CHEM Faculty Publications
Permanent URI for this collection
Browse
Recent Submissions
Item Large negative magnetoresistance in the off-stoichiometric topological semimetal PrSbxTe2-x(American Physical Society, 2025-01-24) Acharya, Gokul; Pandey, Krishna; Sharma, M.M.; Wang, Jian; Karki Chhetri, Santosh; Nabi, Md Rafique Un; Upreti, Dinesh; Basnet, Rabindra; Sakon, Josh; Hu, JinMagnetic topological materials LnSbTe (Ln = lanthanide) have attracted intensive attention because of the presence of interplay between magnetism, topological, and electron correlations depending on the choices of magnetic Ln elements. Varying Sb and Te composition is an efficient approach to control structural, magnetic, and electronic properties. Here, we report on the composition-dependent properties in PrSbxTe2-x. We identified the tetragonal-to-orthorhombic structure transitions in this material system and very large negative magnetoresistance in the x=0.3 composition, which might be ascribed to the coupling between magnetism and transport. Such unusual magnetotransport enables PrSbxTe2-x topological materials as a promising platform for device applications. © 2025 American Physical Society.Item Chemical perspectives on heteroanionic compounds: a potential playground for multiferroics(Royal Society of Chemistry, 2024-10-02) Prasad, Karishma; Nguyen, Vivian; Ji, Bingheng; Quah, Jasmine; Goodwin, Danielle; Wang, JianHeteroanionic compounds, which host two or more different anions, have emerged as a huge family of functional materials. Different from polyanionic compounds, there is no direct connection between anions within heteroanionic compounds. The connectivity between anions and central atoms constitutes various distorted basic building units (BBUs). The linkage between BBUs further promotes the structural flexibility of heteroanionic compounds. The diverse bonding modes of anion-metal interactions, which originate from the various physical and chemical properties of anions, explain the existence of many important applications of heteroanionic compounds. In this short review, we summarize the synthesis, structures, and physical applications of selected heteroanionic compounds. From a synthesis perspective, a deep understanding of crystal growth mechanisms and a better controlled growth process should be emphasized in future research. The interactions between distinct anions and other featured elements such as elements with lone electron pairs, d0 and d10 transition metals, etc., or other systems such as high entropy systems would further promote more interesting applications. Heteroanionic compounds that exhibit comparable structural features with known multiferroics might be new frameworks for discovering multiferroics. Machine learning and quickly developed calculation capabilities can also aid the study of heteroanionic compounds by understanding growth mechanisms, searching for new compounds, and targeting specific properties. © 2024 The Royal Society of Chemistry.Item Prediction of human O-linked glycosylation sites using stacked generalization and embeddings from pre-trained protein language model(Oxford University Press, 2024-10-24) Pakhrin, Subash C.; Chauhan, Neha; Khan, Salman; Upadhyaya, Jamie; Beck, Moriah R.; Blanco, EduardoMotivation: O-linked glycosylation, an essential post-translational modification process in Homo sapiens, involves attaching sugar moieties to the oxygen atoms of serine and/or threonine residues. It influences various biological and cellular functions. While threonine or serine residues within protein sequences are potential sites for O-linked glycosylation, not all serine and/or threonine residues undergo this modification, underscoring the importance of characterizing its occurrence. This study presents a novel approach for predicting intracellular and extracellular O-linked glycosylation events on proteins, which are crucial for comprehending cellular processes. Two base multi-layer perceptron models were trained by leveraging a stacked generalization framework. These base models respectively use ProtT5 and Ankh O-linked glycosylation site-specific embeddings whose combined predictions are used to train the meta-multi-layer perceptron model. Trained on extensive O-linked glycosylation datasets, the stacked-generalization model demonstrated high predictive performance on independent test datasets. Furthermore, the study emphasizes the distinction between nucleocytoplasmic and extracellular O-linked glycosylation, offering insights into their functional implications that were overlooked in previous studies. By integrating the protein language model’s embedding with stacked generalization techniques, this approach enhances predictive accuracy of O-linked glycosylation events and illuminates the intricate roles of O-linked glycosylation in proteomics, potentially accelerating the discovery of novel glycosylation sites. Results: Stack-OglyPred-PLM produces Sensitivity, Specificity, Matthews Correlation Coefficient, and Accuracy of 90.50%, 89.60%, 0.464, and 89.70%, respectively on a benchmark NetOGlyc-4.0 independent test dataset. These results demonstrate that Stack-OglyPred-PLM is a robust computational tool to predict O-linked glycosylation sites in proteins. Availability and implementation: The developed tool, programs, training, and test dataset are available at https://github.com/PakhrinLab/ Stack-OglyPred-PLM. © The Author(s) 2024. Published by Oxford University Press.Item Advancements in tantalum based nanoparticles for integrated imaging and photothermal therapy in cancer management(Royal Society of Chemistry, 2024-10-23) Ifijen, Ikhazuagbe H.; Christopher, Awoyemi T.; Lekan, Ogunnaike K.; Aworinde, Omowunmi R.; Faderin, Emmanuel; Obembe, Oluwafunke; Abdulsalam-Akanji, Tawakalitu F.; Igboanugo, Juliet C.; Udogu, Uzochukwu; Ogidi, Godwin O.; Iorkula, Terungwa H.; Osayawe, Osasere J.-K.Tantalum-based nanoparticles (TaNPs) have emerged as promising tools in cancer management, owing to their unique properties that facilitate innovative imaging and photothermal therapy applications. This review provides a comprehensive overview of recent advancements in TaNPs, emphasizing their potential in oncology. Key features include excellent biocompatibility, efficient photothermal conversion, and the ability to integrate multifunctional capabilities, such as targeted drug delivery and enhanced imaging. Despite these advantages, challenges remain in establishing long-term biocompatibility, optimizing therapeutic efficacy through surface modifications, and advancing imaging techniques for real-time monitoring. Strategic approaches to address these challenges include surface modifications like PEGylation to improve biocompatibility, precise control over size and shape for effective photothermal therapy, and the development of biodegradable TaNPs for safe elimination from the body. Furthermore, integrating advanced imaging modalities—such as photoacoustic imaging, magnetic resonance imaging (MRI), and computed tomography (CT)—enable real-time tracking of TaNPs in vivo, which is crucial for clinical applications. Personalized medicine strategies that leverage biomarkers and genetic profiling also hold promise for tailoring TaNP-based therapies to individual patient profiles, thereby enhancing treatment efficacy and minimizing side effects. In conclusion, TaNPs represent a significant advancement in nanomedicine, poised to transform cancer treatment paradigms while expanding into various biomedical applications. © 2024 The Royal Society of Chemistry.Item Activation of muscle amine functional groups using eutectic mixture to enhance tissue adhesiveness of injectable, conductive and therapeutic granular hydrogel for diabetic ulcer regeneration(Elsevier Ltd, 2025-01) Sheikhi, Mehdi; Jahangiri, Parisa; Ghodsi, Saman; Rafiemanzelat, Fatemeh; Vakili, Shaghayegh; Jahromi, Maliheh; Tehrani, Firoozeh K.; Siavash, Mansour; Esmaeili, Fariba; Solgi, HamidHerein, Polydopamine-modified microgels and microgels incorporated with superficial epoxy groups were synthesized and applied as precursors for the fabrication of four granular hydrogels. To enhance the tissue adhesiveness, a ternary deep eutectic solvent was synthesized to activate the muscle amine functional groups facilitating the formation of robust N–C bonds at ambient conditions. At a certain shear rate of 10 s−1, hydrogel DMG displayed a viscosity of 9×103 Pa/s, representing the highest complex viscosity among the tested hydrogels primarily driven by quinone groups in PDA which enhanced reversible interactions, thereby increasing particle cohesion. Moreover, the intersection point escalating from about 4×103 to approximately 9×104 as the concentration of DMG increased from 0 % (for MG) to 70% (7D3MG) by weight. There was a decrease in adhesion strength from 0.45 ± 0.08 N in MG to 0.39 ± 0.16 N, 0.35± 0.18 N, and 0.33 ± 0.15 N for 3D7MG, 7D3MG, and DMG respectively, suggesting that MG was capable of forming numerous covalent bonds, thereby enhancing its adhesion to the substrate. The type of eutectic mixture affected the electrical conductivity and a very important point was the changes in resistance value with time. For MG catalyzed by [DES]AZG, the resistance increased only by 1.3 % (from 3.37 to 3.81 kΩ) at day 3 and 37.09 % (from 3.37 to 4.62 kΩ) at day 5. The 3D7MG hydrogel exhibited superior therapeutic efficacy toward diabetic wound regeneration. The proliferation index value for 3D7MG-[DES]AZG and 3D7MG-[DES]AG were calculated 42.3 % and 58.6 %, respectively, while the control group exhibited a lower value of 37.8 %. © 2024 Elsevier B.V.