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A sustainable approach to energy generation from recycled capacitors and batteries: intelligent fluid monitoring device
No full textThe rapid rise in electronic waste (e-waste) necessitates sustainable energy and waste valorization strategies. This study presents an e-waste-based triboelectric nanogenerator (EW-TENG) using upcycled components, aluminium electrolytic capacitors, Metallized Polypropylene Self-Healing (MPP-SH) capacitors, and lithium/zinc-ion batteries. Classified as film or powder-based, these materials were integrated with polyvinyl alcohol (PVA) to form composite films, serving as tribopositive layers against polyvinylidene fluoride (PVDF) in a vertical contact-separation mode. Aluminium (Al) foil and recycled polyethylene terephthalate (PET) were used as electrodes and substrate, respectively. The optimized EW-TENG produced an output of 274.40 V, 12.32 μA, and a peak power of 144.30 mW at 130 MΩ. It successfully powered 70 LEDs and a digital wristwatch, and also operated as a liquid-level sensor via a floating electrode mechanism. This multifunctional device offers a sustainable, low-cost solution for energy harvesting and sensing, highlighting the potential of e-waste in powering household, industrial, and agricultural applications
Dual-functional CuO/ZrO2/Al2O3 nanocomposite with tailored p–n heterojunction interfaces for enhanced dye degradation and antimicrobial efficiency
No full textA highly efficient CuO/ZrO2/Al2O3 ternary nanocomposite was synthesized using a green and cost-effective electrochemical method. The crystallinity, morphology, elemental composition, surface adsorption (BET), optical, catalytic and biological properties of the nanocomposite was systematically characterized using advanced analytical techniques. XRD analysis confirmed the presence of distinct peaks corresponding to CuO, ZrO2, and Al2O3, indicating the successful formation of a visible-light-active catalyst. SEM images revealed strong interfacial interactions between CuO and ZrO2 integrated within the porous, high-surface-area structure of Al2O3, UV-Visible and DRS analysis determined the band gap energy to be 2.5 eV. The nanocomposite demonstrated excellent photocatalytic efficiency in degrading Indigo Carmine (IC) dye, achieving up to 95  removal. The high surface area of Al2O3 (195 m²/g) facilitated dye adsorption, while the CuO– ZrO2 heterojunction enhanced charge separation: sunlight-excited electrons from p-type CuO were transferred to n-type ZrO2 reducing recombination. Additionally, the nanocomposite exhibited significant antimicrobial activity against various bacterial and fungal strains, outperforming standard references. The novelty of this work lies in the green electrochemical synthesis of a CuO/ZrO₂/Al₂O₃ ternary heterojunction photocatalyst that uniquely combines high surface area, efficient charge separation, and visible-light activity, enabling dual photocatalytic and antimicrobial functionality
The transformation of American courts from conventional adjudication to smart judicial systems
No full textThe American judicial system has historically relied on conventional adjudicatory structures characterized by physical courtrooms, paper-based documentation, and manual procedural mechanisms. While this traditional framework ensured institutional stability and adherence to due process, it has increasingly struggled to accommodate rising caseloads, procedural complexity, and contemporary demands for efficiency and accessibility. In response, courts across the United States have undergone a significant transformation toward Smart Judicial Systems, marked by the integration of digital technologies such as electronic filing platforms, virtual hearings, automated case management systems, artificial intelligence–assisted legal tools, and data-driven judicial administration. This article adopts a doctrinal research methodology to examine the legal and institutional evolution of American courts from conventional adjudication to Smart Courts. It analyzes constitutional provisions, judicial precedents, statutory frameworks, and administrative rules governing court digitization, with particular attention to due process guarantees, judicial independence, transparency, and access to justice. The study critically evaluates the normative justifications for smart court adoption while identifying doctrinal tensions arising from algorithmic decision-support systems, data privacy concerns, and technological disparities among court users. The article argues that while Smart Judicial Systems enhance procedural efficiency and administrative capacity, their legitimacy ultimately depends on strict adherence to constitutional principles and robust regulatory safeguards. It concludes that doctrinal coherence, rather than technological advancement alone, must guide the integration of smart technologies into the American judiciary to ensure that innovation strengthens rather than compromises the foundational values of the justice system
Comprehensive analysis of triazolothiadiazole derivative: From synthesis and crystal structure to quantum chemical and molecular simulation studies on JAK2 protein
No full textIn the present work, a triazolothiadiazole derivative 4-(3-(pyridin-4-yl)-7H-1,2,4triazolo3,4-b1,3,4thiadiazin-6-yl)phenol PTTP was synthesized and systematically investigated through experimental and computational approaches to establish the structural features and biological potential. The synthesized compound was characterized by standard spectroscopic techniques (LCMS, FT-IR, NMR, and UV–Vis), confirming the molecular frameworks. Single-crystal X-ray diffraction revealed that the crystal is stabilized by intermolecular interactions of the type C13B-H13B•••O1 (2.444 Å) and O1-H1•••N5B (1.949 Å). The influence of these non-covalent interactions was further examined using Hirshfeld surface analysis, providing a quantitative understanding of molecular packing contributions. Density functional theory (DFT) simulations at the B3LYP/6–311++G(d,p) level accurately predicted molecular geometry and matched experimental results. The HOMO-LUMO energy gap of the compound is 3.968 eV. The docking analysis between JAK2 inhibitors and PTTP compound showed docking score of -9.5 kcal/mol, indicating favorable binding affinity. The docking results were further validated through molecular dynamics (MD) simulations, which demonstrated the stability and dynamic behavior of the protein–ligand complexes under physiological conditions
Nucleotide-dependent structural dynamics and domain motion in Coxiella burnetii EngA GTPases: Insights from molecular dynamics simulation
No full textEngA, a ribosome-associated bacterial GTPase essential for 50S subunit maturation and bacterial growth, lacks a human ortholog, making it an attractive antibacterial target. Its activity is governed by a nucleotide-dependent molecular switch: GTP binding promotes EngA association with the immature 50S subunit and facilitates rRNA processing, whereas GTP hydrolysis to GDP triggers dissociation from the ribosome. Structural studies on Bacillus subtilis EngA revealed that GTP-analog-bound EngA disrupts the GD1-KH interface required for 45S subunit association, while GDP-bound EngA retains these interactions. However, the molecular mechanism by which nucleotides regulate these transitions and whether similar mechanisms exist in other pathogenic species remain unclear. To address this, 1000 ns molecular dynamics simulations of Coxiella burnetii EngA was performed in four nucleotide-bound states: GDP:GDP, GDP:GTP-Mg2+, GTP-Mg2+:GDP, and GTP-Mg2+:GTP-Mg2+. Analyses of principal components, interaction energies, and distance-angle parameters revealed nucleotide-dependent domain dynamics. In the GTP-Mg2+:GTP-Mg2+ state, GD1 and KH domains moved apart, forming an open conformation, while in GDP:GDP they approached each other, forming a closed conformation consistent with cryo-EM structures. Community network analysis further showed that GDP binding to GD1 extends connectivity from the nucleotide to SwI, stabilizing SwI-KH interactions and restricting GD1 motion. In contrast, GTP-Mg2+ binding disrupts this network, enabling SwI-GD2 interactions that weaken the GD1-KH interface and promote an open conformation. Overall, the results highlight how nucleotide charge-dependent interactions regulate EngA allosteric network and drive its conformational switching mechanism
Quinazoline-oxadiazole hybrids: Synthesis, SC-XRD, Hirshfeld surface analysis and computational investigations
No full textA novel series of twelve quinazoline-based oxadiazole hybrids was synthesized via a concise four-step synthetic route and comprehensively characterized by FTIR, 1H NMR, 13C NMR, and high-resolution mass spectrometry. Single crystal-XRD results confirmed that the para-fluoro-substituted derivative adopts a monoclinic crystal system and is assigned to the P2₁/c space group. The molecular structure featured a nearly coplanar arrangement of the oxadiazole and quinazoline rings, with a dihedral angle of 1.5°, while the fluorophenyl–oxadiazole linkage displayed a dihedral angle of 12.8°, suggesting slight torsional deviation. Hirshfeld surface analysis indicated that intermolecular contacts such as H···F (26.3 ), H···N (8.7 ), H···O (7.3 ), and π···π stacking interactions play a key role in molecular packing and lattice stability. Molecular docking studies were conducted to evaluate the interaction of the synthesized hybrids with histone deacetylase 7 (HDAC7), an epigenetic target implicated in oncogenesis. The docking analysis revealed favorable binding within the HDAC7 active site. Furthermore, a 100 ns molecular dynamics simulation revealed that the HDAC7–ligand complex maintained structural integrity, exhibited minimal RMSD deviations, and preserved key interactions throughout the simulation. ADME predictions using the QikProp module suggested favorable pharmacokinetic properties and drug-likeness. Collectively, the results offer comprehensive structural and computational insights into quinazoline–oxadiazole hybrids, providing a foundation for future biological evaluation. © 202
X-ray structural analysis, quantum chemical computations, molecular docking, and molecular dynamics simulations of Diethyl 5’-amino-3,3-dibromo-2,6-dicyano1,2,3,4-tetrahydro-1,1.3,1-terphenyl 2,4-dicarboxylate
No full textWeak noncovalent forces like hydrogen bond interactions, centroid-centroid interactions, and π…π interactions are the important scaffolds of the various biological systems. An understanding of mutual influence of these noncovalent forces play a pivotal role in the field of crystal engineering, molecular docking, and molecular dynamics etc. X-ray crystal structure study of the title compound (ASH) reveals the space group, geometrical parameters, hydrogen bond interactions, and π…π interactions which are involved in the supramolecular assembly of the crystal. Hirshfeld surface analysis has been carried out to explore the noncovalent interactions which are responsible for crystal packing quantitatively. Electronic properties of the compound were investigated through quantum computational method of density functional theory (DFT). In silico studies were carried out to delve into the binding pattern of the ASH compound against SARS-CoV-2 protein using molecular docking. The compound exhibited a good binding score of -9.1 kcal/mol, which indicates that it can be used as a potential inhibitor of SARS-CoV-2. Further, we carried out molecular dynamics simulations, which reveals the stability of the protein-ligand complex over the simulation period
New Criminal Laws in India and the Rise of the Digital Court System Leveraging AI Technology
No full textIndia’s paradigm shift towards a technology-enabled criminal justice system has received comprehensive statutory recognition through three landmark enactments: the Bharatiya Nyaya Sanhita, 2023 (BNS), the Bharatiya Nagarik Suraksha Sanhita, 2023 (BNSS), and the Bharatiya Sakshya Adhiniyam, 2023 (BSA) fostering towards technological upheaval Read alongside the Information Technology Act, 2000 and the e-Courts Project, these laws establish an integrated legal framework embedding digital processes across investigation, evidence, and adjudication. The BNSS authorizes electronic FIRs, Zero FIRs, audio-video recording of investigative procedures, and electronic service of summons, enabling digitally initiated and managed criminal proceedings. The BSA formalizes the admissibility, authentication, and integrity of electronic evidence, permitting virtual testimony, remote examination of witnesses, and paperless trials. Concurrently, the BNS modernizes substantive criminal law by recognizing technology-driven offences such as cybercrime, digital fraud, and organized crimes reliant on electronic trails. Collectively, these reforms transform digital courts from ad hoc responses into legally empowered institutions. This article analyses how the synchronization of procedural, evidentiary, and substantive law with digital infrastructure advances efficiency, transparency, and access to justice, while reshaping the functioning of India’s criminal courts in a digitally native judicial ecosystem
AI traffic cameras and smart courts: evidence, due process, and the reconfiguration of legal authority
No full textThe deployment of smart traffic cameras and the gradual institutionalization of smart courts represent a significant shift in the architecture of legal enforcement and adjudication. These technologies do not merely enhance administrative efficiency; they restructure the temporal, evidentiary, and institutional foundations of law itself. This article argues that smart traffic enforcement systems create a pre-adjudicatory layer of legality in which violations are detected, classified, and operationally resolved before judicial engagement occurs. When coupled with smart courts that rely on automated or semi-automated processes, this development risks transforming courts from sites of deliberation into mechanisms of validation. The article examines the implications of this shift for evidentiary standards, due process guarantees, and legal accountability. It further proposesdistinct legal pathways through which legal systems may adapt without surrendering normative authority to automated decision-making systems
Structural investigation and computational insight of binary molecular salt crystals of gallic acid with 2-aminopyridine and 3-aminopyridine
No full textThe performance parameters of active pharmaceutical ingredients (APIs) can be tuned to desired values by obtaining their multicomponent forms using suitable coformers and the pharmaceutical applications of these multicomponent forms are decided through the structural studies. With the objective to contribute novel crystal forms of the gallic acid (API), in this article we are reporting the preparation and structural studies using single crystal X-ray diffraction of two molecular salt binary crystals of gallic acid (GA) with 2-aminopyridine (2AP) and 3-aminopyridine (3AP). Confirmation of the interactions between API and coformers was made through PXRD, FTIR, and UV-Vis experimental techniques. Among the two, GA-2AP was crystallized in 2:2 stochiometric ratio whereas, GA-3AP was crystallized in 1:1 stochiometric ratio. Expected R22(8) and R12(5) ring motifs occurred between acid and pyrimidine bases. The thermal behaviour and hence stability of the two compounds were evaluated by the TGA and DTA experiments. Inter molecular interactions of the compounds were investigated using the 3D Hirshfeld surfaces and the associated 2D fingerprint plots. To assess the degree to which chemical entities interact in a crystalline environment, enrichment ratio calculations was performed. Through DFT study, the chemical and physical reactive parameters were determined. The molecular docking study of the two molecular salts was carried out against 6LU7 (A), 6VSB (B), and 6VYB (C) targets of Covid-19 virus