26419 research outputs found
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Investigating the In Vitro Antimicrobial Potential and Comprehensive Computational Studies of New Schiff Base Derivatives
No full textAntimicrobial resistance (AMR) is a growing global health threat driven by multidrug-resistant bacteria (Staphylococcus aureus, Pseudomonas aeruginosa), and fungi (Candida albicans, and C. parapsilosis). This study evaluated six novel Schiff base derivatives (HSB-1 to HSB-6) through integrated in vitro antimicrobial activity and comprehensive computational studies. In vitro disk diffusion assay demonstrated the largest zones of inhibition against S. aureus for HSB-6 and HSB-1 (15–17 mm), activity against P. aeruginosa for HSB-5 and HSB-6 (12 mm), and moderate antifungal activity for HSB-4 (8–11 mm). Molecular docking results correlated with the in vitro findings with the binding energy ΔG = −12.3 kcal/mol for HSB-5 against LasR (P. aeruginosa), showing key interactions involving hydrogen bonding and hydrophobic contacts. Molecular dynamics (MD) simulations of 100 ns validated protein-ligand complex stability (low RMSD, compact Rg, and persistent hydrogen bonds). DFT calculations at the B3LYP/6-311G (d, p) level revealed electronic properties consistent with the reactivity: HSB-5 highlighted an intermediate HOMO-LUMO gap (ΔE = 3.74 eV) while HSB-6 and HSB-1 displayed lower gaps (3.09 and 3.12 eV, respectively); NBO and Fukui analyses identified electrophilic nitro/imine groups and nucleophilic π-carbons as likely interaction sites. ADMET profiling indicated drug-likeness for most compounds: high GI absorption for five derivatives (LogP 2.4–4.5); predicted BBB permeability for HSB-2 to HSB–4; CYP inhibition profiles consistent with metabolic stability; and LogS −3.4 to −5.9. Safety flags include Ames positivity for HSB-4 to HSB-6 and predicted hepatotoxicity for HSB-1. Overall, HSB-5 emerges as a balanced lead combining in vitro efficacy and favorable computational profiles which supports its prioritization for optimization against anti-microbial resistance
January Gill O\u27Neil
No full textPublicity photo submitted by author/presenter for ODU\u27s Annual Literary Festival 2025.https://digitalcommons.odu.edu/litfest_images/1007/thumbnail.jp
Christal Brown
No full textPublicity photo submitted by author/presenter for ODU\u27s Annual Literary Festival 2025.https://digitalcommons.odu.edu/litfest_images/1017/thumbnail.jp
Critical Design and the Robotic Imaginary: Design Criticism and Critical Robots
No full textThis paper brings critical design and design criticism to critical robot studies. Critical design can be described as an umbrella term for approaches making use of speculative designs to highlight and challenge narrow assumptions, preconceptions or even taken-for-granted truths about the role products play (in a wide sense) in everyday life. Design criticism refers to a reasoned procedure that investigates emancipatory and/or limiting potentials of designs, theorizes the roles of affordances, materials and embodied perception as epistemological resources in media interaction, and clarifies connections between specific design choices and their associated experiential qualities, seductive powers, ideological underpinnings, material operations, and historical connections. Through an analysis of three cases of critical robots, the paper examines overlaps, oscillations, disruptions, and similarities between art and design, imagination and reality, and problems and solutions. The paper concludes by proposing three analytical additional design dimensions that relate particularly to critical robots and their potential implications for human-robot interaction and human-machine communication. In summary, the paper demonstrates (a) how an informed critique of specific cases of critical robots in themselves can help us unfold new layers of critical commentary, which in turn can inform design, (b) how the method for critiquing (critical) robots can be developed further, providing a more robust way of reading, evaluating, and drawing design implications. It also proposes that criticality, as performed by robots, could take on a more mischievous character, aiding other actants in their critical being and becoming
Beginning Self-Study Research: A Practical Guide
No full textThis book is an essential guide for novice and experienced self-study researchers, offering practical insight into the lived experience of conducting self-study research. Unlike abstract methodologies, self-study is embodied through practice and often learned collaboratively. Because it resists traditional instruction, newcomers frequently ask S-STEP researchers: “How does one learn self-study?” This recurring question highlights the need for accessible frameworks and processes to support emerging scholars. By addressing this gap, the book equips readers with foundational tools to navigate the complexities of self-study and fosters deeper understanding of how to learn through reflective inquiry and shared exploration.
Each chapter is supported by existing literature on self-study research, as well as examples from the authors\u27 own experiences and the experiences of others. The inclusion of prompts, activities, and recommended resources in each chapter enhances the learning process. With this book as a guide, we hope that S-STEP researchers will individually and collaboratively learn how to effectively conduct self-study research and contribute meaningfully to the scholarly community by making their self-study research public. [From the publisher]https://digitalcommons.odu.edu/teachinglearning_books/1047/thumbnail.jp
Co-Sputtered CuNi Heteroatomic Electrocatalyst for Enhanced 5-Hydroxymethylfurfural Selective Electrochemical Conversion
No full textThe electrochemical conversion of biomass-derived 5-hydroxymethylfurfural (HMF) represents a promising, economically viable, and environmentally sustainable approach for producing value-added chemicals using renewable energy and in situ hydrogen generated through water electrolysis. However, the electrochemical hydrogenation (ECH) of HMF remains challenging due to the inherently low catalytic activity and selectivity of the electrodes, compounded by competition with the kinetically favored hydrogen evolution reaction (HER) in aqueous electrolytes. In this work, we demonstrate that CuxNi100-x heteroatomic thin films, fabricated via direct current (DC) magnetron co-sputtering, achieve a more than one order of magnitude increase in the HMF to 2,5-Bis-hydroxymethylfuran (BHMF) conversion rate, with nearly 50% faradic efficiency (FE) for BHMF, when compared to pure Cu and Ni electrodes (~ 10% BHMF FE). Our results suggest that the synergistic interaction between Cu and Ni creates an optimal catalytic environment for both HMF and adsorbed hydrogen (Hads) species, thereby enhancing BHMF formation through the ECH pathway