Physical Sciences and Mathematics Commons^™

Deep Treatment Of Pulping Wastewater Using Three Phase Fluidized Bed Electrode Reactor, Dan Wu

Journal of Electrochemistry

Treatment of pulping wastewater by using a novel electrochemical reactor,i.e.the three phase fluidized bed electrode,reactor were invesigated.The effects of air flow rate,applied voltage,pH value and FeSO_(4) concentration on electrolysis efficiency were investigated.It was clearly shown that the 20 V of voltage,0.3 m~(3) h~(-1) of air flow rate,1000 mg L~(-1) of FeSO_(4) concentration and pH≈2.5 were its best conditions.COD removal could be 70.1% under these conditions.

Electrochemical Characterization Of Positive Electrode Material Lini_(1/3)Co_(1/3)Mn_(1/3)O_2 In Different Electrolytes, Jing-Jing Liu, Wei-Hua Qiu, Ling-Yan Yu, Hai-Lei Zhao, Tao Li

Journal of Electrochemistry

Cathode materials LiNi_(1/3)Co_(1/3)Mn_(1/3)O_(2) were prepared by low-heating solid-state reaction.The micro-structure and morphology of as-synthesized materials have been investigated by using XRD and SEM.The compatibilities of LiNi_(1/3)Co_(1/3)Mn_(1/3)O_(2) with purchased LiPF_(6)/ EC+DMC+DEC electrolyte and prepared LiBOB/EC+DEC+EMC electrolyte have also been studied.The Li/LiNi_(1/3)Co_(1/3)Mn_(1/3)O_(2) batteries showed excellent electrochemical properties in the LiPF_(6)/ EC+DMC+DEC electrolyte.Reversible discharge capacities of 167、163、163、157、147mAh/g at 0.5C、1C、1.5C、2C、3C rate between 2.7~4.35 V,with stable cycling performances have been obtained.Comparatively,the specific capacity of 160 mAh/g at 0.5C was obtained in LiBOB/EC+DEC+DEC electrolyte,which was just a little lower than that in the other electrolyte.However,the high rate capability of the materials in LiBOB/EC+DEC+DEC was not as …

Synthesis Of Indolizines And Benzoindolizines By Annulation Of Donor-Acceptor Cyclopropanes With Electron-Deficient Pyridines And Quinolines, Nicholas A. Morra, Christian L. Morales, Barbora Bajtos, Xin Wang, Hyosook Jang, Jian Wang, Brian Pagenkopf

Chemistry Publications

The formal [3+2] dipolar cycloaddition (or annulation) of donor-acceptor cyclopropanoate esters with pyridines and 5-nitroquinoline is reported. Electron-deficient pyridine dipolarophiles (R=CN, CO₂Et, COMe) participate in the annulation whereas electron rich species do not. The product 2,3-dihydroindolizines undergo rapid autooxidation, and the X-ray structures for two of the aromatic products are reported.

Multiwalled Ice Helixes And Ice Nanotubes, Jaeil Bai, Jun Wang, Xiao Cheng Zeng

Xiao Cheng Zeng Publications

We report six phases of high-density nano-ice predicted to form within carbon nanotubes (CNTs) at high pressure. High-density nano-ice self-assembled within smaller-diameter CNT (17,0) exhibits a double-walled helical structure where the outer wall consists of four double- stranded helixes, which resemble a DNA double helix, and the inner wall is a quadruple-stranded helix. Four other double-walled nano-ices, self-assembled respectively in two larger-diameter CNTs (20,0 and 22,0), display tubular structure. Within CNT (24,0), the confined water can freeze spontaneously into a triple-walled helical nanoice where the outer wall is an 18-stranded helix and the middle and inner walls are hextuple-stranded helixes.

Energetics Of Oxaspirocycle Prototypes: 1,7-Dioxaspiro[5.5]Undecane And 1,7,9-Trioxadispiro[5.1.5.3]Hexadecane, Abby Jones Weldon, Gregory S. Tschumper

Chemistry Faculty Research & Creative Works

(Chemical Equation Presented) The relative gas-phase energetics of several low-lying isomers of 1,7-dioxaspiro[5.5]undecane and 1,7,9-trioxadispiro[5.1.5. 3]hexadecane have been calculated with second-order Møller-Plesset perturbation theory and basis sets as large as aug-cc-pVQZ. Relative energies in THF, dichloromethane, acetone, and DMSO have been estimated with corrections from polarized continuum model calculations at the B3LYP/6-311+G(d) level. In the most stable conformation of 1,7-dioxaspiro[5.5]undecane, both rings adopt chair conformations, and both oxygens are axially disposed (2A). It is more than 2 kcal mol^-1 more stable than all the other conformers. In agreement with previous work, the "twist-boat" trans isomer (3A) is the most …

Rovibrational Resonance Effects In Collision-Induced Electronic Energy Transfer: I2(E,V=0-2)+Cf4, J. M. Hutchison, Benjamin Robert Booth Carlisle , '05, Thomas Alex Stephenson

Chemistry & Biochemistry Faculty Works

Collisions of I-2 in the E(0(g)(+)) electronic state with CF4 molecules induce electronic energy transfer to the nearby D, beta, and D-' ion-pair states. Simulations of dispersed fluorescence spectra reveal collision-induced electronic energy transfer rate constants and final vibrational state distributions within each final electronic state. In comparison with earlier reports on I-2(upsilon(E)=0-2) collisions with He or Ar atoms, we find markedly different dynamics when I-2, excited to the same rovibronic states, collides with CF4. Final vibrational state distributions agree with the associated Franck-Condon factors with the initially prepared state to a greater degree than those found with He or …

The Interaction Between Hydrogen And Various Carbon Allotropes Calculated Using Bond-Order Potentials, Michael Knippenberg

All Dissertations

Carbon-based materials are an exciting component of materials science. The understanding of interactions at the atomic level provide useful information for creating materials with specific properties. This dissertation examines three hydrocarbon systems: amorphous carbon (with and without hydrogenation), hydrogen adsorption in carbon nanotubes, and reconstructions of the diamond surface.
A melting/quenching procedure is used to produce amorphous carbon films at 2.0, 2.6, and 3.0 g/cm³. The sp³ fraction at each density is calculated and found to be qualitatively similar to experimental data at low densities. The inclusion of hydrogen in the amorphous film causes the sp^{3 …}

Nano And Microscale Adhesion Energy Measurement For Au-Au Contacts In Microswitch Structures, Nima Rahbar, Zong Zong, Yifang Cao, Wole Soboyejo

Nima Rahbar

This paper presents a study of adhesion energies that are relevant to Au–Au microswitch contacts at the nano- and micronscales. Adhesionmeasurements are obtained from cantilevered Aumicroelectromechanical system(MEMS)microswitch structures with varying lengths. Scanning electron microscopymeasurements of the microbeam profiles are combined with fracture mechanics model for the estimation of the adhesion energy. Adhesion contact and pull-off experiments are combined with theoretical models for the extraction of adhesion energies associated with Au-coated atomic force microscopy tips and Aumicroswitch substrates. Finite element method simulation was also performed to account for crack-tip shielding contributions from asperities in contact between Au–Au microscale cantilevered MEMS structure. …

U.S.-Japan-Hong Kong Planning Visit: Long Term Collaborative Research Studying Fe Effects On Ecosystem Structure In The Subarctic Pacific, Mark L. Wells

University of Maine Office of Research Administration: Grant Reports

This award supports a short-term U.S-Japan-Hong Kong Planning Visit in preparation for a long-term collaborative research project studying Fe effects on ecosystem structure in the Sub arctic Pacific. The collaborators are Professor Mark Wells at the University of Maine and Professor Shigenobu Takeda at the University of Tokyo in Japan and Professor Paul Harrison at the Hong Kong University of Science and Technology. Virtually the entire Sub arctic Pacific to the Aleutian Islands is a High Nitrate Low Chlorophyll (HNLC) region, characterized by persistently elevated concentrations of macronutrients throughout the year. Independent studies have demonstrated that a shortage of the …

Synthesis Of Multisubstituted Halo-Olefins Via Pd-Catalyzed Cross-Coupling Reactions : Applications In Nucleoside Chemistry, Daniela Andrei

FIU Electronic Theses and Dissertations

The enzyme S-adenosyl-L-homocysteine (AdoHey) hydrolase effects hydrolytic cleavage of AdoHcy to adenosine (Ado) and L-homocysteine (Hcy). The cellular levels of AdoHcy and Hcy are critical because AdoHcy is a potent feedback inhibitor of crucial transmethylation enzymes. Also, elevated plasma levels of Hcy in humans have been shown to be a risk factor in coronary artery disease.

On the basis of the previous finding that AdoHcy hydrolase is able to add the enzyme-sequestered water molecule across the 5',6'-double bond of (halo or dihalohomovinyl)-adenosines causing covalent binding inhibition, we designed and synthesized AdoHcy analogues with the 5',6'-olefin motif incorporated in place of …

Capillary Electrophoresis Of Proteins With Selective On-Line Affinity Monoliths, Jenny Marcela Armenta Blanco

Theses and Dissertations

The analysis of proteins in biological fluids by capillary electrophoresis (CE) is of interest in clinical chemistry. However, due to low analyte concentrations and poor concentration limits of detection (CLOD), protein analysis by this technique is frequently challenging. Coupling preconcentration techniques with CE greatly improves the CLOD. An on-line preconcentration-CE method that can selectively preconcentrate any protein for which an antibody is available would be very useful for the analysis of low abundance proteins and would establish CE as a major tool in biomarker discovery. To accomplish this, an on-line protein G monolithic preconcentrator CE system for enrichment and separation …

Physical And Structural Basis For The Strong Interactions Of The -Impy- Central Pairing Motif In The Polyamide F-Impyim, K. Buchmueller, S. Bailey, D. Matthews, Z. Taherbhai, J. Register, Z. Davis, Chrystal Bruce, C. O'Hare, J. Hartley, M. Lee

Chrystal D. Bruce

The polyamide f-ImPyIm has a higher affinity for its cognate DNA than either the parent analogue, distamycin A (10-fold), or the structural isomer, f-PyImIm (250-fold), has for its respective cognate DNA sequence. These findings have led to the formulation of a two-letter polyamide “language” in which the -ImPy- central pairings associate more strongly with Watson−Crick DNA than -PyPy-, -PyIm-, and -ImIm-. Herein, we further characterize f-ImPyIm and f-PyImIm, and we report thermodynamic and structural differences between -ImPy- (f-ImPyIm) and -PyIm- (f-PyImIm) central pairings. DNase I footprinting studies confirmed that f-ImPyIm is a stronger binder than distamycin A and f-PyImIm and …

Tetrakis(N-Ethyl-9-Oxo-4-Azonia-5-Aza-9h-Fluorene) Tetra-Μ3-Iodo-Hexa-Μ2-Iodo-Dodecaiodohexabismuthate, Meredith A. Tershany, Andrea M. Goforth, Mark D. Smith, Leroy Peterson Jr., Hans-Conrad Zur Loye

Faculty Publications

The new iodobismuthate compound (C₁₃H₁₁N₂O)₄[Bi₆I₂₂] has been synthesized solvothermally by reacting BiI₃, Zn(NO₃)₂·6H₂O and 4,5-diazafluoren-9-one in a water/ethanol solvent mixture. The asymmetric unit of the compound contains two independent [N-ethyl-4,5-dafo]⁺ cations and one-half of a centrosymmetric [Bi₆I₂₂]^4- anion. The average terminal Bi-I, Bi-₂-I and Bi-₃-I bond lengths in the anion are 2.8923 (2), 3.1403 (2) and 3.3022 (2) Å, respectively.

Biochemical Investigations Of Macular Degeneration: The Significance Of Protein Oxidation Including Novel Methods For Its Study, Sarah Warburton

Theses and Dissertations

The retinal pigment epithelium (RPE) is a monolayer of cells located directly behind the photoreceptor cells in the retina. These cells are involved in a variety of functions that support the visual process in the eye, namely 1) they form a blood-retina barrier which separates the neural retina from the choroid's blood supply, 2) the apical processes of RPE cells diurnally phagocytose the outer segments of photoreceptor cells, and 3) they participate in the renewal of the photopigment 11-cis retinal. Age-related macular degneration (AMD) is the leading cause of blindness in people over the age of 50 years in North …

Α,Ω-Dithiol Oligo(Phenylene Vinylene)S For The Preparation Of High-Quality Π-Conjugated Self-Assembled Monolayers And Nanoparticle-Functionalized Electrodes, Dwight S. Seferos, Rebecca Lai, Kevin W. Plaxco, Guillermo C. Bazan

Rebecca Lai Publications

While thioacetate-terminated oligo(phenylene vinylene)s (OPVs) have been synthesized and employed in applications involving the formation of metal–molecule–metal junctions, the synthesis and application of potentially more versatile α,ω-dithiol OPVs have not previously been described. Here, a thiomethyl-precursor route to the synthesis of α,ω-dithiol OPVs is reported and their ability to form well-ordered self-assembled monolayers (SAMs) without the addition of exogenous deprotection reagents is described. α,ω-Dithiol OPV monolayers exhibit thicknesses consistent with molecular length and are nearly defect-free, as assayed by electrochemical measurements. To demonstrate the ease with which SAMs containing these bifunctional OPVs can, in contrast to thioacetate functionalized OPVs, be …

Characterization Of Cucurbituril Complex Ions In The Gas Phase Using Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry, Haizhen Zhang

Theses and Dissertations

Host-guest interactions have been well studied in the new century to obtain fundamental insights into supramolecular chemistry. Most of the pioneering works have been done using techniques such as NMR, X-ray crystallography, IR spectroscopy and so on. However, none of these techniques is universal for the investigation of all types of supramolecules, and usually they have one or more limiting factors such as relatively large sample consumption, matrix effects from solvents, etc. Electrospray mass spectrometry has been widely used to investigate host-guest interactions in the gas phase. A particular advantage of gas phase host-guest research is that the experimental results …

Posterminaries: After Nabarro, Alexander H. King

Alexander H. King

With the passing of Frank Nabarro in July of this year, we have lost one of the founding fathers of materials science. His name appears in many of the textbooks from which we train our students today, and also on the spines of several volumes on dislocation theory, including his classic monograph on the subject. He rightly stands among the gods of our field. Ninety years old at his death, he was a sprightly dancer at the frontiers of knowledge, right up to the end.

Bis(1,2-Dihydroxy­Benzene) Hexa­Methyl­Ene­Tetra­Mine, Philias Daka, Kraig A. Wheeler

Kraig A. Wheeler

The title binary complex, 2C6H6O2·C6H12N4, is constructed from hexa­methyl­ene­tetra­mine, positioned about a twofold symmetry operator, and 1,2-dihydroxy­benzene. Each of the four tertiary amine N atoms participates in O—H⋯N contacts that produce mol­ecular strands that propagate along the c axis.

(Acetonitrile-Κn){2-[Bis­(2-Pyridylethyl)­Amino]Ethanol-Κ4n,N′,N′′,O}Zinc(Ii) Bis­(Perchlorate) Monohydrate, Hong-Chang Liang, Marcel M. Hetu, Kraig A. Wheeler, Lev N. Zakharov, Arnold L. Rheingold

Kraig A. Wheeler

In the title compound, [Zn(C2H3N)(C16H21N3O)](ClO4)2·H2O, the ZnII ion is coordinated by two pyridyl N atoms, one amine N atom, and an ethanol O atom from the N,N′,N′′,O-tetra­dentate 2-[bis­(2-pyridylethyl)amino]­ethanol donor ligand. The fifth coordination site is filled by an acetonitrile N atom, and there is one solvent water mol­ecule in the asymmetric unit. The 2+ charge of the cationic portion of the complex is balanced by two perchlorate counter-anions.

Nickel(Ii) And Cobalt(Ii) Nitrate And Chloride Networks With 2-Aminopyrimidine, Robert D. Pike, Mi Jung Lim, Ellen A. L. Wilcox, Tristan A. Tronic

Arts & Sciences Articles

The coordination chemistry of 2-aminopyrimidine (PymNH2) with nickel(II) and cobalt(II) nitrate and chloride is reported, including seven new X-ray crystal structures. Two [Ni(NO3)2(PymNH2)2(OH2)] isomers were found (A: C2/c, a=13.3006(5), b=7.9727(3), c=28.5453(11), β=101.758(2), V=2963.48(19), Z=8 and B·1/2 acetone: P21/c, a=7.66060(10), b=10.6792(2), c=20.6790(3), β=100.2970(10), 1664.48(5), Z=4). In both cases one nitrate is monodentate and the other is chelating and the PymNH2 ligands coordinate through ring nitrogen atoms. Hydrogen bonding results in double sheet structure for isomer A, and a three dimensional channeled network for isomer B. [Co(NO3)2(PymNH2)2(OH2)] ( …

Central Dysregulation Of The Hypothalamic-Pituitary-Adrenal Axis In Neuron-Specific Proopiomelanocortin-Deficient Mice, James L. Smart, Virgine Tolle, Veronica Otero-Corchon, Malcolm J. Low

Faculty Publications - Department of Biological & Molecular Science

No abstract provided.

Bis(1,2-Dihydroxy­Benzene) Hexa­Methyl­Ene­Tetra­Mine, Philias Daka, Kraig A. Wheeler

Faculty Research and Creative Activity

The title binary complex, 2C6H6O2·C6H12N4, is constructed from hexa­methyl­ene­tetra­mine, positioned about a twofold symmetry operator, and 1,2-dihydroxy­benzene. Each of the four tertiary amine N atoms participates in O—H⋯N contacts that produce mol­ecular strands that propagate along the c axis.

Oxidized Derivatives Of Ω-3 Fatty Acids: Identification Of Ipf 3Α-Vi In Human Urine, John A. Lawson, Seongjin Kim, William S. Powell, Garret Gerald A. Fitzgerald, Joshua Rokach

Chemistry and Chemical Engineering Faculty Publications

Isoprostanes (iPs) are prostaglandin-like molecules derived from autoxidation of polyunsaturated fatty acids (PUFAs). Urinary iP levels have been used as indices of in vivo lipid peroxidation. Thus far, it has only been possible to measure iPs derived from arachidonic acid in urine, because levels of iPs/neuroprostanes (nPs) derived from ω3-PUFAs have been found to be below detection limits of available assays. Because of the interest in ω3-PUFA dietary supplementation, we developed specific methods to measure nPF4α-VI and iPF3α-VI [derived from 4,7,10,13,16,19-docosahexaenoic acid (DHA) and 5,8,11,14,17-eicosapentaenoic acid (EPA)] using a combination of chemical synthesis, gas chromatography/mass spectrometry (GC/MS), andliquid chromatography tandem …

(Acetonitrile-Κn){2-[Bis­(2-Pyridylethyl)­Amino]Ethanol-Κ4n,N′,N′′,O}Zinc(Ii) Bis­(Perchlorate) Monohydrate, Hong-Chang Liang, Marcel M. Hetu, Kraig A. Wheeler, Lev N. Zakharov, Arnold L. Rheingold

Faculty Research and Creative Activity

In the title compound, [Zn(C2H3N)(C16H21N3O)](ClO4)2·H2O, the ZnII ion is coordinated by two pyridyl N atoms, one amine N atom, and an ethanol O atom from the N,N′,N′′,O-tetra­dentate 2-[bis­(2-pyridylethyl)amino]­ethanol donor ligand. The fifth coordination site is filled by an acetonitrile N atom, and there is one solvent water mol­ecule in the asymmetric unit. The 2+ charge of the cationic portion of the complex is balanced by two perchlorate counter-anions.

Styrenic Polymer Nanocomposites Based On An Oligomerically-Modified Clay With High Inorganic Content, Jinguo Zhang, David D. Jiang, Dongyan Wang, Charles A. Wilkie

Chemistry Faculty Research and Publications

Clay was modified with an oligomeric surfactant containing styrene and lauryl acrylate units along with a small amount of vinylbenzyl chloride to permit the formation of an ammonium salt so that this can be attached to a clay. The oligomerically-modified clay contains 50% inorganic clay, and styrenic polymer nanocomposites, including those of polystyrene (PS), high-impact polystyrene (HIPS), styrene–acrylonitrile copolymer (SAN) and acrylonitrile–butadiene–styrene (ABS), were prepared by melt blending. The morphologies of the nanocomposites were evaluated by X-ray diffraction and transmission electron microscopy. Mixed intercalated/delaminated nanocomposites were formed for SAN and ABS while largely immiscible nanocomposites were formed for PS and …

True Blue: Blue-Emitting Aluminum(Iii) Quinolinolate Complexes, Cesar Perez-Bolivar, Victor A. Montes, Pavel Anzenbacher Jr.

Chemistry Faculty Publications

Blue-emitting heteroleptic aluminum(III) bis(2-methyl-8-quinolinolate) phenolate complexes were synthesized. A tunable, blue-to-green emission is achieved by attaching electron-withdrawing modulators to the emisssive quinaldinate ligand. The electronic nature of modulator substituents attached to the position of the highest HOMO (highest occupied molecular orbital) density is used to modulate ligand HOMO levels to achieve effective emission tuning to obtain blue-emitting materials. Optical and electrochemical properties of the resulting complexes were investigated and compared to the results of density functional theory (DFT/B3LYP/6-31G*) studies. The resulting materials may find application as organic light-emitting device materials.

Bridging The Time And Frequency Domains Enables Raman Spectroscopy With Femtosecond Pulses, Sean Kern, Diana Urbanek, Sukhendu Nath, Mark Berg

Sean J. Kern

No abstract provided.

Fourier Series, Examples And The Fourier Integral, Carl W. David

Chemistry Education Materials

The derivation of the Fourier Integral from the Fourier series in complex form is carried out and illustrations of the Fourier Integral are done.

Periodic Boundary Condition Induced Breakdown Of The Equipartition Principle And Other Kinetic Effects Of Finite Sample Size In Classical Hard-Sphere Molecular Dynamics Simulation, Randall B. Shirts, Scott R. Burt, Aaron M. Johnson

Faculty Publications

We examine consequences of the non-Boltzmann nature of probability distributions for one-particle kinetic energy, momentum, and velocity for finite systems of classical hard spheres with constant total energy and nonidentical masses. By comparing two cases, reflecting walls (NVE or microcanonical ensemble) and periodic boundaries (NVEPG or molecular dynamics ensemble), we describe three consequences of the center-of-mass constraint in periodic boundary conditions: the equipartition theorem no longer holds for unequal masses, the ratio of the average relative velocity to the average velocity is increased by a factor of [N/(N–1)]^1/2, and the ratio of average collision energy to average kinetic energy is …

Nano-Chemistry, Erwin P. Enriquez

Chemistry Faculty Publications

Nanotechnology is a highly interdisciplinary field, with contributions from all fields: physics, chemistry, biology, materials science, engineering, and others. The explosive number of publications in this field makes it nearly impossible to give an extensive review even in chemistry alone. Nonetheless, one may track its emergence and rapid advancement from the point of view of a chemist's. This paper aims to provide a conceptual overview of chemistry for nanotechnology, a brief classification of different approaches and applications, together with some sample cases.