Chemistry Commons^™

Selective Extraction Of Scandium From Other Rare Earth Elements Using A Hydrophobic Protic Ionic Liquid Composed Of Decanoic Acid And Toa, Pius Dore Ola, Reo Nishioka, Yoshiro Tahara, Michiaki Matsumoto

Turkish Journal of Chemistry

Rare earth elements (REEs) are increasingly being used in advanced materials, but their extraction remains a major challenge. This is primarily due to their nearly identical ionic radii and similarity in chemical and physical properties. Therefore, this study aims to explore the use of a hydrophobic protic ionic liquid (PIL) composed of decanoic acid and trioctylamine (TOA) to selectively extract scandium (Sc) from other REEs using acid or salt as the extraction medium. In the acidic medium, the extraction efficiency of all tested REEs was inversely proportional to the acid concentration. Meanwhile, the extraction percentage of Sc was significantly higher …

Influence Of Synthesis Parameters On The Structural Formation Of Mayenite Via The Citrate Sol-Gel Method, Büşra Eryildirim, Nuray Oktar, Doruk Doğu

Turkish Journal of Chemistry

Mayenite (Ca12Al14O33) has remarkable properties such as high oxygen mobility, ionic conductivity, and catalytic activity. It has many different applications, including oxide-conducting electrolytes, fluorescent lamps, moisture sensors, hydrogen-permeable membranes, oxygen pumps, hydrogen storage, and catalysis. However, pure and homogeneous mayenite synthesis parameters have not yet been fully explored. This study examines the effect of synthesis parameters including metal salt (MS) to citric acid (CA) molar ratios (1:1 and 1:2), pH (0.4–2), and calcination temperature (900–1200 °C) in citrate sol-gel method on the crystal structure of mayenite. Synthesized materials were examined by thermogravimetric (TG), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), …

A Novel P–N Junction Uio-66/Agins2 For Photodegradation Of Enrofloxacin Under Visible Light, Sajedeh Sadat Hashemipoor, Reza Fazaeli, Hamid Reza Moghadam Zadeh, Mehdi Arjomand

Turkish Journal of Chemistry

The formation of a heterogeneous junction between photocatalysts may be a potential solution for removing medicinal compounds from wastewater, which is crucial due to the environmental and health risks. The present study aims to investigate the efficacy of UiO-66/AgInS2 p–n junction photocatalyst—a Zr-based metal-organic framework—in degradation of enrofloxacin (ENR) antibiotic using visible light. UiO-66, AgInS2 (AIS), and UiO-66/AIS semiconductors were characterized using various techniques. The comparative analysis of particle structural parameters utilized diverse methodologies, and response surface methodology (RSM) was applied for the optimization of ENR degradation. The degradation kinetics of ENR were investigated. We identified UiO-66/AIS as a p–n …

A Disposable Biosensing System For Analysis Of Ca125 In Real Human Serum Samples, Meltem Afşar, Berfi̇n Vural, Meli̇ke Bi̇lgi̇ Kamaç, Mustafa Kemal Sezgi̇ntürk

Turkish Journal of Chemistry

Several biomarkers have been developed to track the development of ovarian cancer and identify the illness at an early stage. A promising development for ovarian cancer is using cancer antigen 125 (CA125). The objective of this work is to identify the CA125 marker by utilizing an indium tin oxide polyethylene electrode. The advantage of the designed biosensor is that it is very cheap, disposable, practical, and easy to use. The necessary parameters for the developed biosensor have been optimized in detail. Repeatability, reproducibility, regeneration, storage, and selectivity studies have been completed to characterize the proposed biosensor. Electrochemical impedance spectroscopy and …

Dielectric And Mechanical Properties Of Polyaniline-Grafted Sepiolite Loaded Pvc Nanocomposites, Asif Raza, Tariq Yasin, Muhammad Nadeem, Muhammad Arshad Farhan

Turkish Journal of Chemistry

Conducting polymers exhibit interesting dielectric properties due to their unique conjugated π-electron backbone. The objective of this study was to examine the dielectric properties of nanocomposites containing a conducting nanohybrid (NH) as a filler. Polyaniline was grafted onto sepiolite by in situ emulsion graft polymerization to synthesize a conducting NH. This NH was blended with poly(vinyl chloride) (PVC) using a melt blending technique. Nanocomposites with variable amounts of nanofiller were prepared and characterized. Fourier-transform infrared (FT-IR) spectra of the NH composites show strong interactions between their individual components. The addition of the nanofiller into PVC increased its thermomechanical properties. Dielectric …

Theoretical Study On Electronic And Optoelectronic Properties Of Some C^N^N- And C^C^C-Chelated Iridium(Iii) Complexes For Oleds, Ayhan Üngördü

Turkish Journal of Chemistry

The electronic and optoelectronic properties of 8 C∧N∧N- and C∧C∧C-chelated Ir(III) complexes were investigated using density functional theory at the Becke-style 3-parameter Lee-Yang-Par and triple zeta plus polarization level. Based on reorganization energy calculations, complex 7 was identified as a promising ambipolar material, while complexes 1 and 2 had efficient hole transport properties. Complex 8 had low ionization potential and is therefore a strong candidate for hole transport applications. Complex 4 had high electron affinity and therefore has potential as an effective electron acceptor material. Photophysical analysis showed that all complexes had phosphorescent properties, with complexes 5 and 6 showing …

Sulfur Fluoride Exchange With Carbon Pronucleophiles, Joseph R. Novicki, Matthew D. Teeter, Neil J. Baldwin, Christopher W. Am Ende, Alistair D. Richardson, Thomas R. Puleo, Nicholas Ball

Pomona Faculty Publications and Research

Aryl alkyl sulfones are an important class of compounds in drug discovery; thus, new methods toward their synthesis are desirable. A general sulfur fluoride exchange (SuFEx) method to couple aryl sulfonyl fluorides with alkyl carbon pronucleophiles to make aryl alkyl sulfones is described. The reaction was applied to a diverse set of pronucleophiles, including esters, amides, heteroarenes, nitriles, sulfones, sulfoxides, and sulfonamides, at room temperature under mild conditions. We highlight the application of this transformation in parallel medicinal chemistry for the high-throughput generation of a broad array of aryl alkyl sulfones. Lastly, we apply this method to the late-state SuFEx …

A Study Of Wear Measurement And Life Prediction Of Insert Chute Liner On Gold Ore Processing, Ferry Ardika Natanael, Nony Maulidya, Dedi Priadi

Journal of Materials Exploration and Findings

Chutes are critical materials handling assets to transport solid particles from one process step to another in mineral processing, coal mining and cement industries. The material transport, because of material characteristics, cause severe wear on internal lining of chutes or bins’ structure. The wear problem on internal lining of bins or chutes needs to be checked to keep production efficiency. Therefore, not checked wear rate causes liner replacement schedule becomes unpredictable. It leads to production loss and highly cost maintenance in industry. This study shows that condition-based maintenance through regular thickness measurement using Ultrasonic Transducer (UT) to predict life service …

Correlation Between Microstructure And Hardfacing Properties With Welding Current Intensity In Reconditioned Low-Alloy Steel Material Using Submerged Arc Welding (Saw) : A Comprehensive Review, Iman Nugraha Asmara, Winarto Winarto

Journal of Materials Exploration and Findings

This review studying the correlation between microstructural transformations and mechanical properties in reconditioned low-allow steel material, focusing on the impact of Submerged Arc Welding (SAW) parameters, especially current, on microstructure . The study highlights how variation on welding parameters, especially current intensity variation, affecting microstructural transformations, hardness, and wear resistance of hardfaced layers. Key aspects such as dilution effect, phases distribution, and carbide formation are reviewed to understanding their impact on mechanical properties. By reviewing insights from existing literature and experimental findings, this review underscores the role of Submerged Arc Welding in enhancing mechanical properties and microstructural of low-alloy steel …

Techno-Enviro-Economic Approach For Electrification Of Rural And Shrimp Farming Regional Development Of An Isolated Island In Indonesia By Utilizing Hybrid Renewable Energy Systems, Fiqih Akbar Wijaya, Mohammad Akita Indianto

Journal of Materials Exploration and Findings

One of the challenges in developing and archipelagic countries such as Indonesia is maintaining energy demand in rural and isolated areas due to difficulties in electrical distribution. For instance, in areas like Bawean Island, no additional electricity capacity has been introduced in the past year, leading to an unmet potential customer demand. One of the possible options is by utilizing Hybrid Renewable Energy Systems (HRES) that are integrated with existing fossil fuel-based energy systems to support the growing energy demand in the remote island. A case study in Bawean Island is conducted with the projected energy demand covers the energy …

Remaining Life Assessment And Fitness For Service Evaluation Of Aging Chemical Reactors In Polyethylene Terephthalate Resin Industry, Aditya Pahlawan Munthe, Donanta Dhaneswara, Wahyuaji Narottama Putra, Gama Widyaputra

Journal of Materials Exploration and Findings

Aging chemical reactors in the polyethylene terephthalate (PET) resin industry require comprehensive evaluation to ensure safe continued operation. This study conducts a remaining life assessment (RLA) and fitness-for-service (FFS) evaluation on five 30-year-old reactors, based on API 510, API 579/ASME FFS-1, and ASME BPVC Section VIII Div. 1 standards. The analysis involves corrosion rate measurement, future corrosion allowance (FCA) projection, and minimum thickness verification. Among the reactors, R-120 was found to have the shortest remaining life less than 15 years. FFS assessments using three criteria Average Measured Thickness, MAWP from Point Thickness Readings, and Minimum Measured Thickness confirm that R-120 …

Analysis Of Leak Testing Planning For Carbon Dioxide Piping Systems In The Development Of Carbon Capture, Utilization, And Storage Facilities In The Bintuni Basin, Devi Sentiani, Akhmad Herman Yuwono Professor

Journal of Materials Exploration and Findings

Carbon Capture, Utilization, and Storage (CCUS) technologies have become a key strategic response to global efforts to reduce CO₂ emissions. This study presents a leak testing strategy designed for a carbon dioxide (CO₂) piping system as part of a Carbon Capture, Utilization, and Storage (CCUS) project in the Bintuni Basin, West Papua, Indonesia. This study aims to ensure the system is properly prepared before commissioning by designing a leak test plan that is both practical and technical, based on ASME B31.3, ASME PCC-2, and API STD 520 Part 1. We conducted the process, which involves identifying the system boundaries, …

Using The Epic (Exposure, Persuasion, Identification, And Commitment) To Develop A Measure Of Student Buy-In To Laboratory Learning Goals, Elizabeth Blanche Vaughan, A. Montoya-Cowan, Jack Barbera

Chemistry Faculty Publications and Presentations

Buy-in has been described as the series of judgements students make when deciding to engage with a pedagogical practice. Buy-in to pedagogical practices is known to have a meaningful impact on students’ engagement in learning environments, making it a construct of interest for researchers and practitioners. This study develops a measure of student buy-in to faculty defined laboratory learning goals by adapting an existing measure which operationalizes the construct in terms of Exposure, Persuasion, Identification, and Commitment (EPIC). The adapted measure presented in this study, deemed the EPIC-LaG (Laboratory Goals), was developed using learning goals for general and organic chemistry …

Developing A Course-Based Undergraduate Research Experience For Chem 122, Melanie J. Harvey Phd

Sabbatical Projects

Sabbatical presentation from a 2022 Sabbatical

Identification Of Alkynyl Nicotinamide Hsn748 As A Ret Solvent-Front Mutant Inhibitor With Intracranial Efficacy, Ujjwol Khatri, Neetu Dayal, Kofi B Owusu, Mandeep Kaur Hunjan, Shriya Pandey, Haley Anne Harper, Carli Mcmahan, Bennett D Elzey, Tao Shen, Xueqing Hu, Kurt W Evans, Ahmed El-Sheikh, Seong Jun Jo, Frederick W Holtsberg, M Javad Aman, Funda Meric-Bernstam, Sukyung Woo, Herman O Sintim, Jie Wu

Faculty, Staff and Student Publications

RET solvent-front G810C/R/S mutations confer resistance to the currently approved RET protein tyrosine kinase inhibitors (TKIs) selpercatinib and pralsetinib. Moreover, RET fusion-positive lung adenocarcinoma frequently metastasizes to the brain. To address these challenges, it is imperative to develop a RET TKI that is effective against solvent-front mutations and exhibits intracranial activity. We synthesized alkynyl nicotinamide-based RET TKIs and tested their efficacy in cell cultures in inhibiting selpercatinib/pralsetinib-resistant RET solvent-front mutants G810C/R/S found in cancer patients, and in BaF3/KIF5B-RET(G810C) cell-derived subcutaneous and intracranial tumors in vivo. We also evaluated alkynyl nicotinamide RET TKIs in KIF5B-RET-induced lung tumors in immune competent …

Computational Investigation Of The Structural And Electronic Effects Of Phenyl, Alkyl, And Halogen Fully Substituted Acenes, Emily A A Jarvis, Viraj Jain, Georgia Grace Tully, Peter W. Jarvis

Chemistry and Biochemistry Faculty Works

Acenes are a class of polycyclic aromatic hydrocarbons that may hold promise as organic semiconductors (OSCs) in solar cells and electronic devices. Their instability and poor solubility present challenges that may be improved by replacing the hydrogens with phenyl, halogen or alkyl substituents to sterically induce a helical twist to these otherwise planar molecules. This twisted structure also impacts the optical properties of these molecules. We employ time-dependent density functional theory (TD DFT) to investigate acenes spanning from naphthalene to heptacene. We focus on the structural and electronic effects of fully substituting these molecular backbones to create seven distinct substituent …

Growth Of Cylindrical Micelles And Their Use To Prepare Porous Materials With Tailored Dimensions And Alignment, Mengxue Zhang, Xiaomeng Li, Chuanbing Tang, Morgan Stefik

Faculty Publications

Materials with cylindrical pores are optimal for electrochemical devices and filtration due to their straight paths with minimal tortuosity when aligned. Polymer templates have led to many individual cylindrical architectures however the independent tailoring of pore and wall dimensions has remained elusive. Here short cylindrical micelle templates (PEO-b-PS) with glassy cores enabled the fabrication of sample series with constant cylindrical pore diameter (∼63 nm) and tailored wall thickness (TiO₂, ∼45–100 nm). This ShortCyl series (aspect ratio 4.25) had modest alignment that was attributed to the low free-energy cost for misalignment. Though the plasticized micelles (DCM present) …

Epitaxial Electrodeposition Of Cu-Btc Metal-Organic Framework Thin Films Onto The (100), (110), And (111) Surfaces Of Single-Crystal Gold And Cuprous Oxide Buffer Layers, Xiaoting Zhang, John Z. Tubbesing, Jay A. Switzer

Chemistry Faculty Research & Creative Works

Metal-organic frameworks (MOFs) have well-defined pore structures. Epitaxial MOFs can produce films with uniform pore sizes and open porosity. However, the growth of epitaxial MOF thin films has remained a challenge. Herein, we demonstrate a cathodic electrodeposition method for the epitaxial growth of a well-known MOF material, copper (II)-benzene-1,3,5-tricarboxylate (Cu-BTC), from solution precursors. The epitaxial electrodeposition of Cu-BTC was achieved in a Cu (NO₃)₂-H₃BTC-H₂O₂ bath using H₂O₂ reduction to deprotonate the H₃BTC molecule. The Cu-BTC films can be grown to micrometer thicknesses with Faradaic efficiencies up …

Magnetospectroscopic Studies Of A Series Of Fe(Ii) Scorpionate Complexes: Assessing The Relationship Between Halide Identity And Zero-Field Splitting, Daniel J. Santa Lucia, Laxmi Devkota, Sergey Lindeman, Andrew Ozarowski, J. Krzystek, Mykhaylo Ozerov, Samuel M. Greer, Daniel C. Cummins, Klaus H. Theopold, Mihail Atanasov, Joshua Telser, Adam T. Fiedler

Chemistry Faculty Research and Publications

Ferrous ions in four-coordinate environments are common in protein structures, synthetic catalysts, and molecular magnets. The 3d⁶ configuration of high-spin Fe(II) imparts an S = 2 ground state, whose analysis using conventional spectroscopic methods is often hindered by substantial zero-field splitting (ZFS). Herein, we provide detailed electronic-structure descriptions for [Fe^IIX(Tp^tBu,Me)] (1-X; X = F, Cl, Br, I), where (Tp^tBu,Me)− is hydrotris(3-tert-butyl-5-methyl-pyrazol-1-yl)borate. The three pyrazolyl N-donors of the “scorpionate” ligand facially coordinate to Fe(II), giving idealized C_3v symmetry with the halide occupying the axial position. Although originally reported …

Wear Of High Entropy Alloys: Understanding Effects Of Cryogenic Temperatures And Surface Nitriding On Wear Behavior, Aubrey Yu Tang

Dartmouth College Ph.D Dissertations

Cryogenic tribological applications have become increasingly important with the development and innovation of advanced equipment in aerospace, polar regions, superconductivity, and more. Traditional lubrication methods are not viable under these harsh environments, so metallic materials must be able to maintain excellent mechanical properties and withstand the constant impact and wear alone. High entropy alloys (HEAs) have emerged as potential candidates for these applications because of their wide variety of excellent room temperature properties and apparent improvement of mechanical properties of some HEAs at extremely low temperatures. Despite their promising nature, very limited work has been done on understanding the wear …

64th Annual Rocky Mountain Conference On Magnetic Resonance

Rocky Mountain Conference on Magnetic Resonance

Final program, abstracts, and information about the 64th annual meeting of the Rocky Mountain Conference on Magnetic Resonance. Held in the Snowbird Resort and Conference Center, Snowbird, Utah, August 3-7, 2025.

Developing Microelectrode Arrays As Multiplex Point-Of-Care Diagnostics, Yu-Chia Chang

Arts & Sciences Graduate Student Theses and Dissertations

Antibiotic resistance poses a significant global health challenge, particularly in urinary tract infections (UTIs), where 92% of cases exhibit resistance to at least one antibiotic, causing over 260,000 deaths annually. The emergence of antibiotic-resistant bacteria and growing awareness of the adverse effects of unnecessary antibiotic use highlight the urgent need for better UTI diagnostics. Current state-of-the-art methods are either expensive and time-consuming, or they lack specific details about the nature of the antibiotic and only determine inflammation. This hinders timely and effective treatment decisions regarding whether an antibiotic is actually necessary. Given this backdrop, there is a demand for a …

An Enzyme-Coupled Isotope Dilution Mass Spectrometry Assay For Non-Adjacent Dna Photoproducts As Intrinsic Probes For G-Quadruplexes In Vitro, Savannah Sharee Scruggs

Arts & Sciences Graduate Student Theses and Dissertations

G-quadruplexes are noncanonical secondary structures that form in guanine-rich nucleic acid sequences and are thought to be involved in the control of gene expression.1 Unfortunately, it has been difficult to prove that these structures exist in vivo because of their dynamic nature. Rather than try to develop G-quadruplex specific binders as others have done,2 our idea is to photochemically trap certain types of G-quadruplexes by irreversible photoproduct formation3–5 and then detect the stable G-quadruplex-specific photoproducts by Isotopic Dilution Mass Spectrometry (IDMS).6 This IDMS method could then be used to unambiguously confirm the presence of specific types of G-quadruplexes in vivo …

Harnessing Emergent Multiple Scattering Resonances In A Photonic Glass Structure For Photoelectrochemical Energy Conversion, Ashlyn G. Descarpentrie, Robert H. Coridan

Chemistry & Biochemistry Faculty Publications and Presentations

Light trapping nanostructures are often necessary to improve carrier collection yields in semiconductor photoelectrodes with intrinsically poor electron transport. Photonic crystal templates can generate tailorable light trapping via periodic and precise nanostructure, though this is not a scalable strategy for photoelectrochemical (PEC) applications. It is therefore critical to identify alternative mechanisms for light trapping that tolerate disorder. Light trapping in disordered media is generated by the diffusive transport caused by multiple scattering. In some cases, multiple scattering can generate resonances that resemble those observed in photonic crystals. While resonant multiple scattering is a disorder tolerant light trapping mechanism, it is …

Dynamic Mutational Profiling Of Binding Interactions And Allosteric Networks In Conformational Ensembles Of The Sars-Cov-2 Spike Protein Complexes With Classes Of Antibodies Targeting Cryptic Binding Sites: Confluence Of Binding And Allostery Determines Molecular Mechanisms And Hotspots Of Immune Escape, Mohammed Alshahrani, Vedant Parikh, Brandon Foley, Gennady M. Verkhivker

Mathematics, Physics, and Computer Science Faculty Articles and Research

The ongoing evolution of SARS-CoV-2 variants has underscored the need to understand not only the structural basis of antibody recognition but also the dynamic and allosteric mechanisms that could underlie complexity of broad and escape-resistant neutralization. In this study, we employed a multi-scale approach integrating structural analysis, hierarchical molecular simulations, mutational scanning and network-based allosteric modeling to dissect how Class 4 antibodies (represented by S2X35, 25F9, and SA55) and Class 5 antibodies (represented by S2H97, WRAIR-2063 and WRAIR-2134) can modulate conformational behavior, binding energetics, allosteric interactions and immune escape patterns of the SARS-CoV-2 spike protein. Using hierarchical simulations of the …

Antifungal Peptides From Casein Milk Of Etawa Crossbreed (Capra Hircus) As Biopreservation Agent For Bread And Molecular Docking Studies, Dian Riana Ningsih, Winarto Haryadi, Rachma Wikandari, Tri Joko Raharjo

Karbala International Journal of Modern Science

Bread without peptide fraction treatment started to grow mold on the fourth day with a total of 24x10⁷ fungi colonies/ml. Meanwhile, the addition of peptide fractions GMC5, GMC6, GMC7, and GMC8 effectively preserved bread for up to 4 days, indicated by no mold growth. The best treatment was the GMC6 peptide fraction on day 8 which grew the least amount of fungus at 7x10⁷ spores/ml. Peptide interaction with the CaATPase receptor Aspergillus sp. was carried out using HADDOCK 2.4. The 3D CaATPase structure prediction resulted in a model with good structural quality. This was supported by residues in …

Extreme Value Theory View Of High Emitter Diesel Vehicles In The Us From 1991 To 2021, M. Matti Maricq, Gary A. Bishop

Fuel Efficiency Automobile Test Publications

Extreme value theory (EVT) is a statistical method to characterize the tails of distributions, such as high emitter vehicle emissions. The present work addresses the United States (US) diesel fleet. EVT confirms that high emitters contribute disproportionately to adverse air quality. It further reveals that high emitter emissions have responded differently to progressively tighter emissions standards compared to fleet averages. Carbon monoxide (CO) and hydrocarbons (HC) high emitter emissions fell in concert with the fleet average after widespread implementation of the diesel oxidation catalyst to meet US Environmental Protection Agency (EPA) Tier 1 emissions standards, but remained unchanged after introduction …

Assembly Of Non-Close-Packed Poly(N-Isopropylacrylamide) Microgels On Metal Halide Perovskite Films, Amal Alruwaili, Osama M. Alkhudhari, Ran Wang, Zhenyu Jia, Jennifer M. Saunders, Eugenio Picheo, Daniel T.W. Toolan, L. Andrew Lyon, Brian R. Saunders

Engineering Faculty Articles and Research

Hypothesis

Experiments

Linking Ruthenium(Ii) Polypyridyl Complexes Into Metal-Organic Frameworks Using Iron(Ii) And Zinc(Ii), Taofeek Mayowa Ogungbade

Masters Theses & Specialist Projects

Renewable energy has attracted significant interest in recent years as society seeks to minimize its dependence on fossil fuels. Among the various strategies proposed to achieve this goal, one promising approach is the conversion of carbon dioxide into organic fuels using photocatalysts. Unlike traditional semiconductor photocatalysts, metal-organic frameworks (MOFs) offer advantages such as absorption of visible light, tunable structures, and uniform pore sizes, which enhance their efficiency in the photocatalytic reduction of carbon dioxide.

In this thesis, we report the synthesis, structure, and properties of two novel heteronuclear MOFs that incorporate ruthenium(II) complexes and 3d-block transition metals using 2,2’-bipyridine-5,5’-dicarboxylic acid …

Understanding Structure-Property Relationships Within Polyolefin-Derived Vitrimer Systems, Mikaela Sadri

Dissertations

Polyolefins are extremely ubiquitous materials due to their satisfactory material properties, ease of synthesis, and low cost. Unfortunately, their extensive use has led to a global plastic waste mismanagement problem. As such, notable efforts have recently focused on converting these commodity polymers into vitrimers, or dynamic networks, to extend their use-life and tailor their properties. However, the fundamental polymer physics of these emerging materials, remain largely underexplored, hindering their widespread implementation. To address this challenge and enable a more sustainable future, the overarching goal of my dissertation research is to understand the fundamental structure-property relationships within complex polyolefin-derived vitrimer systems. …