Chemistry Commons^™

Efficient Removal Of Methyl Orange Dye Via A Mnfe₂O₄/Go Nanocomposite With A Ctab Dual-Layer Surfactant Coating, Taher Karami, Soleiman Bahar, Reza Mostafazadeh

Research outputs 2022 to 2026

This study investigated the adsorption of methyl orange (MO) from aqueous solutions using a novel MnFe₂O₄/GO nanocomposite coated with cetyltrimethylammonium bromide (CTAB). The dual-layer surfactant modification facilitates both electrostatic and lipophilic interactions. This enhancement significantly improves dye removal efficiency. The adsorption process was monitored using spectrophotometry at 464 nm, with various characterization techniques confirming the structural and magnetic properties of the nanocomposite. The optimized parameters for maximum adsorption include a 2-minute ultrasonic dispersion, pH 6.8, and a surfactant-to-adsorbent ratio of 1, achieving a maximum adsorption capacity of 285.7 mg/g. The kinetic data followed a pseudo-second-order model, whereas the adsorption isotherm …

Reduced Mediators Released By Cyanobacteria During Exoelectrogenesis Detected Using Differential Pulse Voltammetry, Laura T. Wey, Monica Brachi, Yagut Allahverdiyeva, Shelley D. Minteer

Chemistry Faculty Research & Creative Works

Cyanobacteria generate electrical current through exoelectrogenesis (extracellular electron transfer) downstream of photosynthesis, yet the identity of the endogenous redox mediator(s) responsible remains unresolved. Here, we apply differential pulse voltammetry (DPV) to detect and characterise redox-active species released by Synechocystis sp. PCC 6803 under illumination. To enable sensitive detection, we developed an electrolyte intermediate between BG11 (Blue-Green-11) growth medium and MOPS (3-(N-morpholino)propanesulfonic acid) buffer that minimises background electrochemical interference while maintaining short-term cellular functionality. DPV revealed multiple light-enhanced oxidation peaks (0.1–0.65 V vs. saturated calomel electrode (SCE)) that were not resolvable using cyclic voltammetry, providing evidence that cyanobacteria release reduced compounds …

Computational Studies Of Triplet State Formation In Zinc Dipyrrin Complexes, Reuben Kwabla Adigbli

Electronic Theses and Dissertations

Zinc dipyrromethene complexes are promising earth-abundant photosensitizers due to their strong visible-light absorption and tunable excited states. To rationally design them for photocatalysis and photodynamic therapy, a molecular-level understanding of triplet-state formation is needed, but details of intersystem crossing remain unclear. To study the effect of π-extension, we synthesized an indole-substituted zinc dipyrrin complex: the dipyrromethane ligand was prepared from indole and mesitaldehyde, oxidized to the dipyrromethene, then coordinated with zinc. DFT and TD-DFT calculations determined ground and excited-state geometries and energies in different solvents, modeled absorption spectra, and visualized charge distributions. The results show how solvent polarity shifts energies …

Study Of Fast Switching Metastable-State Photoacids And Controlled Drug Release From Polycaprolactone (Pcl) Vascular Scaffold, Rana Salman Abbood Abbood

Theses and Dissertations

Metastable-state photoacid (mPAH) has become a common tool for controlling and driving chemical processes with light. mPAHs with fast reverse reactions are desirable for precise temporal control or generating quick pulses of proton concentration. In this work, different approaches towards fast reversing mPAHs are studied. Experimental and computational results showed that stabilizing the charge–transfer intermediate is an effective way to increase the rate. A novel mPAH with a reverse reaction ≈500 times faster than the most widely used mPAH in methanol has been developed. Another water-soluble mPAH exhibited a reverse reaction with a rate constant of 7.8 s−1, the fastest …

Stimuli-Responsive Proton Transfer: Photoacid Design, Co2 Sorbent Regeneration, And Polymer Applications, Melyse Ava Laud

Theses and Dissertations

Control over proton transfer enables the regulation of many pH-dependent chemical and material processes. Stimuli-responsive functional materials provide a means of achieving this control. Functional materials such as Metastable-state photoacids (mPAHs) reversibly release large amounts of protons when stimulated by light from a weakly acidic site within their structure. However, the dark acidities of previously reported mPAHs limit their use under basic conditions. To address this limitation, a benzimidazole-type mPAH was developed with an improved ground-state pKa of 11.9 and a metastable-state pKa of 9.8, enabling reversible proton transfer under mildly basic conditions. Additional mPAHs were examined to determine how …

Optimizing Multi-Layer/Multi-Physics Passive Adaptive Thermal Enclosures For Climate-Responsive Energy Regulation: A Numerical Study, Rajae Bousselham, Mingjiang Tao, Sergio Granados-Focil, Adriana Hera, Steven Van Dessel

Chemistry

Adaptive facades regulate heat transfer by adjusting their thermal behavior in response to environmental conditions. Passive adaptive systems, including stimuli-responsive thermal storage materials, tunable radiative coatings, and variable-conductivity layers, offer significant potential for material-based thermal regulation. However, their combined potential remains unexplored, as most studies examine individual mechanisms in isolation. As a result, trade-offs among energy savings, material usage, design complexity, and climate responsiveness are often underrepresented, overlooking coupled interactions in multilayer assemblies limiting their effectiveness. This study develops a transient three-dimensional numerical framework coupling heat transfer with multi-objective optimization to evaluate trade-offs between minimizing annual energy consumption and enclosure …

A Review Of Gallium And Germanium Recovery From Industrial Solid Residues, Ernest V. Oteng, Marthias Silwamba, Lana Alagha, Alex Luyima

Mining Engineering Faculty Research & Creative Works

The global demand for critical elements such as gallium (Ga) and germanium (Ge), and the shift toward circular mining has accelerated the development of new extraction and recovery processing these metals from industrial solid residues. This transition is driven by a substantial surge in demand for advanced technologies and the depletion of primary ore. Consequently, industrial solid residues, particularly zinc processing residues, smelter slags, flue dusts, and coal fly ash, are emerging as viable alternative sources. These residues incorporate Ga and Ge through isomorphic substitution in phases such as ferrites, silicates, and glassy aluminosilicates, and are enriched by industrial processes, …

The Structure And Regulatory Mechanism Of The Emrb Rna Motif In Lactobacillus Acidophilus, Isabella J. Mezzenga, Brian M. Lee

Journal of the South Carolina Academy of Science

Major facilitator superfamily (MFS) transporters aid bacteria in expelling toxic compounds such as antibiotics, bile acids, and other substances. Previous bioinformatic studies identified the emrB motif as a potential regulatory RNA element. In Lactobacillus, this RNA motif is generally found in the intergenic region upstream of an MFS transporter gene with homology to the emrB gene from Escherichia coli. Secondary structure predictions of the intergenic region were used to define the structural features of this RNA motif. The emrB motif comprises two hairpins, though inclusion of neighboring regions is predicted to stabilize alternative secondary structures. A potential rho independent terminator …

Development And Validation Of An Ai-Assisted Eco-Batik Gringsing Student Worksheet, Intan Kurniawati, Arif Widiyatmoko, Bambang Subali 5, Novi Ratna Dewi

Jurnal Pendidikan dan Pembelajaran

Background: Science literacy among Indonesian students remains low, indicating a need for contextual learning resources that connect scientific concepts with students’ environments. Local cultural heritage such as Batik Gringsing, combined with artificial intelligence (AI) as a supporting tool, offers a promising context, yet their integration in a single student worksheet remains underexplored.

Objectives: This study aimed to develop and validate an AI-assisted Eco-Batik Gringsing student worksheet for science learning.

Methods: The study employed a research and development (R&D) approach adapted from the 4D model, covering the Define, Design, and Develop stages. The evaluation focused on the validity and practicality of …

Electrocatalytic Oxidation Of Ethylene Glycol To Glycolic Acid: From Mechanism And Catalyst Design To Emerging Neutral Electrolyte Systems, Man Zhang, Xue Li, Xin-Yu Peng, Lin Wang, Wen-Wen Chen, Yao-Yue Yang

Journal of Electrochemistry

Polyethylene terephthalate (PET) waste represents both an environmental burden and a loss of carbon resources. Alkaline depolymerization of PET yields terephthalic acid and ethylene glycol (EG). Electrocatalytic oxidation of EG to glycolic acid (GA), the monomer of biodegradable polyglycolic acid (PGA), offers a sustainable route driven by renewable electricity. However, the ethylene glycol oxidation reaction (EGOR) involves competing pathways toward C2 products (GA and oxalic acid) and C1 products (formic acid and CO₂), making selective GA production a central challenge. This review provides a comprehensive overview of recent progress in selective EG-to-GA electrooxidation from catalyst design, mechanistic understanding, …

Regularization-Based Crystallite Size Distribution Analysis Of Pt/C Catalysts From X-Ray Diffraction, Cheng-Long Ma, Wei-Yu Shi, Zhong-Jun Hou

Journal of Electrochemistry

Accurate determination of the platinum crystallite size distribution in carbon-supported platinum (Pt/C) catalysts is critical for evaluating both the initial performance and long-term durability of proton exchange membrane fuel cells (PEMFCs). Conventional characterization approaches—including transmission electron microscopy (TEM), small-angle X-ray scattering (SAXS), and the Scherrer equation—are limited by restricted statistical sampling, sensitivity to support interference, or the inability to resolve the full breadth of the size distribution. In this work, we present a regularization-based inversion framework that extracts the volume-weighted crystallite size distribution directly from X-ray diffraction (XRD) line profiles, without requiring any a priori assumption regarding the functional form …

Metal Oxide Semiconductor Gas Sensors For Exhaled Breath Cancer Biomarker Detection, Guang-Lan Chen, Hui-Hui Luo, Wen-Wen Peng, Shi-Yu Xu, Yu-Ting Li, Hui-Jie Ke, Si-Hui Zhong, Jia-Ao Wei, Tong Chen, Xiao-Kun Li, You-Lin Zhang, Wei Chen

Journal of Electrochemistry

Early cancer screening can significantly improve therapeutic outcomes, volatile organic compounds (VOCs) and other related gases in exhaled breath, as cancer-specific biomarkers, offer a novel approach for non-invasive diagnosis. Metal oxide semiconductor (MOS)-based gas sensors are pivotal for exhaled breath VOCs detection, featuring compact size, cost-effectiveness, and rapid response. This review summarizes the most recent five-year research advances in cancer biomarker detection, and clarifies the core mechanisms of electrical property changes from sensing material-VOCs interactions and key performance metrics including sensitivity, selectivity, humidity tolerance, response/recovery time, stability, and operating temperature. This review also highlights the optimization strategies of sensing materials …

Autofield-Poa: A Hybrid Automl–Metaheuristic Framework For Automated Feature Selection In Recommender Systems, Mohammed Dheyaaldeen Taha, Waleed Kareem Ahmed, Rana Saad Mohammed, Zied O. Ahmed

Karbala International Journal of Modern Science

The problem of automated feature selection is one of the most important aspects of modern recommender systems, as overestimating the number of feature fields used, which can increase model complexity, inference latency, and performance degradation due to redundancy and noise. Although differentiable Automated Machine Learning (AutoML) based feature selection methods, including AutoField, are effective, they remain susceptible to initialization and local optima. Conversely, population-based metaheuristic algorithms are effective at global exploration, but are often inefficient in high-dimensional discrete spaces when randomly initialized. This paper presents AutoField-POA, a hybrid AutoML-metaheuristic framework that combines a differentiable controller with the Pelican Optimization Algorithm …

A Yolov8x Framework For Breast Lesion Localization Using Real-World Mammographic Images, Hadeel Abdul Majeed Ghazi, Yarub Alazzawi, Hussein Hasan Nsaif

Karbala International Journal of Modern Science

Breast cancer is one of the leading causes of mortality among women worldwide, and early and accurate mammographic assessment is important for timely diagnosis and improved patient survival. However, accurate breast lesion detection requires overcoming the issues of low lesion contrast, dense breast tissue, image noise, and variation in mammographic acquisition. In this study, we present a YOLOv8x-based computer-aided detection framework for automated breast lesion localization in full-field digital mammography (FFDM) and digital breast tomosynthesis (DBT) images acquired under heterogeneous clinical conditions. The framework was developed and evaluated using 501 clinical mammographic images obtained from multiple mammography systems, namely GE …

An Object-Level Semantic Video Transmission Framework For Iomt Based On Lightweight Yolo And Motion Triggering, Iman Kadhum Abbood, Alaa Shawqi Jaber

Karbala International Journal of Modern Science

In Internet of Multimedia Things (IoMT) environments, video capture and frame transmission consume substantial sensor energy and impose considerable network overhead because of redundant data transmission. Traditional approaches often rely on repeated pixel-level operations and frequent execution of deep segmentation models, thereby increasing computational and transmission costs. This paper proposes an Object-Level Semantic Video Transmission Framework (OSVT) for resource-constrained IoMT environments in which high-definition visual data must be transmitted over low-bandwidth wireless multimedia sensor networks (WMSNs). The proposed OSVT incorporates a dual-stage wake-up mechanism that remains in sleep mode during static scenes, thereby reducing transmission load. The high-power YOLOv11-seg module …

Calculation Of Alpha-Decay Half-Lives Using A Numerical Approach, Daniel Suescún-Díaz, Rosemberg Gómez-Noguera, Diego Rasero-Causil

Karbala International Journal of Modern Science

This study introduces a numerical approach for estimating alpha-decay half-lives of alpha-emitting nuclei using a modified five-parameter Woods-Saxon potential. The radial Schrödinger equation is solved with the Numerov method to calculate the wave function and the barrier transmission probability, without relying exclusively on the WKB approximation. The calculations were performed for 398 nuclides taken from the NUBASE2020 database. Of these, 264 nuclides were used for the MWS5 parameter-adjustment stage, whereas the remaining 134 nuclides were reserved for an independent evaluation of the model. The results were compared with those obtained from two reference models: the modified Gamow-Like Model (MGLM) and …

Antioxidant, Anti-Tyrosinase, Anti-Elastase, And Anti-Collagenase Activities Of Propolis Extracts From The Stingless Bee Tetragonula Laeviceps (Smith, 1857), Tri Hadi Handayani, Dimas Andrianto, Sih Kahono, Pamungkas Rizki Ferdian, Raden Lia Rahadian Amalia, Muhamad Ridwan

Karbala International Journal of Modern Science

Stingless bees incorporate propolis into their nest as a structural and protective material. Information remains limited on how solvent fractionation affects the antioxidant and enzyme-inhibitory activities of propolis produced by Indo nesian Tetragonula laeviceps. This study examined a crude extract prepared with 70% ethanol together with the n- hexane, ethyl acetate, and water fractions obtained from it. The analysis comprised total phenolic content (TPC), total flavonoid content (TFC), three antioxidant assays (ABTS, CUPRAC, TBARS), and inhibition of tyrosinase, elastase, and collagenase. The largest TPC and TFC values were obtained from the ethyl acetate fraction, at 85.93 ± 1.28 mg GAE/g …

Twinning Behavior Of Molecule-Adapted Gaussian-Type Orbitals (Gtos) In Cyclo-Hydrocarbons, Tong-Hyok Cha, Gum-Chol Kim, Kwang-Jin Ri, Jin-Nam Kim, Yong-Su Pak

Turkish Journal of Chemistry

The saturated cyclo-hydrocarbons CnH2n (n = 3–7) were constructed by the iterative coupling of the structural unit groups (SUGs), specifically the SUG-CH2C2 fragment, which was previously established for molecular basis optimization. For the McLean–Chandler 6-311+G basis set, under the SUG perturbation, the outer (s′, p′) and diffuse (sʺ, pʺ) primitive Gaussian type orbitals for the core-atom C* of SUG-CH2C2 undergo an off-center spatial displacement into a twinning configuration. Specifically, the s-type twins (s′, sʺ) share identical Gaussian exponents and are symmetrically shifted toward the two neighboring carbon atoms, while the p-type twins (p′, pʺ) exhibit a matching configuration. Generally, this …

Phytochemical Characterization, Cytotoxic Effects, And Potential Oxidative Dna Damage-Modulating Activities Of Arum Italicum Extract, Oznour Mourat Moustafa, Hülya Yağar

Turkish Journal of Chemistry

Arum italicum is traditionally utilized in the Thrace region for the treatment of hepatic and dermatological disorders; however, experimental evidence supporting these ethnopharmacological applications remains limited. As oxidative stress-induced DNA damage is an important contributor to the pathogenesis of liver and skin diseases, the aim in the present study was to investigate the ability of A. italicum leaf and tuber extracts to modulate oxidative DNA damage in vitro using nontumorigenic and cancerous hepatic and cutaneous cell models. Phytochemical profiling, antioxidant capacity, and cytotoxic activity were also assessed to support and contextualize the observed DNA damage-related effects.In vitro investigations were conducted …

Facile One-Step Activated Glassy Carbon Electrode For Sensitive Tryptophan Sensing In Yogurt, Sevi̇lay Erdoğan Kablan, Ahmet Çeti̇nkaya, Si̇bel Özkan, Emi̇rhan Nemutlu

Turkish Journal of Chemistry

Activation of glassy carbon electrodes (GCEs) in tailored solution environments introduces oxygenated surface functionalities such as hydroxyl, carboxyl, and quinone groups. These modifications enhance electron‐transfer kinetics and strengthen interactions with target analytes, thereby improving electrochemical sensitivity. In this study, square-wave voltammetry was used, and the most suitable supporting electrolyte for tryptophan (TRP) analysis was a pH 3 Britton–Robinson buffer. The cyclic voltammetry potential range and number of cycles for the Act-GCE were obtained as 0–1.5 V and seven cycles, respectively. The activated electrode exhibited excellent analytical performance, with a linear response for TRP over 0.20–6.28 μM, a detection limit of …

Thiophene-Carbazole-Based Covalent Organic Polymer Electrodes For Electrochromic And Supercapacitor Applications, Si̇nem Altinişik

Turkish Journal of Chemistry

In this study, a thiophene-carbazole-based conjugated organic polymer was successfully synthesized on indium tin oxide (ITO)/glass and graphite sheet substrates using in situ oxidative polymerization. In terms of electrochromic properties, the electrodes exhibited significant color change from light yellow-green to dark gray in the potential range of 0 V to 1.2 V, with optical contrast ranging from 84.2% to 47.2% and coloring efficiency of 171.3 cm2/C. The prepared PCBP-Th_ITO/glass electrode also exhibited fast switching times (tb = 0.89 s and tc = 2.05 s) at 650 nm. Furthermore, 90% optical stability was maintained after 1000 cycles. In terms of energy …

Fabrication Of Cross-Linked Thiophene-Coumarin-Fluorene Donor–Acceptor Pentamer Thin Films For Electrochromic Devices Application, Ari̇fe Aktaş, Mert Akgün, Mücahi̇t Özdemi̇r, Sermet Koyuncu

Turkish Journal of Chemistry

Functionalized p-conjugated polymers have emerged as promising electrochromic materials due to their well-defined molecular structures, facile synthesis, and ability to form smooth and homogeneous thin films. Furthermore, surface cross-linking enhances the mechanical and environmental stability of these films while improving their durability during electrochemical operation. In this study, a unique band gap-tunable pentamer (FBP) was developed featuring a D-A-D-A-D configuration, which includes thiophene, coumarin, and fluorene. Cross-linked films (FBPX) were obtained using both spray and electrospray methods in the presence of tetrathiol-based crosslinkers and 366 nm light, thanks to the functionalizable allyl groups present in the FBP structure. UV–Vis analysis …

Synthesis And Catalytic Activity Of Water-Soluble Ruthenium(Ii) P-Cymene Complexes In Tandem Nitroarene Reduction/N-Methylation And Transfer Hydrogenation, Si̇nem Çakir, Serdar Batikan Kavukcu, Hayati̇ Türkmen

Turkish Journal of Chemistry

In this study, a series of water-soluble ruthenium(II) p-cymene complexes bearing carboxylic acid-functionalized ligands (Ru1–Ru3) were synthesized, fully characterized (1H NMR, 13C NMR, and FT-IR), and evaluated in two distinct catalytic transformations: tandem nitroarene reduction/N-methylation and transfer hydrogenation. Of the catalysts tested, Ru1 exhibited superior catalytic activity in both systems. Under optimized conditions (1 mol% Ru1, 8 mmol NaBH4, 110 °C, 2 h in methanol), Ru1 promoted the one-pot tandem transformation of nitrobenzene to N-methylaniline with up to 93% conversion using methanol as a sustainable C1 and H2 source. Furthermore, Ru1 proved highly effective in the transfer hydrogenation of acetophenone …

Samarium-Doped Ceria Catalysts For Boron-Aluminum Composite Propellants: Effect Of Synthesis Method, Di̇lara Güçtaş Gürel, Mehmet Ali̇ Faruk Öksüzömer

Turkish Journal of Chemistry

Solid propellants based on ammonium perchlorate (AP) are widely used in rocket and missile propulsion systems due to their high energy density and reliable combustion characteristics. Although aluminum (Al) is the conventional metal fuel in AP-based formulations, boron (B) has gained increasing attention as a partial or full substitute owing to its significantly higher volumetric energy density. However, the low combustion efficiency of boron particles remains a critical challenge, making the use of catalysts essential to enhance the thermal decomposition of AP and overall propellant-burning performance. In this study, samarium-doped ceria (SDC20) catalysts were synthesized by three different methods including …

Rapid Synthesis Of Agcu Bimetallic Nanodendrites With Enhanced Catalytic Activity For 4-Nitrophenol Reduction, Jun Liu, Hongguang Liao, Xuanyan Liu

Turkish Journal of Chemistry

Herein, AgCu nanodendrites were fabricated via a facile one-step displacement reaction at ambient temperature with Zn powder as the reducing agent. The morphology, structure, and composition of the products were systematically characterized by transmission electron microscopy, X-ray diffraction, and X-ray photoelectron spectroscopy. The results demonstrate that the structure and morphology of the catalysts are strongly dependent on the Ag/Cu molar ratio. The catalytic performance was evaluated by the reduction of 4-nitrophenol (4-NP) at room temperature, in comparison with monometallic Ag and Cu catalysts. The catalytic activity follows the order Ag1Cu1 > Ag1Cu3 > Ag3Cu1 > Ag > Cu. The optimized Ag1Cu1 catalyst achieves 98.6% …

Effects Of Washing, Oxidation, Carboxylation, And Hydrophobicity On The Antibacterial Activity Of Graphene Oxide And Reduced Graphene Oxide, Emi̇r Boztepe, Ceren Poyraz, Ruki̇ye Taşdemi̇r, Ebru Önem, Ümran Sofu, Keri̇m Yapici

Turkish Journal of Chemistry

In this study, the effects of number of washes, oxidation degree, carboxylation, and hydrothermal reduction temperature on the antibacterial activity of graphene oxide (GO) and reduced graphene oxide (rGO) nanomaterials were investigated. GO derivatives with different numbers of washes (1–5W) and oxidation levels (3X, 6X, and 9X), carboxylated GO (GO-COOH), and rGO samples obtained at different hydrothermal reduction temperatures (100, 140, and 180 °C) were characterized by X-ray diffraction, field-emission scanning electron microscopy, Fourier-transform infrared spectroscopy, zeta potential analysis, and Raman spectroscopy, and were subsequently evaluated for antibacterial activity against gram-positive Staphylococcus aureus (S. aureus) and gram-negative Escherichia coli (E. …

Cobalt-Substituted Hydroxyapatite As A Potential Basis Of Biomaterials: Synthesis, Crystal-Chemistry Properties And Antibacterial Activity, Maria M. Vlasova, Ksenia S. Stasenko, Evgeny Bulanov

Turkish Journal of Chemistry

This paper presents the results of the synthesis of solid solutions of cobalt-substituted hydroxyapatite of the composition Ca10-xCox(PO4)6(OH)2 by the solid-phase and solution method. The formation of only the composition of Ca9.5Co0.5(PO4)6(OH)2 has been reliably established, whereas an increase in the cobalt content, as well as an increase in the temperature of synthesis and calcination of the samples prepared in solution, leads to the formation of stable mixtures of calcium and cobalt phosphates. The crystal structure has been refined for Ca9.5Co0.5(PO4)6(OH)2 (a = 9.4121(28) Å, c = 6.8762(20) Å, V = 527.54(35) Å3; R-Bragg = 2.455%) under the assumption of …

Development Of Gluten-Free Cookies Produced From Blends Of Chickpea Flour And Soybean Flour With Rice Flour, Cao Thi Bich Thao, Diana Widiastuti, Chau Minh Thuan, Nguyen Ngoc Thanh Tien, Pham Van Hung

Chimica et Natura Acta

The incorporation of chickpea and soybean flours may improve the nutritional quality of gluten-free cookies, particularly their protein and resistant starch contents. This study investigated the effects of various levels of chickpea or soybean flour (10%, 30%, and 50% w/w) substituted to rice flour on the physicochemical and pasting properties of composite flours, and cookie quality, resistant starch, and sensory properties of gluten-free cookies were evaluated. Proximate analysis revealed that fortification increased the protein from 6.8% to 22.36% in the composite flours. The composite flours showed lower swelling index and higher water absorption capacity than rice flour and both peak …

Simulating Infrared Spectra Of Matrix Isolation Experiments: What Works Best?, Matthew H.V. Graneri, Dino Spagnoli, Duncan A. Wild, Allan J. Mckinley

Research outputs 2022 to 2026

Matrix isolation is an experimental technique which allows spectroscopists to observe highly reactive or weakly bound systems by trapping them in frozen noble gas matrices. In this work, we studied the viability of using ab initio molecular dynamics (AIMD) to simulate several H2S·amine complexes isolated in solid argon crystals, comparing the results with conventional density functional theory (DFT) harmonic and anharmonic calculations to assess the most practical and accurate method to calculate the vibrational spectrum of such systems. While AIMD accurately predicted the intensity ratios of certain peaks, the frequencies themselves were no more accurate than conventional harmonic DFT calculations. …

Direct Electrochemical Detection Of Carbaryl In Water Using Boron-Doped Diamond Electrodes, Natasha Fransisca, Chico Permana Putra, Salma Nur Zakiyyah, Muhammad Ihda Hamlu Liwaissunati Zein, Yeni Wahyuni Hartati, Irkham Irkham

Chimica et Natura Acta

Carbaryl (1-naphthyl methylcarbamate) is a carbamate pesticide used to cause adverse environmental and health effects when misused through water contamination. Therefore, this research aimed to develop a direct electrochemical detection method for carbaryl in aqueous media using boron-doped diamond (BDD) electrodes. In this context, BDD electrodes exhibited superior electrochemical performance compared to conventional materials such as gold (Au), platinum (Pt), and glassy carbon electrodes (GCE) due to a wide potential window, low background current, and excellent chemical stability. Cyclic and differential pulse voltammetry reported a well-defined oxidation peak for carbaryl at 1.30 V, with significantly enhanced sensitivity. The results showed …