Physical Sciences and Mathematics Commons^™

Adsorption Of Crystal Violet Dye From Synthetic Wastewater By Ball-Milled Royal Palm Leaf Sheath, Neloy Sen, Nawrin Rahman Shefa, Kismot Reza, Sk Md Ali Zaker Shawon, Md. Wasikur Rahman

Physics and Astronomy Faculty Publications and Presentations

The current study shows that using a batch approach to remove crystal violet dye from synthetic wastewater is feasible when using royal palm leaf sheath powder as an adsorbent. In order to investigate the effects of many parameters, including starting concentration, pH effect, dye concentration, adsorbent dose, contact time, and temperature, experiments were carried out under various operating conditions. Maximum removal was obtained at pH 6 and at a concentration of 100 ppm, which are considered as ideal values. The influence of pH and dye concentration was shown to be substantial. Langmuir, Freundlich, and Temkin isotherm models were fitted to …

Photoluminescence Switching In Quantum Dots Connected With Fluorinated And Hydrogenated Photochromic Molecules, Ephraiem S. Sarabamoun, Jonathan M. Bietsch, Pramod Aryal, Amelia G. Reid, Maurice Curran, Grayson Johnson, Esther H. R. Tsai, Charles W. Machan, Guijun Wang, Joshua J. Choi

Chemistry & Biochemistry Faculty Publications

We investigate switching of photoluminescence (PL) from PbS quantum dots (QDs) crosslinked with two different types of photochromic diarylethene molecules, 4,4'-(1-cyclopentene-1,2-diyl)bis[5-methyl-2-thiophenecarboxylic acid] (1H) and 4,4'-(1-perfluorocyclopentene-1,2-diyl)bis[5-methyl-2-thiophenecarboxylic acid] (2F). Our results show that the QDs crosslinked with the hydrogenated molecule (1H) exhibit a greater amount of switching in photoluminescence intensity compared to QDs crosslinked with the fluorinated molecule (2F). With a combination of differential pulse voltammetry and density functional theory, we attribute the different amount of PL switching to the different energy levels between 1H and 2F molecules which result in different potential barrier …

Reduced Metal Nanocatalysts For Selective Electrochemical Hydrogenation Of Biomass-Derived 5-(Hydroxymethyl)Furfural To 2, 5-Bis(Hydroxymethyl)Furan In Ambient Conditions, Baleeswaraiah Muchharla, Moumita Dikshit, Ujjwal Pokharel, Ravindranath Garimella, Adetayo Adedeji, Kapil Kumar, Wei Cao, Hani Elsayed-Ali, Kishor Kumar Sadasivuni, Naif Abdullah Al-Dhabi, Sandeep Kumar, Bijandra Kumar

Chemistry & Biochemistry Faculty Publications

Selective electrochemical hydrogenation (ECH) of biomass-derived unsaturated organic molecules has enormous potential for sustainable chemical production. However, an efficient catalyst is essential to perform an ECH reaction consisting of superior product selectivity and a higher conversion rate. Here, we examined the ECH performance of reduced metal nanostructures i.e., reduced Ag (rAg) and reduced copper (rCu) prepared via electrochemical or thermal oxidation and electrochemical reduction process, respectively. Surface morphological analysis suggests formation of nanocoral and entangled nanowire structure formation for rAg and rCu catalysts. rCu exhibits slight enhancement in ECH reaction performance in comparison to the pristine Cu. However, the rAg …

Metal Complexes Of Redox Active Ligands, Alexandra Chaparro, Parker Keller

Chemistry & Biochemistry Student Scholarship

Alexandra Chaparro ’22, Major: Biochemistry

Parker Keller ’24, Major: Chemistry

Mentor: Dr. Maria Carroll, Chemistry and Biochemistry

Our research focuses on synthesizing and studying the properties of metal complexes that contain redox active ligands. Ligands are molecules or ions that can bind to a metal ion, and this particular class of ligands is interesting because they can either accept or lose electrons. We synthesized zinc complexes, in order to measure the reduction potentials of the ligands, which provide information about the ease with which they accept electrons. We then synthesized iron complexes and determined their structures. These complexes are potentially …

3d-Printable And Open-Source Modular Smartphone Visible Spectrophotometer, Brandon Winters, Nick Banfield, Cassandra Dixon, Anna Swensen, Dakota Holman, Braxton Fillbrown

Chemistry Faculty Publications

The past four decades have brought significant and increasingly rapid changes to the world of instrument design, fabrication, and availability due to the emergence of 3D printing, open-source code and equipment, and low-cost electronics. These, along with other technological advances represent a nexus in time ripe for the wide-spread production and availability of low-cost sophisticated scientific equipment. To that end, the design of a 3D printable and open-source, modular spectrometer is described. This specific instrument is distinctly different from others that have been reported in recent years in that it was designed outside of the “black box” paradigm of …

Alternative View Of Oxygen Reduction On Porous Carbon Electrocatalysts: The Substance Of Complex Oxygen-Surface Interactions, Giacomo De Falco, Marc Florent, Jacek Jagiello, Yongqiang Cheng, Luke L. Daemen, Anibal J. Ramirez-Cuesta, Teresa J. Bandosz

Publications and Research

Electrochemical oxygen reduction reaction (ORR) is an important energy-related process requiring alternative catalysts to expensive platinum-based ones. Although recently some advancements in carbon catalysts have been reported, there is still a lack of understanding which surface features might enhance their efficiency for ORR. Through a detailed study of oxygen adsorption on carbon molecular sieves and using inelastic neutron scattering, we demonstrated here that the extent of oxygen adsorption/interactions with surface is an important parameter affecting ORR. It was found that both the strength of O2 physical adsorption in small pores and its specific interactions with surface ether functionalities in the …

Substituent Effects On The Solubility And Electronic Properties Of The Cyanine Dye Cy5: Density Functional And Time-Dependent Density Functional Theory Calculations, Austin Biaggne, William B. Knowlton, Bernard Yurke, Jeunghoon Lee, Lan Li

Materials Science and Engineering Faculty Publications and Presentations

The aggregation ability and exciton dynamics of dyes are largely affected by properties of the dye monomers. To facilitate aggregation and improve excitonic function, dyes can be engineered with substituents to exhibit optimal key properties, such as hydrophobicity, static dipole moment differences, and transition dipole moments. To determine how electron donating (D) and electron withdrawing (W) substituents impact the solvation, static dipole moments, and transition dipole moments of the pentamethine indocyanine dye Cy5, density functional theory (DFT) and time-dependent (TD-) DFT calculations were performed. The inclusion of substituents had large effects on the solvation energy of Cy5, with pairs of …

In Depth Characterisation Of The Biomolecular Coronas Of Polymer Coated Inorganic Nanoparticles With Differential Centrifugal Sedimentation, André Perez-Potti, Hender Lopez, Beatriz Pelaz, Abuelmagd Abdelmonem, Mahmoud G. Soliman, Ingmar Schoen, Philip M. Kelly, Kenneth A. Dawson, Wolfgang J. Parak, Zeljka Krpetic, Marco P. Monopoli

Articles

Advances in nanofabrication methods have enabled the tailoring of new strategies towards the controlled production of nanoparticles with attractive applications in healthcare. In many cases, their characterisation remains a big challenge, particularly for small-sized functional nanoparticles of 5 nm diameter or smaller, where current particle sizing techniques struggle to provide the required sensitivity and accuracy. There is a clear need for the development of new reliable characterisation approaches for the physico-chemical characterisation of nanoparticles with significant accuracy, particularly for the analysis of the particles in the presence of complex biological fluids. Herein, we show that the Differential Centrifugal Sedimentation can …

Gold/Qds-Embedded-Ceria Nanoparticles: Optical Fluorescence Enhancement As A Quenching Sensor, Nader Shehata, Effat Samir, Ishac Kandas

Electrical & Computer Engineering Faculty Publications

This work focuses on improving the fluorescence intensity of cerium oxide (ceria) nanoparticles (NPs) through added plasmonic nanostructures. Ceria nanoparticles are fluorescent nanostructures which can emit visible fluorescence emissions under violet excitation. Here, we investigated different added plasmonic nanostructures, such as gold nanoparticles (Au NPs) and Cadmium sulfide/selenide quantum dots (CdS/CdSe QDs), to check the enhancement of fluorescence intensity emissions caused by ceria NPs. Different plasmonic resonances of both aforementioned nanostructures have been selected to develop optical coupling with both fluorescence excitation and emission wavelengths of ceria. In addition, different additions whether in-situ or post-synthesis have been investigated. We found …

3d Printable Optomechanical Cage System With Enclosure, Brandon Winters, David Shepler

Chemistry Faculty Publications

The advent of the computer-age in the mid to late 20th century brought the development of sophisticated scientific equipment for myriad chemical analyses. The field of spectroscopy alone has seen significant advances in data collection, processing, and analysis due principally to the incorporation of microprocessors. While it is clear computers have revolutionized the field of instrumental chemical analysis their impact is pervasive through every segment of our lives. From word processing, data management, and Computer Aided Design in our work environments to social media, crowd funding, and digital news at home, technology is everywhere. This work seeks to incorporate the …

Phytoforensics: Trees As Bioindicators Of Potential Indoor Exposure Via Vapor Intrusion, Jordan L. Wilson, V. A. Samaranayake, Matt A. Limmer, Joel Gerard Burken

Mathematics and Statistics Faculty Research & Creative Works

Human exposure to volatile organic compounds (VOCs) via vapor intrusion (VI) is an emerging public health concern with notable detrimental impacts on public health. Phytoforensics, plant sampling to semi-quantitatively delineate subsurface contamination, provides a potential non-invasive screening approach to detect VI potential, and plant sampling is effective and also time- and cost-efficient. Existing VI assessment methods are time- and resource-intensive, invasive, and require access into residential and commercial buildings to drill holes through basement slabs to install sampling ports or require substantial equipment to install groundwater or soil vapor sampling outside the home. Tree-core samples collected in 2 days at …

Development And Implementation Of Problem-Based Chemistry Experiments For Engineering Students In A Multi-Disciplinary Course, Tiffany Hesser, Stephanie R. Bunyea

Chemistry and Chemical Engineering Faculty Publications

This paper will describe the implementation and continuing development of five problem based laboratory experiments in a general chemistry course designed specifically for multiple disciplines of engineering students at the University of New Haven. The Problem Based Laboratory Experiments (PBLE) were developed to provide students with the opportunity to perform and develop experimental procedures working in interdisciplinary teams, while achieving a greater understanding of the role of chemistry in engineering fields. In each PBLE, students first complete a traditional chemistry experiment to gain an understanding of the chemical concepts and to become familiar with executing a written procedure with a …

Characterization Of Biochars Produced From Peanut Hulls And Pine Wood With Different Pyrolysis Conditions, James W. Lee, Bob Hawkins, Michelle K. Kidder, Barbara R. Evans, A. C. Buchanan, Danny Day

Chemistry & Biochemistry Faculty Publications

Background

Application of modern biomass pyrolysis methods for production of biofuels and biochar is potentially a significant approach to enable global carbon capture and sequestration. To realize this potential, it is essential to develop methods that produce biochar with the characteristics needed for effective soil amendment.

Methods

Biochar materials were produced from peanut hulls and pine wood with different pyrolysis conditions, then characterized by cation exchange (CEC) capacity assays, nitrogen adsorption–desorption isotherm measurements, micro/nanostructural imaging, infrared spectra and elemental analyses.

Results

Under a standard assay condition of pH 8.5, the CEC values of the peanut hull-derived biochar materials, ranging from …

Modeling Of Gas Production From Shale Reservoirs Considering Multiple Transport Mechanisms, Chaohua Guo, Mingzhen Wei, Hong Liu

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Gas transport in unconventional shale strata is a multi-mechanism-coupling process that is different from the process observed in conventional reservoirs. In micro fractures which are inborn or induced by hydraulic stimulation, viscous flow dominates. And gas surface diffusion and gas desorption should be further considered in organic nano pores. Also, the Klinkenberg effect should be considered when dealing with the gas transport problem. In addition, following two factors can play significant roles under certain circumstances but have not received enough attention in previous models. During pressure depletion, gas viscosity will change with Knudsen number; and pore radius will increase when …

Ipads In The Science Laboratory: Experience In Designing And Implementing A Paperless Chemistry Laboratory Course, Tiffany Hesser, Pauline Schwartz

Chemistry and Chemical Engineering Faculty Publications

In the fall of 2012, 20 General Chemistry Honors students at the University of New Haven were issued the new iPad 3 to incorporate these devices both in the classroom and the laboratory. This paper will focus on the integration of the iPad into the laboratory curriculum while creating a paperless experience, an environment where no paper would enter or be used for the laboratory over the course of the year. Specific apps were chosen that would allow for an easy transition of course materials into an electronic format. After a transition period for the students and instructor, the overall …

'Laser Chemistry' Synthesis, Physicochemical Properties, And Chemical Processing Of Nanostructured Carbon Foams, Andres Seral-Ascaso, Rosa Garriga, Maria Luisa Sanjuan, Joselito M. Razal, Ruth Lahoz, Mariano Laguna, German F. De La Fuente, Edgar Munoz

Australian Institute for Innovative Materials - Papers

Laser ablation of selected coordination complexes can lead to the production of metal-carbon hybrid materials, whose composition and structure can be tailored by suitably choosing the chemical composition of the irradiated targets. This 'laser chemistry' approach, initially applied by our group to the synthesis of P-containing nanostructured carbon foams (NCFs) from triphenylphosphine-based Au and Cu compounds, is broadened in this study to the production of other metal-NCFs and P-free NCFs. Thus, our results show that P-free coordination compounds and commercial organic precursors can act as efficient carbon source for the growth of NCFs. Physicochemical characterization reveals that NCFs are low-density …

One-Pot Synthesis Of Colloidal Silicon Quantum Dots And Surface Functionalization Via Thiol-Ene Click Chemistry, Xiaoyu Cheng, Richard Gondosiswanto, Simone Ciampi, Peter J. Reece, J Justin Gooding

Australian Institute for Innovative Materials - Papers

A solution method for preparing surface functionalized colloidal silicon quantum dots (SiQDs) is presented. SiQDs prepared by this method are reasonably monodispersed and can be further functionalized via thiol-ene click reactions to introduce specific functionalities (i.e. -NH2, -COOH, -SO 3 -, alkane, alkene).

A Novel Route To Copper(Ii) Detection Using 'Click' Chemistry-Induced Aggregation Of Gold Nanoparticles, Carol Hua, William H. Zhang, Swahnnya De Almeida, Simone Ciampi, Danmar Gloria, Guozhen Liu, Jason Brian Harper, J Justin Gooding

Australian Institute for Innovative Materials - Papers

A simple colorimetric method for the detection of copper ions in water is described. This method is based on the 'click' copper(i)-catalyzed azide-alkyne cycloaddition reaction and its use in promoting the aggregation of azide-tagged gold nanoparticles by a dialkyne cross-linker is described. Nanoparticle cross-linking, evidenced as a colour change, is used for the detection of copper ions. The lowest detected concentration by the naked eye was 1.8 μM, with the response linear with log(concentration) between 1.8-200 μM. The selectivity relative to other potentially interfering ions was evaluated.

Oxidative Acetylenic Coupling Reactions As A Surface Chemistry Tool, Simone Ciampi, Michael James, Nadim A. Darwish, Erwann Luais, Bin Guan, Jason Brian Harper, J Justin Gooding

Australian Institute for Innovative Materials - Papers

A novel method to prepare redox monolayers on silicon electrodes has been developed that employs CuI-catalyzed oxidative acetylenic coupling reactions for molecular electronic type applications. As the first case study, ethynylferrocene was covalently immobilized onto an acetylene-terminated monolayer on a Si(100) surface to give a 1,3-diyne (CC-CC-) linked redox assembly. The derivatization process requires no protection/de-protection steps, nor activation procedures. The effect of the conjugated diyne linkage on the rate of electron transfer between tethered ferrocenyl units and the silicon electrode is benchmarked against well-established "click" products (i.e. 1,2,3-triazole linkage). The surfaces, after each step, are characterized thoroughly using X-ray …

Simulations Of Nanopore Formation And Phosphatidylserine Externalization In Lipid Membranes Subjected To A High-Intensity, Ultrashort Electric Pulse, Q. Hu, R. P. Joshi, K. H. Schoenbach

Bioelectrics Publications

A combined MD simulator and time dependent Laplace solver are used to analyze the electrically driven phosphatidylserine externalization process in cells. Time dependent details of nanopore formation at cell membranes in response to a high-intensity (100kV∕cm), ultrashort (10ns) electric pulse are also probed. Our results show that nanosized pores could typically be formed within about 5ns. These predictions are in very good agreement with recent experimental data. It is also demonstrated that defect formation and PS externalization in membranes should begin on the anode side. Finally, the simulations confirm that PS externalization is a nanopore facilitated event, rather than the …

Some Contributions Of Pure Math To Science, Herbert B.E. Case

Student and Lippitt Prize essays

An examination of the connection between math and science through discoveries in the subjects of astronomy, mechanics, physics and chemistry.