Physical Chemistry Commons^™

The Effect Of Ozone Treatment On The Quality Of Biodiesel From Waste Cooking Oil, Sri Redjeki Setyawati, Singgih Wibowo

Makara Journal of Science

This research demonstrates the successful production of biodiesel from waste cooking oil (WCO) using the transesterification method. A methoxide solution, formed by employing a base catalyst and alcohol, facilitated the conversion of triglycerides into methyl esters and glycerol as the byproduct. The conversion process yielded 74% biodiesel and 13.5% glycerol content, with the remaining proportion consisting of water and contaminants. The application of ozone (O₃) aeration proved effective in reducing contaminants—such as alcohol, unreacted catalysts, food residues and water—by approximately 60%. Furthermore, Fourier transform infrared (FTIR) testing affirmed that the biodiesel product—treated with O₃ aeration—maintained its original …

The Quality Of Bio-Pellets Made By Combining Walnut Kernel Shells (Canarium Indicum L.) From Bogor, Indonesia, And Palm Kernel Shells As Renewable Energy, Ani Iryani, Linda Jati Kusumawardani, Ronaldo Juniansyah

Makara Journal of Science

Using biomass as an energy source helps overcome the declining supply of fossil fuels. Bio-pellets—an energy product made from biomass—is one option that can be utilized. One source of biomass energy is walnut kernel shells. The walnut plant (Canarium indicum L.) is a forest tree grown in eastern Indonesia. The walnut plant is also located in the GOR Pajajaran area of Bogor City and has not been utilized for energy production. This study consists of three stages: 1) raw material preparation, 2) bio-pellet production, and 3) bio-pellet characterization in accordance with the Indonesian National Standard (SNI) 8951:2020. Based on …

Investigation Of The Physicochemical Behaviour Of Acidum Citricum Homoeopathic Dilutions At Temperatures From 293.15 K To 318.15 K By Using Volumetric, Acoustic And Viscometric Methods, Anil Kumar Nain, Neha Chaudhary, Raj Kumar Manchanda, Debadatta Nayak

Indian Journal of Research in Homoeopathy

Background: The physicochemical properties of homoeopathic medicines have been gaining importance in elucidating the physicochemical behaviour (interactions) and, hence in establishing the presence of medicine at ultra-high dilutions. Objective: The present study is aimed to reconnoiter the existence of drug in ultra-diluted medicines and evidence regarding the physicochemical behaviour and prevailing interactions in the dilutions of Acidum citricum. Materials and Methods: The densities (ρ), ultrasonic speeds (u) and viscosities (η) of pure ethanol control (91% ethanol in water) and 33 dilutions of Acidum citricum of potencies across 1C to 200C at temperatures from …

A Comparison Of Shear Bond Strength Of Denture Teeth To Denture Base Using Different Means Of Retention: An In Vitro Pilot Study, Dima Taha El Baba, Paul Boulos

International Arab Journal of Dentistry

Objectives: The objective of this work is to evaluate the shear bond strength between denture base resin and three different acrylic artificial denture teeth. The latter was subjected to three different surface modifications on the ridge lap area and compared to unmodified acrylic artificial denture teeth.

Methods: In this experimental in vitro study, twenty-four maxillary central incisor acrylic teeth were used from each of three manufacturers; namely Major®, Ivoclar® and Myerson®. The teeth were additionally divided into four test groups with six specimens in each: a control group, a chemical retention group, a mechanical retention group, and a …

An Experiment In Electron Paramagnetic Resonance Spectroscopy For Undergraduate Labs In Physical Chemistry Or Physical Biochemistry, Evan A. Old, Matthew C. Rehak, Jefferson C. Thompson, Herbert J. Sipe Jr.

TeachEPR Submissions

We report a biochemically based EPR experiment for undergraduate laboratories that will serve as instruction for learning EPR sample preparation, spectral observation, and spectral analysis. There is a current lack of EPR instructional experiments that present complex spectra in which computational analysis may be required. The biochemical oxidation system of horse radish peroxidase (HRP) activated by H₂O₂ acts on 2,6-di-t-butyl-4-hydroxyanisole (DTBHA) to form phenoxyl radicals. This experiment produces moderately complex spectra of moderately long-lived radicals using relatively small amounts of readily available reactants. Spectrum analysis and simulation is accomplished using software freely available on-line. If desired, EPR …

High-Capacity, Reversible, And Energy-Efficient Water Vapor Sorption By Hierarchical Micro-To-Macroporous Carbon Aerogels From Polybenzoxazine And Polybenzodiazine, Vaibhav A. Edlabadkar, Rushi U. Soni, Stephen Y. Owusu, A. B.M.Shaheen Ud Doulah, Nicholas Leventis, Chariklia Sotiriou-Leventis

Chemistry Faculty Research & Creative Works

Quantitative, reversible water vapor sorption is in rising demand for applications ranging from home appliances to atmospheric water harvesting. However, most sorbents suffer from low water-uptake capacities, nonreusability, and especially high regeneration temperatures. This study addresses this challenge by introducing polybenzoxazine- (PBO) and polybenzodiazine-derived (PBDAZ) carbon aerogels as reversible high-capacity desiccants. PBO and PBDAZ aerogels were prepared from structurally related monomers via HCl-catalyzed ring opening polymerization. Both types of aerogels were first aromatized at 200–240 °C under air or O2 and then were carbonized at 800 °C under Ar. These as-prepared carbon aerogels were further etched at 1000 °C under …

Low-Cost Cutaneous Protoporphyrin Ix (Ppix) Detection (Cpd) Device For Follow-Up Monitoring Of Patients After Photodynamic Therapy, Md Asaduzzaman Rasel

Graduate Masters Theses

Background: Photodynamic Therapy (PDT) utilizes specific wavelengths of light to activate photosensitizing chemical compounds, known as photosensitizers, which induce the generation of cytotoxic reactive oxygen species (ROS) for the targeted destruction of cancer cells. Among various photosensitizers for PDT, Protoporphyrin IX (PpIX) is widely employed in oncology and dermatology due to its natural in situ generation via the metabolic conversion of 5- aminolevulinic acid (ALA), a non-phototoxic prodrug. Systemic administration of ALA after 3-6 hr drug delay leads to peak PpIX accumulation in tissues, facilitating therapeutic and diagnostic applications. However, PpIX can persist in the skin for 24–48 hours post-treatment, …

Superhydrophilic Porous Coooh Nano-Architecture With Abundant Oxygen Vacancies For Enhanced Urea Electrooxidation At Ampere-Level Current Densities, Wen-Jing Lv, Xiao-Man Tang, Xue-Tong Wang, Wen-Cai Liu, Jian-Wen Zhu, Guo-Jing Wang, Yuan-Zhi Zhu

Journal of Electrochemistry

The conversion of urea-containing wastewater into clean hydrogen energy has gained increasing attention. However, challenges remain, particularly with sluggish catalytic kinetics and limited long-term stability of urea oxidation reaction (UOR). Herein, we report the loosely porous CoOOH nano-architecture (CoOOH LPNAs) with hydrophilic surface and abundant oxygen vacancies (O_v) on carbon fiber paper (CFP) by electrochemical reconstruction of the CoP nanoneedles precursor. The resulting three-dimensional electrode exhibited an impressively low potential of 1.38 V at 1000 mA·cm⁻² and excellent durability for UOR. Furthermore, when tested in an anion exchange membrane (AEM) electrolyzer, it required only 1.53 V at …

Effect Of Saccharin On Crystallization Behavior Of Electroless Cobalt Plating, Yu-Xin Luo, Jing-Jing Wang, Lu Wang, Zi-Yi Yan, Yi Ma, Xin Bo, Jing-Shuang Dang, Zeng-Lin Wang

Journal of Electrochemistry

In the process of electroless cobalt plating, the saccharin additive can significantly change the surface morphology, texture orientation, and conductivity of the cobalt coating layer. When the amount of saccharin was 3 mg·L^–1, the cobalt coating transformed from disordered large grains to a honeycomb structure, with a preferred orientation of (002) facet on hexagonal close-packed (HCP) cobalt crystals. The resistivity of the cobalt film decreased to 14.4 μΩ·cm, and further decreased to 10.7 μΩ·cm after the annealing treatment. When the concentration of saccharin was increased, the grain size was gradually refined and a “stone forest” structure was observed, …

Design And Optimization Of Anode Catalysts For Direct Ethanol Fuel Cells: Advances And Challenges In C-C Bond Activation And Selective Modulation Of The C1 Pathway, Kai-Chi Qin, Meng-Tian Huo, Yu Liang, Si-Yuan Zhu, Zi-Hao Xing, Jin-Fa Chang

Journal of Electrochemistry

Direct ethanol fuel cells (DEFCs) are a promising alternative to conventional energy sources, offering high energy density, environmental sustainability, and operational safety. Compared to methanol fuel cells, DEFCs exhibit lower toxicity and a more mature preparation process. Unlike hydrogen fuel cells, DEFCs provide superior storage and transport feasibility, as well as cost-effectiveness, significantly enhancing their commercial viability. However, the stable C–C bond in ethanol creates a high activation energy barrier, often resulting in incomplete electrooxidation. Current commercial platinum (Pt)- and palladium (Pd)-based catalysts demonstrate low C–C bond cleavage efficiency (

Structure Regulation Engineering For Biomass-Derived Carbon Anodes Enabling High-Rate Dual-Ion Batteries, Rui Zhou, Rui Liu, Yun-Nuo Li, Si-Jie Jiang, Tian-Tian Jing, Yan-Song Xu, Fei-Fei Cao

Journal of Electrochemistry

Dual-ion batteries (DIBs) usually use carbon-based materials as electrodes, showing advantages in high operating voltage, potential low cost, and environmental friendliness. Different from conventional “rocking chair” type secondary batteries, DIBs perform a unique working mechanism, which employ both cation and anion taking part in capacity contribution at an anode and a cathode, respectively, during electrochemical reactions. Graphite has been identified as a suitable cathode material for anion intercalation at high voltages (> 4.8 V) with fast reaction kinetics. However, the development of DIBs is being hindered by dynamic mismatch between a cathode and an anode due to sluggish Li^{+ …}

Simulating Chemiluminescence Spectra Of Oh Radical Using Quantum Dynamical Simulations, Triet M. Cao

Research from the Berry Summer Thesis Institute, 2025

Chemiluminescence is a phenomenon of light emission that occurs when molecules transition from an excited state to the ground state. This phenomenon is widely utilized in applications ranging from quantifying product yields in chemical reactions to biological imaging and atmospheric chemistry studies. It has also been used in many crucial applications in the scarce conditions of heat and electricity, such as light sources for astronomy discovery or deep-sea diving. A notable example of such reactions is combustion, where highly reactive hydroxyl radicals (OH) are products. These radicals exhibit a chemiluminescence spectrum because of the interaction between their ground state and …

Characterization Of L-Band Resonators And Relaxation Times Of Soₓ- Radicals At X-Band, Georgina Naa Odey Amassah

Electronic Theses and Dissertations

Electron Paramagnetic Resonance (EPR) analysis requires resonators optimized for specific experimental challenges. Volume resonators enclose samples, while surface coil resonators allow imaging of larger subjects. For in vivo studies, L-band frequencies are commonly used because they offer a good balance between signal-to-noise ratio (S/N) and the ability to penetrate tissue. Rapid Scan (RS) EPR at L-band frequencies was chosen for my studies of resonators because of this balance but presents a challenge for sensitivity.

The spatial position dependence of signal intensity was evaluated for selected paramagnetic samples using 10 mm and 30 mm surface coils. The 10 mm coil, with …

Efficient Decontamination Of Organophosphate-Based Pesticides And Nerve Agent Simulants Mediated By N-Containing Nucleophiles, Emmanuel Kingsley Darkwah, Puspa Aryal, Saidulu Todeti, Jared Kenik, Samuel Insall, V. Prakash Reddy, Chariklia Sotiriou-Leventis

Chemistry Faculty Research & Creative Works

There is a growing interest in developing safer and more effective decontaminating agents for organophosphate-based pesticides and nerve agents. In this study, we present an effective method for the nonaqueous decontamination of these compounds using small-molecule-based decontaminating agents under ambient conditions. Our approach utilizes aryl and heteroaryl carboxaldehyde hydrazones and hydrazides to effectively hydrolyze nerve agent simulants into their nontoxic degradation products. The effectiveness of this method was evaluated using a range of nerve agent simulants, including dimethyl 4-nitrophenyl phosphate (DMNP), dimethyl methyl phosphonate (DMMP), and triphenyl phosphate (TPhP). In the presence of the heteroaryl hydrazone, the rate of hydrolysis …

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 …

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

Computational Investigation Of Energetic Materials: Influence Of Electronic And Steric Properties On Sensitivity And Decomposition Mechanisms, Elizabeth Ruth Zengel

Chemistry & Biochemistry Theses & Dissertations

Developing novel high energy density materials (HEDMs) requires knowledge of the causes and mechanisms of detonation. These chemical events are almost instantaneous and involve the release of a large amount of energy, which limits the experimental studies that can be performed on them. Computational methods including density functional theory (DFT) and molecular dynamics (MD) simulations have been used to investigate trigger bonds, those which break to initiate detonation. These bonds are commonly found within explosophores, substituents that increase the explosive potential of a molecule.

The Wiberg bond index (WBI) is an estimation of orbital overlap and bond strength between two …

Numerical Simulation Of The Pitting Corrosion Behavior Of Stainless Steel Bellows Influenced By Varying Liquid Film Thicknesses, Lu-Jun Ren, Guo-Min Li, Zhen-Xiao Zhu, Hai-Yan Xiong, Bing Li

Journal of Electrochemistry

To advance the understanding of the corrosion behavior of stainless steel bellows in marine atmospheric environments and enhance the precision of service life predictions, this study employs finite element simulations to investigate the pitting corrosion rates and pit morphologies of bellows peaks and troughs under varying electrolyte film thicknesses. The model incorporates localized electrochemical reactions, oxygen concentration, and homogeneous solution reactions. For improved computational accuracy, the fitted polarization curve data were directly applied as nonlinear boundary conditions on the electrode surface via interpolation functions. Simulation results reveal that the peak regions exhibit faster corrosion rates than the trough regions. With …

Research Progress On Thermal Management Of Lithium-Ion Batteries, Hong-Da Li, Qiu-Wan Shen, Zhao-Yang Zhang, Xin-Yue Zhao, Yuan Wei, Shi-An Li

Journal of Electrochemistry

Nowadays, new energy technologies are developing rapidly, energy storage systems are widely used, and lithium-ion batteries occupy a dominant position among them. Therefore, it is also very important to ensure their performance, safety and service life through thermal management technology. In this paper, the causes of thermal runaway of lithium batteries are reviewed firstly, and three commonly used thermal management technologies, namely, air cooling, liquid cooling and phase change material cooling, are compared according to relevant literature in recent years. Air cooling technology has been widely studied because of its simple structure and low cost, but its temperature control effect …

Ionic Liquid Enhanced Proton Transfer For Neutral Oxygen Evolution Reaction, Ming-Xing Chen, Nian Liu, Zi-He Dua, Jing Qi, Rui Cao

Journal of Electrochemistry

The development of highly active catalyst in pH-neutral media for oxygen evolution reaction (OER) is critical in the field of renewable energy storage and conversion. Nevertheless, the slow kinetics of proton-coupled electron transfer (PCET) hinders the overall OER efficiency. Herein, we report an ionic liquid (IL) modified CoSn(OH)₆ nanocubes (denoted as CoSn(OH)₆-IL), which could be prepared through a facile strategy. The modified IL would not change the structural characteristics of CoSn(OH)₆, but could effectively regulate the local proton activity near the active sites. The CoSn(OH)₆-IL exhibited higher intrinsic OER performances than the pristine …