Physical Sciences and Mathematics Commons^™

Editorial: Carbon- And Inorganic-Based Nanostructures For Energy Applications, Federico Cesano, M. Jasim Uddin, Yuanbing Mao, Muhammad N. Huda

Chemistry Faculty Publications and Presentations

No abstract provided.

Electromagnetic-Triboelectric-Hybrid Energy Tile For Biomechanical Green Energy Harvesting, Elaijah Islam, Abu Musa Abdullah, Aminur Rashid Chowdhury, Farzana Tasnim, Madelyne Martinez, Carolina Olivares, Karen Lozano, Mohammed Uddin

Chemistry Faculty Publications and Presentations

Highlights

• Hybrid nanogenerator based floor-tile was developed to convert the Bio-Mechanical energy of human footsteps to Electrical Energy.

• Hybridization of Triboelectric Nanogenerator and Electro-Magnetic Generator consisting of Aluminum and Kapton.

• MoS2 is working as an electron acceptor.

• The maximum output is 1200V as open-circuit voltage, 5mA as short-circuit current, and 6W as power.

• Produces 20% more power than a commercially sold energy-harvester floor tile.

Abstract

Since the invention of Piezoelectric Nanogenerator in 2006, nanogenerators has become an attractive technology to the researchers for scavenging mechanical energy from the ambient environment for real life applications. Hybridization of these nanogenerators has been …

The Efficient Synthesis Of D-Xylulose And Formal Synthesis Of Syringolide 1, Sudhakar Kalagara, Gabriel Orozco, Shizue Mito

Chemistry Faculty Publications and Presentations

Wittig reaction and asymmetric dihydroxylation were used as the key steps in the synthesis of D-xylulose, a commercially available but costly carbohydrate. The effects of protecting groups and reactions conditions on asymmetric dihydroxylation are demonstrated. Optically pure D-xylulose was obtained after 4-6 steps from readily available hydroxyacetone and ethylene glycol. The method also involves some other valuable intermediates along the synthesis. Those intermediates were applied in the formal synthesis of Syringolides. A key precursor butenolide to Syringolide 1, the first non-proteinaceous specific elicitors of plant hypersensitive response, was obtained after 3 steps from the intermediate (8–10 steps from hydroxyacetone and …

Two Forms Of Tyrosyl-Trna Synthetase From Pseudomonas Aeruginosa: Characterization And Discovery Of Inhibitory Compounds, Casey Anne Hughes, Varesh Gorabi, Yaritza Escamilla, Frank B. Dean, James M. Bullard

Chemistry Faculty Publications and Presentations

Pseudomonas aeruginosa is a multidrug-resistant (MDR) pathogen and a causative agent of both nosocomial and community-acquired infections. The genes (tyrS and tyrZ) encoding both forms of P. aeruginosa tyrosyl-tRNA synthetase (TyrRS-S and TyrRS-Z) were cloned and the resulting proteins purified. TyrRS-S and TyrRS-Z were kinetically evaluated and the Km values for interaction with Tyr, ATP, and tRNATyr were 172, 204, and 1.5 μM and 29, 496, and 1.9 μM, respectively. The kcatobs values for interaction with Tyr, ATP, and tRNATyr were calculated to be 3.8, 1.0, and 0.2 s–1 and 3.1, 3.8, and 1.9 s–1, …

Effect Of Lanthanum Doping On The Reactivity Of Unsupported Comos2 Catalysts, Carolina Valdes, Diego Gonzalez, Kenneth Flores, Thomas Eubanks, John Valle, Agnelia Tiffany Hernandez, Carlos Hernandez, Jorge Lopez, Mataz Alcoutlabi, Jason Parsons

Chemistry Faculty Publications and Presentations

In the present study, catalytic systems based on La-doping were developed to improve the activity and performance of CoMoS2 hydrodesulfurization catalysts. Lanthanum-doped at 5, 10, or 25% of the Co content in CoMoS2 hydrodesulfurization catalysts were synthesized through a solvothermal process. X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) analyses confirmed the catalysts were triphasic consisting of Co9S8, MoS2, and La2S3. The La doped catalysts showed enhanced catalytic activity compared with CoMoS2 synthesized under the same conditions. The CoMoS2 prepared under solvothermal synthesis conditions showed a catalytic activity of 6.80 mol g-1 s-1, however, the La0.05Co0.95MoS2 doping showed a catalytic …

Molten Salt Synthesized Submicron Perovskite La1–Xsrxcoo3 Particles As Efficient Electrocatalyst For Water Electrolysis, Swati Mohan, Yuanbing Mao

Chemistry Faculty Publications and Presentations

Perovskite oxides are an important and effective class of mixed oxides which play a significant role in the fields of energy storage and conversion systems. Here we present a series of cobaltite perovskite LaCoO3 particles which have been doped with 0, 5, 10, 20, and 30% of Sr2C and have been synthesized by a combined sol– gel and molten-salt synthesis procedure, which provides a regular morphology of the particles. These Sr2C-doped LaCoO3 particles have been characterized by powder X-ray diffraction, Raman spectroscopy, infrared spectroscopy, X-ray photoelectron spectroscopy, and scanning electron microscopy. Moreover, these Sr2C doped LaCoO3 particles have been demonstrated …

All-Carbon Conductors For Electronic And Electrical Wiring Applications, Federico Cesano, M. Jasim Uddin, Karen Lozano, Marco Zanetti, Domenica Scarano

Chemistry Faculty Publications and Presentations

Electrical conductors based on carbons have recently attracted a growing interest due to the prospect of replacing metals. Electrical conductors without metals could represent not only an alternative for traditional wiring, but also a step forward in the progress and advancing of technology. This result can be achieved by combining high electrical conductivity with other properties, that are dexterity, light weight, environmental stability, high strength and flexibility. As the best mechanical properties, high electrical/thermal conductivity of the assembled fibers are all generally associated with low concentration of defects in the fiber backbone and in the individual carbon “building blocks”, a …

Electrospun Zno/Poly(Vinylidene Fluoride-Trifluoroethylene) Scaffolds For Lung Tissue Engineering, Bahareh Azimi, Mohammad Sajad Sorayani Bafqi, Alessandra Fusco, Claudio Ricci, Giuseppe Gallone, Roohollah Bagherzadeh, Giovanna Donnarumma, M. Jasim Uddin, Masoud Latifi, Andrea Lazzeri, Serena Danti

Chemistry Faculty Publications and Presentations

Due to the morbidity and lethality of pulmonary diseases, new biomaterials and scaffolds are needed to support the regeneration of lung tissues, while ideally providing protective effects against inflammation and microbial aggression. In this study, we investigated the potential of nanocomposites of poly(vinylidene fluoride-co-trifluoroethylene) [P(VDF-TrFE)] incorporating zinc oxide (ZnO), in the form of electrospun fiber meshes for lung tissue engineering. We focused on their anti-inflammatory, antimicrobial and mechano-electrical character according to different fiber mesh textures (i.e., collected at 500 rpm and 4000 rpm) and compositions: (0/100) and (20/80) w/w% ZnO/P(VDF-TrFE), plain and composite, respectively. The scaffolds were characterized in terms …

Synthesis And Fabrication Of Self-Sustainable Triboelectric Energy Case For Powering Smart Electronic Devices, Abu Masa Abdullah, Alejandro Flores, Aminur Rashid Chowdhury, Jianzhi Li, Yuanbing Mao, M. Jasim Uddin

Chemistry Faculty Publications and Presentations

In recent times, Triboelectric Nanogenerators (TENG) have attained the focus of the scientific community due to its potential as a medium to harvest mechanical energy from the ambient environment. Human motion has been attributed as a source of mechanical energy to drive electronic devices and sensors through TENG. Based on the principles of single electrode TENG, we have developed a Triboelectricity based Stepping and Tapping Energy Case (TESTEC) which magnifies the prospect to power touch electronic devices by utilizing finger tapping and stepping motion. This novel case was constructed with two single electrode TENG operating through the triboelectric mechanism between …

Surface Structure And Phase Composition Of Tio2 P25 Particles After Thermal Treatments And Hf Etching, M. Jasim Uddin, Federico Cesano, Aminur Rashid Chowdhury, Tarek Trad, Sara Cravanzola, Gianmario Martra, Lorenzo Mino, Adriano Zecchina, Domenica Scarano

Chemistry Faculty Publications and Presentations

The anatase to rutile phase transformation via thermal and chemical (HF etching) routes of TiO2 P25 has been investigated. The treatment parameters and properties of the resulting anatase and rutile nanoparticles are analyzed and discussed. Since the nature of TiO2 surfaces plays a significant role in determining the physical and chemical properties of the TiO2 nanoparticles, it is important to investigate the surface properties, including the morphology, the main exposed faces, the defectiveness, to be correlated with their peculiar properties, and then reactivity. Herein, we report an infrared spectroscopy investigation, employing the adsorption of CO probe molecule at low temperature, …

Effect Of Hydrothermal Temperature Treatment On The Variance Of Fluorescence In Ca2sio4:Tb3Þ, Rajaboopathi Mani, Santosh K. Gupta

Chemistry Faculty Publications and Presentations

Investigations of structural defects and their associated impact on the optical properties of optical materials are essential expediencies because different methods are involved in the preparation of those materials for display applications. Lanthanide ion doping is a simple structural probing strategy that facilitates the challenges of identifying the structural defects. Pure and terbium (Tb3+) doped Ca2SiO4 (C2S) particles were prepared using Pechini (C2SP) and hydrothermal methods (C2SH). From SEM images, it is observed that the Tb3+ doped C2SP particles were highly agglomerated, more than the C2SH particles. The TEM study confirmed that the particle size decreased for C2SH prepared at …

The Role Of Α, Γ, And Metastable Polymorphs On Electrospun Polyamide 6/Functionalized Graphene Oxide, Javier Macossay-Torres, Yazmin I. Avila-Vega, Faheem A. Sheikh, Travis Cantu, Francisco E. Longoria-Rodriguez, Edgar H. Ramirez-Soria, Rigoberto C. Advincula, Jose Bonilla-Cruz

Chemistry Faculty Publications and Presentations

The present paper describes the addition of nitroxide-functionalized graphene oxide (GOFT) into polyamide 6 (PA6) micro- and nanofibers, which were obtained through electrospinning. SEM micrographs demonstrated the presence of fibers. Tensile testing presented an unexpected and non-obvious behavior, in which the Young’s modulus, tensile strength, and elongation simultaneously and remarkably increased compared to the pristine polymer nanofibers. GOFT induces the hydrogen bonding between the NH group from PA6 with the functional groups, thus promoting higher crystallinity of the polymer matrix. Nonetheless, deconvoluted DSC curves revealed the presence of two quasi-steady polymorphous (b and d phases) contributing to 46% of the …

Versatile Bismuth Salts-Induced Reactions From Our Laboratory: A Perspective, Debasish Bandyopadhyay, Bimal Krishna Banik

Chemistry Faculty Publications and Presentations

Bismuth salts-mediated reactions are developed for the synthesis of diverse organic molecules of medicinal significance. Reactions conducted with bismuth salts are environmentally friendly and these may proceed due to the release of acids in the media. Bismuth salt may also act as a Lewis acid in these reactions. Versatile organic molecules in chiral and achiral forms are synthesized using bismuth salts-induced reactions at our research laboratory.

Glutaminyl-Trna Synthetase From Pseudomonas Aeruginosa: Characterization, Structure, And Development As A Screening Platform, Yaritza Escamilla, Casey A. Hughes, Jan Abendroth, David M. Dranow, Samantha Balboa, Frank B. Dean, James M. Bullard

Chemistry Faculty Publications and Presentations

Pseudomonas aeruginosa has a high potential for developing resistance to multiple antibiotics. The gene (glnS) encoding glutaminyl-tRNA synthetase (GlnRS) from P. aeruginosa was cloned and the resulting protein characterized. GlnRS was kinetically evaluated and the KM and kcatobs , governing interactions with tRNA, were 1.0 μM and 0.15 s-1 , respectively. The crystal structure of the α2 form of P. aeruginosa GlnRS was solved to 1.9 Å resolution. The amino acid sequence and structure of P. aeruginosa GlnRS were analyzed and compared to that of GlnRS from Escherichia coli. Amino acids that interact with ATP, glutamine, and tRNA are well …

Structure–Activity Relationship Of Rgd-Containing Cyclic Octapeptide And Αvβ3 Integrin Allows For Rapid Identification Of A New Peptide Antagonist, Aaron Silva, Wenwu Xiao, Yan Wang, Wei Wang, Heng Wei Chang, James B. Ames, Kit S. Lam, Yonghong Zhang

Chemistry Faculty Publications and Presentations

The αvβ3 integrin, a receptor for many extracellular matrix proteins with RGD-sequence motif, is involved in multiple physiological processes and highly expressed in tumor cells, therefore making it a target for cancer therapy and tumor imaging. Several RGD-containing cyclic octapeptide (named LXW analogs) were screened as αvβ3 antagonists with dramatically different binding affinity, and their structure–activity relationship (SAR) remains elusive. We performed systematic SAR studies and optimized LXW analogs to improve antagonistic potency. The NMR structure of LXW64 was determined and docked to the integrin. Structural comparison and docking studies suggested that the hydrophobicity and aromaticity of the X7 amino …

Td-Dft Spin-Adiabats With Analytic Nonadiabatic Derivative Couplings, Nicole Bellonzi, Ethan Alguire, Shervin Fatehi, Yihan Shao, Joseph E. Subotnik

Chemistry Faculty Publications and Presentations

We present an algorithm for efficient calculation of analytic nonadiabatic derivative couplings between spin-adiabatic, time-dependent density functional theory states within the Tamm-Dancoff approximation. Our derivation is based on the direct differentiation of the Kohn-Sham pseudowavefunction using the framework of Ou et al. Our implementation is limited to the case of a system with an even number of electrons in a closed shell ground state, and we validate our algorithm against finite difference at an S₁/T₂ crossing of benzaldehyde. Through the introduction of a magnetic field spin-coupling operator, we break time-reversal symmetry to generate complex valued nonadiabatic derivative …

Tailoring The Viscosity Of Water And Ethylene Glycol Based Tio2 Nanofluids, Abu Musa Abdullah, Aminur Rashid Chowdhury, Yingchen Yang, Horacio Vasquez, Justin Moore, Jason Parsons, Karen Lozano, Jose J. Gutierrez, Karen S. Martirosyan, Mohammed Uddin

Chemistry Faculty Publications and Presentations

Highlights

• Viscosity of TiO2 nanofluid at variable physical parameters has been reviewed.

• Classical and experimental viscosity models of nanofluids have been discussed.

• Preparation techniques of TiO2 nanofluid have been discussed.

• Viscosity of TiO2 nanofluid can increase by 329 times compared to the base fluid.

• Viscosity of TiO2 nanofluid decreases significantly with increasing temperature.

Abstract

Nanofluids have garnered significant attention in the scientific and engineering research communities due to their enhanced heat transfer properties when compared to conventional thermal fluids. Nanofluids comprised of titanium dioxide (TiO2) nanoparticles have a wide range of applications due to their excellent thermophysical properties like thermal …

Lysyl-Trna Synthetase From Pseudomonas Aeruginosa: Characterization And Identification Of Inhibitory Compounds, Samantha Balboa, Yanmei Hu, Frank B. Dean, James M. Bullard

Chemistry Faculty Publications and Presentations

Pseudomonas aeruginosa is an opportunistic pathogen that causes nosocomial infections and has highly developed systems for acquiring resistance against numerous antibiotics. The gene (lysS) encoding P. aeruginosa lysyl-tRNA synthetase (LysRS) was cloned and overexpressed, and the resulting protein was purified to 98% homogeneity. LysRS was kinetically evaluated, and the Km values for the interaction with lysine, adenosine triphosphate (ATP), and tRNALys were determined to be 45.5, 627, and 3.3 µM, respectively. The kcatobs values were calculated to be 13, 22.8, and 0.35 s−1, resulting in kcatobs/KM values of 0.29, 0.036, and 0.11 s−1µM−1, …

Lanthanide-Doped Lanthanum Hafnate Nanoparticles As Multicolor Phosphors For Warm White Lighting And Scintillators, Santosh K. Gupta, Jose P. Zuniga, Maya Abdou, Melonie P. Thomas, Manisha De Alwis Goonatilleke, Beth S. Guiton, Yuanbing Mao

Chemistry Faculty Publications and Presentations

Designing luminescent materials especially nanomaterials with multifunctional applications is highly challenging and demanding. In this work, we explored pyrochlore La2Hf2O7 nanoparticles (NPs) singly and triply codoped with Eu3+, Tb3+ and Dy3+. Under both ultraviolet and X-ray irradiations, the La2Hf2O7 NPs singly doped with Eu3+, Tb3+ and Dy3+ displayed red, green and yellowish-blue emission, respectively. The concentration quenching study revealed a non-radiative energy transfer in Eu3+ doped La2Hf2O7 NPs, which takes place via dipole-quadrupole mechanism. On the other hand, a dipole-dipole interaction prevails in Tb3+ and Dy3+ doped La2Hf2O7 NPs. Lifetime spectroscopy reveals the stabilization of Eu3+ and Dy3+ ions at …

Td-Dft Spin-Adiabats With Analytic Nonadiabatic Derivative Couplings, Nicole Bellonzi, Ethan Alguire, Shervin Fatehi, Yihan Shao, Joseph E. Subotnik

Chemistry Faculty Publications and Presentations

Wepresent an algorithm for efficient calculation of analytic nonadiabatic derivative couplings between spin-adiabatic, time-dependent density functional theory states within the Tamm-Dancoff approximation. Our derivation is based on the direct differentiation of the Kohn-Sham pseudowavefunction using the framework of Ou et al. Our implementation is limited to the case of a system with an even number of electrons in a closed shell ground state, and we validate our algorithm against finite difference at an S1/T2 crossing of benzaldehyde. Through the introduction of a magnetic field spin-coupling operator, we break time-reversal symmetry to generate complex valued nonadiabatic derivative couplings. Although the nonadiabatic …

Electrospinning Piezoelectric Fibers For Biocompatible Devices, Bahareh Azimi, Mario Milazzo, Andrea Lazzeri, Stefano Berrettini, M. Jasim Uddin, Zhao Qin, Markus J. Buehler, Serena Danti

Chemistry Faculty Publications and Presentations

The field of nanotechnology has been gaining great success due to its potential in developing new generations of nanoscale materials with unprecedented properties and enhanced biological responses. This is particularly exciting using nanofibers, as their mechanical and topographic characteristics can approach those found in naturally occurring biological materials. Electrospinning is a key technique to manufacture ultrafine fibers and fiber meshes with multifunctional features, such as piezoelectricity, to be available on a smaller length scale, thus comparable to subcellular scale, which makes their use increasingly appealing for biomedical applications. These include biocompatible fiber-based devices as smart scaffolds, biosensors, energy harvesters, and …