over the last 12 months.
Protein Structural Comparison Between Covid-19 And Other Coronaviruses, Vanessa Colmenares
Protein Structural Comparison Between Covid-19 And Other Coronaviruses, Vanessa Colmenares
Seton Hall Biochemistry II Annals of Student Reviews
The recent emergence of the novel coronavirus disease of 2019 (COVID-19) in Wuhan, China and its rapid spread across the world has posed a global health emergency. Scientists and researchers across the world are working together to improve the methods of detection and generate a vaccine that will cure the disease. However, in order to develop therapeutic strategies and techniques for the treatment of COVID-19, the structure of SARS-CoV-2 must be entirely scrutinized and comprehended. This review illustrates the similarities and differences between SARS-CoV-2 and other coronaviruses, while also indicating why the development of this lethal viral RNA can only …
Species Specificity And Cross-Species Transition In Relation To Sars-Cov-2 Spike Proteins, Edrice Sediq
Species Specificity And Cross-Species Transition In Relation To Sars-Cov-2 Spike Proteins, Edrice Sediq
Seton Hall Biochemistry II Annals of Student Reviews
Coronaviruses are known as envelope RNA viruses that are able to infect and manifest disease in various avian and mammalian species. They have the ability to participate in cross-species transmission as seen in the human coronavirus, Severe Acute Respiratory Syndrome Coronavirus (SARS-CoV) in 2002. The most recent emergence of a novel coronavirus, SARS-CoV-2, has entered the world and presents similarities to known human coronaviruses. Mechanisms of viral entry and receptor interactions are key to understanding the process of transmission. Further elaboration will be presented on cross-species transmission and the role of viral proteins in spreading the virus.
Mechanism Of Interaction Between Sars-Cov-2 Spike Protein And Human Cell Receptors On Cell Membranes, Akilah Manteen
Mechanism Of Interaction Between Sars-Cov-2 Spike Protein And Human Cell Receptors On Cell Membranes, Akilah Manteen
Seton Hall Biochemistry II Annals of Student Reviews
COVID-19, a recently established global pandemic, is linked to infection by the SARS-CoV-2 virus. This virus shares many structural similarities to the SARS-CoV virus that was responsible for the 2003-2004 SARS outbreak1.SARS-CoV-2 (thought to be a -coronavirus of B lineage2) is responsible for causing COVID-19 and shares many similarities to other viruses in the coronavirus family. Coronavirus comprise the Coronavirinae subfamily, which exists within the Coronaviridae family of the Nidovirales order3. Coronavirinae make up the largest of viruses, being approximately 30 kilobases long, and contain positive-sense RNA strands enveloped in a nucleocapsid (unusual for positive-sense RNA)4. The spike protein (S) …
A Review Of The Current Testing Methods For Sars-Cov-2 In The Us, Joshua Korn-Heilner
A Review Of The Current Testing Methods For Sars-Cov-2 In The Us, Joshua Korn-Heilner
Seton Hall Biochemistry II Annals of Student Reviews
On March 11th 2020, the WHO classified the Covid-19 out-break as a pandemic1. As of May 10th 2020, according the WHO Situation Report-111, there are 3,917,366 confirmed cases of Covid-19 with 274,361 deaths globally2. The estimated basic reproduction number for Covid-19 is 2.2, meaning on average a person with the disease will infect 2 other people3. As of the date this paper was written, there are no conclusive methods of treatment, nor a vaccine for Covid-194. It is because of this that, arguably, the most effective policy to preventing deaths, harm, and extending isolation policies, is with mass tracking of …
Potential Drugs And Therapies To Treat Covid-19 And Other Related Coronaviruses, Emily Borland
Potential Drugs And Therapies To Treat Covid-19 And Other Related Coronaviruses, Emily Borland
Seton Hall Biochemistry II Annals of Student Reviews
The novel coronavirus that has recently emerged in Wuhan, China with probable bat origin is part of the betacoronavirus family which is similar to previously seen zoonotic based out breaks in the early 2000’s with SARS as well as in 2012 with MERS1. COVID-19 is the disease obtained from being infected by the novel SARS-CoV-2 virus, which enters through ACE2 (angiotensin-converting enzyme 2) cell receptors which is similar to SARS-CoV and MERS-CoV uses the DDP4 (dipeptidyl peptidase 4) cell receptor1. SARS-CoV-2 shares approximately 80% of its genomic identity with SARS-CoV2. Currently, there is a lot research being conducted to understand …
Synthesis Of Unsymmetrical Bidentate Ligands From Secondary Phosphine Oxides, Malachy J. Brink, Ryan Anderson
Synthesis Of Unsymmetrical Bidentate Ligands From Secondary Phosphine Oxides, Malachy J. Brink, Ryan Anderson
Student Research, Papers, and Creative Works
Stereochemistry is a key component in the field of asymmetric catalysis. The properties of a molecule can be drastically changed with the change of one stereocenter. Typically, chirality is imparted to a metal by the ligand. "Chiral-at-metal" compounds are unique because the metal complex is chiral, but the ligands are not. Phosphine ligands are notoriously difficult to work with (pyrophoric, toxic, prone to oxidation). The goal of this research was to prepare unsymmetrical bidentate ligands using secondary phosphine oxides, which are air-stable and easy to handle on the benchtop.
Water-Mediated Peptide Bond Formation In The Gas Phase: A Model Prebiotic Reaction, George C. Shields, Ariel Gale, Tuguldur T. Odbadrakh, Tyler Ball
Water-Mediated Peptide Bond Formation In The Gas Phase: A Model Prebiotic Reaction, George C. Shields, Ariel Gale, Tuguldur T. Odbadrakh, Tyler Ball
Chemistry Publications
The emergence of life on the prebiotic Earth must have involved the formation of polypeptides, yet the polymerization of amino acids is thermodynamically unfavorable under biologically relevant aqueous conditions because amino acids are zwitterions in solution and because of the production of a water molecule through a condensation reaction. Many mechanisms for overcoming this thermodynamic unfavorability have been proposed, but the role of gas phase water clusters has not been investigated. We present the thermodynamics of the water-mediated gas phase dimerization reaction of glycine as a model for the atmospheric polymerization of amino acids prior to the emergence of biological …
A Proposed Mechanism To Induce Multi-Layer Polydiacetylene-Coated Filter Color Response To Bacteria , Timothy Hanks
A Proposed Mechanism To Induce Multi-Layer Polydiacetylene-Coated Filter Color Response To Bacteria , Timothy Hanks
Chemistry Publications
The purpose of this study was to develop a multi-layer diacetylene (PDA)-coated filter and to verify the proposed color response mechanism of PDA-coated filters to bacteria. Unlike other reports which immobilize PDA lipo- somes on solid support or create monolayer Langmuir films, multi-layer PDA-coated filters were generated by directly evaporating organic solvents. Different from incorporating functional headgroups or inserting phospho- lipids into PDA, we reported that bacterial growth can trigger the color change of PDA sensors without any mod- ification or phospholipid insertion. The mechanism that pH change from bacteria metabolites lead to color change of PDA filter was proposed …
Particle Formation And Surface Processes On Atmospheric Aerosols: A Review Of Applied Quantum Chemical Calculations, George C. Shields, Ariel Gale, Tyler Ball, Tuguldur T. Odbadrakh, Angelini Leonardi, Heather M. Ricker, Juan G. Navea
Particle Formation And Surface Processes On Atmospheric Aerosols: A Review Of Applied Quantum Chemical Calculations, George C. Shields, Ariel Gale, Tyler Ball, Tuguldur T. Odbadrakh, Angelini Leonardi, Heather M. Ricker, Juan G. Navea
Chemistry Publications
Aerosols significantly influence atmospheric processes such as cloud nucleation, het- erogeneous chemistry, and heavy-metal transport in the troposphere. The chemical and physical complexity of atmospheric aerosols results in large uncertainties in their climate and health effects. In this article, we review recent advances in scientific understanding of aerosol processes achieved by the application of quantum chemical calculations. In particular, we emphasize recent work in two areas: new particle for- mation and heterogeneous processes. Details in quantum chemical methods are pro- vided, elaborating on computational models for prenucleation, secondary organic aerosol formation, and aerosol interface phenomena. Modeling of relative humidity effects, …
Twenty Years Of Exceptional Success: The MOlecular EDucation And REsearch COnsortium In UNdergraduate Computational ChemistRy (Mercury)” , George C. Shields
Twenty Years Of Exceptional Success: The MOlecular EDucation And REsearch COnsortium In UNdergraduate Computational ChemistRy (Mercury)” , George C. Shields
Chemistry Publications
The molecular education and research consortium in undergraduate computational chemistry (MERCURY) consortium, established in 2000, has contributed greatly to the scientific development of faculty and undergraduates. The MERCURY faculty peer-reviewed publication rate from 2001 to 2019 of 1.7 papers/faculty/year is 3.4 times the rate of the physical science faculty at primarily undergraduate institutions. We have worked with over 1000 students on research projects since 2001, and 75% of our undergraduate research students have been under-represented in chemistry, either female or students of color. Approximately half of our alumni attend graduate school for the purpose of obtaining advanced degrees in STEM …