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Articles 1 - 30 of 77
Full-Text Articles in Chemistry
Properties Of New York/New Jersey Harbor Sediments, K. W. Jones, Huan Feng, E. A. Stren, U. Neuhäusler, J. Osán, N. Marinkovic, Z. Song
Properties Of New York/New Jersey Harbor Sediments, K. W. Jones, Huan Feng, E. A. Stren, U. Neuhäusler, J. Osán, N. Marinkovic, Z. Song
Huan Feng
Sediments found in waterways around the world may contain toxic compounds of anthropogeilic origin that can harm the environment and human health. As a result, it is often necessary to remove them and find disposal methods that are environmentally and economically acceptable. Here, we report on results obtained in an experimental program to characterize the nature of the sediment contamination. The objective was to gain a better understanding of the properties of the sediments to develop better methods for understanding the fate and transport of the contaminants and for improving methods for their removal from the sediments. Our investigations made …
Urban Environmental Pollution 2010: Trace Metal Dispersion In Soil From Auto-Mechanic Village To Urban Residential Areas In Owerri, Nigeria, Michael A. Nwachukwu, Huan Feng, Jude Alinnor
Urban Environmental Pollution 2010: Trace Metal Dispersion In Soil From Auto-Mechanic Village To Urban Residential Areas In Owerri, Nigeria, Michael A. Nwachukwu, Huan Feng, Jude Alinnor
Huan Feng
Due to poor waste management in mechanic villages (MVs), average metal concentration (mgkg-1) is Pb 1162±572; Mn 864±531; Cu 385±202; Fe 49259±4770; Cd 20±13; Zn 824±190; and Ni 40±35, causing ecological and public health risks in parts of Nigeria. Average metal dispersion (mgkg-1/m) from MVs to residential areas was estimated at 9.2 for Pb; 6.7 for Mn; 6.1 for Zn; 1.5 for Cu; 197 for Fe; 0.3 for Ni; and 0.04 for Cd. This represents a mobility order of Fe>Pb>Mn>Zn>Cu>Ni>Cd, and a pollution order of Pb>Ni>Mn>Zn>Fe>Cu>Cd. MV advantages …
Magnetic Mineral Diagenesis In The River‐Dominated Inner Shelf Of The East China Sea, China, Can Ge, Weiguo Zhang, Chenyin Dong, Yan Dong, Jinyan Liu, Nguyen Thi Thu Hien, Huan Feng, Lizhong Yu
Magnetic Mineral Diagenesis In The River‐Dominated Inner Shelf Of The East China Sea, China, Can Ge, Weiguo Zhang, Chenyin Dong, Yan Dong, Jinyan Liu, Nguyen Thi Thu Hien, Huan Feng, Lizhong Yu
Huan Feng
The inner shelf of the East China Sea is a river-dominated margin characterized by fine-grained mud deposits and a rapid sedimentation rate. Three short sediment cores (similar to 2.7m in length) were examined to characterize spatial variations in magnetic mineral diagenesis. The sediment cores were analyzed for sedimentation rates, magnetic properties, particle size distribution, organic carbon, and total sulfur content. The two more proximal cores with higher sedimentation rates (similar to 2.2cm/yr and similar to 0.96cm/yr) do not exhibit obvious effects of reductive dissolution of magnetite with increasing depth, which is consistent with their lower total sulfur content. The offshore …
Optimization Of Magnetic Powdered Activated Carbon For Aqueous Hg(Ii) Removal And Magnetic Recovery, Emily K. Faulconer, Natalia Hoogesteijn Von Reitzenstein, David W. Mazyck
Optimization Of Magnetic Powdered Activated Carbon For Aqueous Hg(Ii) Removal And Magnetic Recovery, Emily K. Faulconer, Natalia Hoogesteijn Von Reitzenstein, David W. Mazyck
Emily Faulconer
Activated carbon is known to adsorb aqueous Hg(II). MPAC (magnetic powdered activated carbon) has the potential to remove aqueous Hg to less than 0.2 mg/L while being magnetically recoverable. Magnetic recapture allows simple sorbent separation from the waste stream while an isolated waste potentially allows for mercury recycling. MPAC Hg-removal performance is verified by mercury mass balance, calculated by quantifying adsorbed, volatilized, and residual aqueous mercury. The batch reactor contained a sealed mercury-carbon contact chamber with mixing and constant N2(g) headspace flow to an oxidizingtrap. Mercury adsorption was performed using spiked ultrapure water (100 mg/L Hg). Mercury concentrations …
Call For Abstracts - Resrb 2019, July 8-9, Wrocław, Poland, Wojciech M. Budzianowski
Call For Abstracts - Resrb 2019, July 8-9, Wrocław, Poland, Wojciech M. Budzianowski
Wojciech Budzianowski
No abstract provided.
Determination Of Optical Properties Of Secondary Organic Aerosols Using Uv-Vis Spectroscopy, Vanessa Selimovic, Matthew E. Wise, John Shilling
Determination Of Optical Properties Of Secondary Organic Aerosols Using Uv-Vis Spectroscopy, Vanessa Selimovic, Matthew E. Wise, John Shilling
Matthew E. Wise
- Aerosols interact differently with the atmosphere depending on:
- Composition
- Size
- Phase
- Reactivity
- Optical Properties
- Reactivity with atmosphere determines impact on Earth’s radiative budget
[excerpt]
Digital Fabrication Of An Atmospheric Aerosol Impactor, Stefan J. Vincent, Shawn Daley, Matthew E. Wise
Digital Fabrication Of An Atmospheric Aerosol Impactor, Stefan J. Vincent, Shawn Daley, Matthew E. Wise
Matthew E. Wise
Atmospheric aerosol (AA) particles are defined as solid or liquid particles suspended in the air. AA particles smaller than 10 μm (1x10-5 meters) in diameter are small enough to bypass the upper respiratory system which functions as a filter for harmful substances entering the lungs. AA particles can be collected using a device called an aerosol impactor. After collection, the particles can be analyzed offline for chemical composition using a variety of analytical techniques. The weight of a commercially manufactured AA particle impactor poses an issue if it is attached to a mobile AA particle sampling platform such as …
A Realistic Meteorological Assessment Of Perennial Biofuel Crop Deployment: A Southern Great Plains Perspective, Melissa Wagner, Meng Wang, Gonzalo Miguez-Macho, Jesse Miller, Andy Vanloocke, Justin E. Bagley, Carl J. Bernacchi, Matei Georgescu
A Realistic Meteorological Assessment Of Perennial Biofuel Crop Deployment: A Southern Great Plains Perspective, Melissa Wagner, Meng Wang, Gonzalo Miguez-Macho, Jesse Miller, Andy Vanloocke, Justin E. Bagley, Carl J. Bernacchi, Matei Georgescu
Andy VanLoocke
Utility of perennial bioenergy crops (e.g., switchgrass and miscanthus) offers unique opportunities to transition toward a more sustainable energy pathway due to their reduced carbon footprint, averted competition with food crops, and ability to grow on abandoned and degraded farmlands. Studies that have examined biogeophysical impacts of these crops noted a positive feedback between near-surface cooling and enhanced evapotranspiration (ET), but also potential unintended consequences of soil moisture and groundwater depletion. To better understand hydrometeorological effects of perennial bioenergy crop expansion, this study conducted high-resolution (2-km grid spacing) simulations with a state-of-the-art atmospheric model (Weather Research and Forecasting system) dynamically …
Ryan Caylor, Ryan Caylor
Ryan Caylor, Ryan Caylor
Matthew E. Wise
Avery Hong, Avery Hong
Avery Hong, Avery Hong
Matthew E. Wise
Stefan Vincent, Stefan Vincent
Stefan Vincent, Stefan Vincent
Matthew E. Wise
Cole Crosby, Cole Crosby
Cole Crosby, Cole Crosby
Matthew E. Wise
Determination Of The Optical Properties Of Secondary Organic Aerosol Particles, Matthew E. Wise, John Shilling, Felisha Imholt, Ryan Caylor
Determination Of The Optical Properties Of Secondary Organic Aerosol Particles, Matthew E. Wise, John Shilling, Felisha Imholt, Ryan Caylor
Matthew E. Wise
The enhanced greenhouse effect is currently considered to be our most important global environmental problem. While the magnitude of radiation absorbed by greenhouse gases is known to a high certainty, the absorption of radiation by atmospheric aerosol particles is not. In the initial Visiting Faculty Program application, we proposed the use of an ultraviolet-visible (UV/Vis) spectrometer equipped with a liquid waveguide capillary flow cell to determine the extent to which secondary organic aerosol particles (SOA) absorb visible light. Early in the research period, the UV/Vis technique was optimized for three solvent systems (methanol, water and 0.1 M hydrochloric acid). Using …
Determination Of Total Peroxide Content In Secondary Organic Aerosol Particles, Matthew E. Wise, John Shilling, Ryan Caylor
Determination Of Total Peroxide Content In Secondary Organic Aerosol Particles, Matthew E. Wise, John Shilling, Ryan Caylor
Matthew E. Wise
Secondary organic aerosol particles (SOA) formed from the oxidation of monoterpenes can impact the Earth’s radiation balance, act as cloud condensation nuclei and negatively affect human health. In the initial Visiting Faculty Program application, we proposed the use of an ultraviolet-visible spectrometer equipped with a liquid waveguide capillary flow cell to determine the extent to which SOA absorb visible light. The inclusion of Concordia University in the Secondary Organic Aerosol From Forest Emissions Experiment (SOAFFEE) laboratory campaign at PNNL necessitated a change in the proposed experiments. An iodometric-spectrophotometric (IS) technique was developed to quantify the total peroxide content in SOA. …
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
Albert Fratini
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.
Vanessa Selimovic, Vanessa Selimovic
Vanessa Selimovic, Vanessa Selimovic
Matthew E. Wise
Felisha Imholt, Felisha Imholt
Felisha Imholt, Felisha Imholt
Matthew E. Wise
Peroxide Content Of Secondary Organic Aerosol, Ryan Caylor, Matthew E. Wise, John Shilling
Peroxide Content Of Secondary Organic Aerosol, Ryan Caylor, Matthew E. Wise, John Shilling
Matthew E. Wise
C–N Bond Rotation And E–Z Isomerism In Some N-Benzyl-N-Methylcarbamoyl Chlorides: A Dft Study, Michael Horwath, Vladimir Benin
C–N Bond Rotation And E–Z Isomerism In Some N-Benzyl-N-Methylcarbamoyl Chlorides: A Dft Study, Michael Horwath, Vladimir Benin
Vladimir Benin
The current report presents the first theoretical study of the restricted CN bond rotation in carbamoyl chlorides. Several N-benzyl-N-methylcarbamoyl chlorides were investigated, with varying pattern of substitution in the aromatic ring. Optimizations and frequency calculations were conducted employing DFT at the B3LYP/6-31+G(d) level of theory. Each of the studied structures exhibits a pair of rotamers (s-Z and s-E), generated upon rotation around the C(O)N bond. The s-E isomer is the global minimum in every case, but the preference for it is usually less than 1 kcal/mol. Two possible transition state structures were identified for the rotamer interconversion: TSsyn and TSanti, …
Preparation And Characterization Of Some Substituted Benzyl N-Nitrosocarbamates Containing An N-2-(Methylthio)Ethyl Or A Bis(2-Aminoethyl)Sulfide Functionality, Satya Venkata, Eric Shamo, Vladimir Benin
Preparation And Characterization Of Some Substituted Benzyl N-Nitrosocarbamates Containing An N-2-(Methylthio)Ethyl Or A Bis(2-Aminoethyl)Sulfide Functionality, Satya Venkata, Eric Shamo, Vladimir Benin
Vladimir Benin
The synthesis and characterization of some substituted benzyl N-nitrosocarbamates with an N-2-(methylthio)ethyl or a bis(2-aminoethyl)sulfide functionality is reported, as a part of a long-term goal to design and prepare novel photolabile structures that could be used as substances for controlled release of alkylating and/or crosslinking agents. The synthesis was accomplished by reaction of benzyl chloroformates with the corresponding amines, resulting in the preparation of carbamates. The latter were subsequently nitrosated, utilizing two different N-nitrosation methods, to yield the target structures.
The Tetrafluoroborate Salt Of 4-Methoxybenzyl N-2-(Dimethylamino)Ethyl-N-Nitrosocarbamate: Synthesis, Crystal Structure And Dft Calculations, Helene Hedian, Vladimir Benin
The Tetrafluoroborate Salt Of 4-Methoxybenzyl N-2-(Dimethylamino)Ethyl-N-Nitrosocarbamate: Synthesis, Crystal Structure And Dft Calculations, Helene Hedian, Vladimir Benin
Vladimir Benin
The tetrafluoroborate salt of 4-methoxybenzyl N-2-(dimethylamino)ethyl-N-nitrosocarbamate was prepared in two steps, via the corresponding carbamate. Its crystal structure is monoclinic, space group P21/c. The unit cell dimensions are: a = 19.499(8) Å, b = 5.877(3) Å, c = 15.757(7) Å, α = 90°, β = 110.019(7)°, γ = 90°, V = 1696.5(12) Å3, Z = 4. The structure exhibits an unexpected, pseudo-gauche conformation with respect to the C2–C3 bond, due to a stabilizing hydrogen bond between the carbonyl oxygen (O1) and the hydrogen atom at the trialkylammonium center (H3n), with a distance between them of 2.37 Å. DFT calculations on …
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
Vladimir Benin
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.
Secondary N-Nitrosocarbamate Anions: Structure And Alkylation Reactions. A Dft Study, Vladimir Benin
Secondary N-Nitrosocarbamate Anions: Structure And Alkylation Reactions. A Dft Study, Vladimir Benin
Vladimir Benin
The current article reports theoretical studies (DFT: B3LYP/6-31+G(d)) on the structure and alkylation reactions of the anions of some secondary N-nitrosocarbamates, a class of ambident nucleophiles whose chemistry has been little explored. Several anions (1–4), with an increasing size of the carbamate alkyl (aryl) group were investigated, in an attempt to establish the influence of the size of that group on the thermal stability and regioselectivity of alkylation of the title anions. The conclusion is that thermal stability and the mode of reaction are affected significantly only in the presence of very large and branched carbamate groups. The thermal decomposition …
Preparation Of Phosphonoterephthalic Acids Via Palladium-Catalyzed Coupling Of Aromatic Iodoesters, Nathaniel Ivan, Vladimir Benin, Alexander Morgan
Preparation Of Phosphonoterephthalic Acids Via Palladium-Catalyzed Coupling Of Aromatic Iodoesters, Nathaniel Ivan, Vladimir Benin, Alexander Morgan
Vladimir Benin
The current article reports in detail the preparation of two phosphonoterephthalic acids: 2-phosphonoterephthalic acid (1) and 2,5-diphosphonoterephthalic acid (2). Efficient, scalable syntheses have been developed for both compounds based on Pd-catalyzed coupling reactions of iodinated terephthalate esters. Phosphonoterephthalic acids are potentially useful as flame-retardant additives or as monomers for the construction of acid-pendant polymer chains.
Preparation Of Some Substituted Terephthalic Acids, Susanna Branion, Vladimir Benin
Preparation Of Some Substituted Terephthalic Acids, Susanna Branion, Vladimir Benin
Vladimir Benin
We report in detail the preparation of two substituted terephthalic acids: 2‐sulfomethylterephthalic acid (1) and 2‐phosphonoterephthalic acid (2). Efficient, short syntheses have been developed for both compounds. They are potentially useful monomers for construction of acid‐pendant polymer chains.
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
Vladimir Benin
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 attributed the …
Synthesis And Flammability Testing Of Epoxy Functionalized Phosphorous-Based Flame Retardants, Vladimir Benin, Xuemei Cui, Alexander Morgan, Karl Seiwert
Synthesis And Flammability Testing Of Epoxy Functionalized Phosphorous-Based Flame Retardants, Vladimir Benin, Xuemei Cui, Alexander Morgan, Karl Seiwert
Vladimir Benin
Several potential new phosphorus-containing flame retardant molecules were evaluated for heat release reduction potential by incorporation of the molecules into a polyurethane, generated from methylene diphenyl diisocyanate and 1,3-propane diol. The heat release reduction potential of these substances was evaluated using the pyrolysis combustion flow calorimeter (PCFC). The polyurethanes were prepared in the presence of the potential flame retardants via solvent mixing and copolymerization methods to qualitatively evaluate their potential reactivity into the polyurethane prior to heat release testing. The functionality of the flame retardants was epoxide based that would potentially react with the diol during polyurethane synthesis. Flammability testing …
Synthesis And Flame Retardant Testing Of New Boronated And Phosphonated Aromatic Compounds, Vladimir Benin, Sravanthi Durganala, Alexander Morgan
Synthesis And Flame Retardant Testing Of New Boronated And Phosphonated Aromatic Compounds, Vladimir Benin, Sravanthi Durganala, Alexander Morgan
Vladimir Benin
The present report describes the preparation and use of some dimethyl terephthalate derivatives in transition metal-catalyzed coupling reactions to produce new reactive flame retardants. Dimethyl iodoterephthalate and dimethyl 2,5-diiodoterephthalate were successfully employed in the preparation of phosphonic and boronic esters and acids. The latter were tested for heat release with a microcombustion calorimeter (ASTM D7309) to determine the potential for heat release reduction of these flame retardant molecules. The results showed that the addition of boronic or phosphonic acids greatly lowered the heat release, due to a condensed phase (char formation) mechanism. Adding ester groups to the boronic acids or …
Heat Release Of Polyurethanes Containing Potential Flame Retardants Based On Boron And Phosphorus Chemistries, Vladimir Benin, Bastien Gardelle, Alexander Morgan
Heat Release Of Polyurethanes Containing Potential Flame Retardants Based On Boron And Phosphorus Chemistries, Vladimir Benin, Bastien Gardelle, Alexander Morgan
Vladimir Benin
Using a polyurethane of methylene diphenyl isocyanate and 1,3-propane diol, several new non-halogenated aromatic boron and phosphorus flame retardants were evaluated for heat release reduction potential using the pyrolysis combustion flow calorimeter (PCFC). The polyurethanes were prepared in the presence of the potential flame retardants via solvent mixing and copolymerization methods, and were then analyzed via spectroscopic methods to determine if the flame retardant was still present in the final product. PCFC testing on the resulting products showed that the flame retardant molecule can have different effects on heat release depending upon how it is mixed into the polyurethane. Some …
Preparation, Characterization And Dft Studies Of Some New N-Nitrosocarbamates And N-Nitrosoureas, Ragavan Narayanan, Helene Hedian, Eric Shamo, Vladimir Benin
Preparation, Characterization And Dft Studies Of Some New N-Nitrosocarbamates And N-Nitrosoureas, Ragavan Narayanan, Helene Hedian, Eric Shamo, Vladimir Benin
Vladimir Benin
We are presenting the preparation, characterization and density functional theory (DFT) studies {B3LYP/6-31+G(d)) of several reiated classes of N-nitrosocarbamates and N-nitrosoureas. The iong-range goal is the design and preparation of compounds, which would undergo photochemical or hydrolytic decomposition, to yield stabilized cyclic cations that can serve as alkylating agents at various nucleophilic centers, including DNA bases.