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A Review on Use of Electrolytes in Catalytic/ Sub-Stoichiometric Amounts in Electro-Organic Synthesis: A Much Greener Approach
Get PDFIn this review, we have discussed the various types of organic electrochemical reactions which use catalytic/sub-stoichiometric amount of inorganic and/or organic salts as electrolytes. We have also presented the plausible mechanism of each electro-organic reaction. This review article highlights notable examples of electro-organic synthesis published from 2000 to 2023
Waste carbon and carbon nanotube composite paste electrode for ferulic acid detection
No full textWaste carbon and carbon nanotubes were combined to create a polymer-modified composite paste electrode. The improved electrode’s electrochemical analysis and effectiveness for the electrocatalytic oxidation of ferulic acid were reported. The sensor was used to examine the electrocatalytic oxidation of ferulic acid utilizing cyclic voltammetry and differential pulse voltammetry as diagnostic methods. It has been discovered that the modified surface of the electrode oxidizes ferulic acid with a higher current response than that of an unmodified electrode. For ferulic acid, DPV shows a detection limit of 0.513 μM and a linear dynamic range of 0.2 μM to 4.0 μM. A simultaneous study also conducted with vanillin, the produced sensor showed exceptional sensitivity and selectivity. Finally, the ferulic acid in the genuine sample was determined using the modified electrode. © Springer-Verlag GmbH Austria, part of Springer Nature 2025
Comprehensive Computational Study of a Novel Chromene-Trione Derivative Bioagent: Integrated Molecular Docking, Dynamics, Topology, and Quantum Chemical Analysis
No full textThis work thoroughly investigated the compound 4-(2,5-Dimethoxyphenyl)-3,4-dihydrobenzo[g]chromene-2,5,10-trione (DMDCT) using molecular docking, quantum chemical analysis, and vibrational spectroscopy methodology. The medicinal chemistry group has been particularly interested in chromene and benzochromene derivatives due to their wide range of pharmacological actions, including anticancer, antibacterial, anti-inflammatory, antioxidant, antiviral, and neuroprotective capabilities. In this connection, DMDCT has been explored to evaluate its biological, electrical, and structural properties. DFT using the B3LYP functional and 6–31G basis was established to conduct theoretical computations with the Gaussian 09 program. The findings from these computations provide insight into the following topics: NBO interactions, optimal molecular geometry, Mulliken charge distribution, frontier molecular orbitals, and MEP. Second-order perturbation theory has been used to assess stabilization energies arising from donor–acceptor interactions. Furthermore, general features such as chemical hardness, softness, and electronegativity were studied. The results suggest that DMDCT has stable electronic configurations and biologically relevant active sites. This integrated experimental and theoretical study supports the potential of DMDCT as a practical scaffold for future therapeutic applications and contributes valuable information regarding its vibrational and electronic behavior. © 2025 by the authors
In-silico studies of 3- tert -butyl-7-[2-phenyl ethenyl]-4 H -[1,3,4]thiadiazolo[2,3- c ][1,2,4] triazin-4-one as a Potential SARS-CoV-2 Inhibitor: Insights from an experimental and computational approach
No full textThe novel thiadiazole-triazine derivative 3-tert-butyl-7-L2-phenyl ethenyl]-4H-L1,3,4]thiadiazoloL2,3-c]L1,2,4] triazin-4-one (TCA1) has been synthesized and characterized spectroscopically. The molecular structure of the compound has been determined by single crystal X-ray diffraction (XRD) study. Hirshfeld surface analysis was carried out to know the various non-covalent interactions present in the crystal. Also, density functional theory (DFT) calculations were performed to explore the electronic properties of the molecule and various physicochemical properties of the compound (TCA1), which were correlated well with the results finding from XRD. Frontier molecular orbitals (FMO) analysis, Molecular Electronic Potential (MEP), and quantum chemical reactivity analyses have been performed. Further, Molecular docking analysis was carried out to elucidate the binding ability of TCA1 with Omicron version of SARS-COV-19 spike protein. The binding efficacy of TCA1 with the molecular targers was compared with that of remdesivir (SARS-CoV-2). The molecular docking study was validated by molecular dynamics simulation study of Omicron version of SARS-COV-19 spike protein
Artificial intelligence in justice and penal systems: toward a post-human legal order
No full textThough the integration of artificial intelligence (AI) displays glaring legal
discontinuities, AI is quickly changing the fundamentals of justice and penal
systems. Existing legislation is unclear on accountability for algorithmic
failures, the evidential admissibility of AI-generated outputs, and protections
against predictive overreach. These gaps risk undermining fundamental
rights while delaying the constitutional promise of speedy trial. This article
advances a novel doctrinal model—post-human jurisprudence—that
reconceptualizes AI not as a neutral tool but as a regulated procedural actor.
It introduces original doctrines such as Kinetic Liberty to limit surveillance
of bodily motion in prisons, Blockchain Habeas Corpus to safeguard digital
records through immutability and contestability, and Digital Rehabilitative
Equity to treat algorithmic access to education as a right rather than a
privilege. In judicial practice, innovations like Assisted Judging,
Documentary Primacy Rules, and Algorithmic Roster Laws integrate AI into
adjudication while constitutionally preserving human oversight. Through
comparative insights from Prometea (Argentina) and Abu Dhabi’s case-
registration system, the article highlights both efficiency gains and normative
risks. The analysis culminates in forward-looking proposals—Layered
Liability Grids, Bias Deconstruction Mandates, and Transparency
Charters—that embed accountability and fairness in law. Together, these
frameworks lay the groundwork for a systemic legal redesign where AI
enhances case disposal speed without compromising justice
Influenza vaccination uptake of health care workers in a tertiary hospital:findings from qualitative research in Mysuru, India
No full textVaccinating health care workers (HCWs) is a common way to prevent influenza-related infection, transmission to patients and absenteeism of HCWs. In India, influenza
contributes to 130,000 deaths per year, yet vaccination uptake of HCWs is low. Fifteen percent of the HCWs received one or more vaccinations in 5 years. This study
explored the social context of influenza vaccine uptake among HCWs, including physicians, nurses and medical students at a teaching hospital in Mysuru, South India,
to generate insights to inform influenza vaccination campaigns targeting HCWs. Qualitative methods, including in-depth interviews with HCWs and structured
observations at various departments of the hospital were applied. The results indicate that influenza vaccination uptake among HCWs is low due to personal factors related
to little perceived personal threat, emphasis on other prevention techniques to avoid transmission, cost of the vaccine and needle anxiety. Besides, institutional factors,
absence of recommendations from superiors and lack of promotion campaigns contribute to low uptake. In conclusion, HCW vaccination education and promotion regarding diminishing personal and transmission risk of the influenza virus, uniform vaccination guidelines and strategies to improve access including for those who are
burdened by the cost of the vaccine are suggested
Chitosan-metal and metal oxide nanocomposites for active and intelligent food packaging; a comprehensive review of emerging trends and associated challenges
No full textIn recent years, significant advancements in biopolymer-based packaging have emerged as a response to the
environmental challenges posed by traditional petroleum-based materials. The drive for sustainable, renewable,
and degradable alternatives to fossil-based components in the packaging industry has led to an increased focus on
chitosan, the second most abundant biopolymer after cellulose. Chitosan offers intrinsic properties such as
biodegradability, biocompatibility, antimicrobial activity, excellent barrier and film-forming capabilities, posi-
tioning it as an ideal candidate for food packaging applications. However, limitations including inferior me-
chanical, thermal, barrier properties, and brittleness compared to conventional plastics have limiting its
widespread adoption in the food packaging industry. Chitosan has been extensively utilized in various forms,
particularly as nanocomposites incorporating metal nanoparticles, leading to chitosan-based nanocomposite
films/coatings that synergistically combine the advantageous properties of both chitosan and metal nano-
particles. Through an in-depth analysis of the current research (primarily the last 5 years), this review delves into
the physicochemical, mechanical, sensing, and antimicrobial properties of chitosan nanocomposite as an inno-
vative food packaging material. This review will provide insights into the potential toxicity and environmental
impact of nanoparticle migration, as well as the prospects and challenges associated with chitosan-metal/metal
oxide nanocomposite films in the development of sustainable packaging solution
Impact of barium oxide on the structural, thermal, and chemical properties of bismuth borate glasses for optical and thermal applications
No full textThis study examines the impact of barium oxide on the physical, chemical, and thermal properties of bismuth
borate glasses with the composition (BaO)x.(Bi2O3⋅3B2O3)(1-x), where x = 0, 0.2, 0.4, 0.6, and 0.8 mol%. Physical
parameters, including density (ρ), molar volume (Vm), oxygen packing density (OPD), and molar oxygen pro-
portion (VO), were evaluated as a function of the BaO content. The results indicate that increasing BaO con-
centration leads to higher density and lower molar volume, suggesting the formation of a more compact oxide
network with the incorporation of non-bridging oxygen atoms. The oxygen packing density (OPD) initially in-
creases (8.786 g.atm/L at x = 0.2) before decreasing, while the molar volume peaks at x = 0.4, which can be
attributed to the transition from BO3 to BO4 units. X-ray diffraction (XRD) analysis confirmed that all glass
samples were amorphous. Thermal analysis revealed that the glass transition temperature (Tg) and crystallization
temperature (Tc) increased with the addition of BaO. Fourier transform infrared (FTIR) and Raman spectroscopy
identified characteristic absorption bands associated with [BO3], [BO4], [BiO3], and [BiO6] units, highlighting
the depolymerization of the glass network. Optical absorption studies indicate a decrease in band gap energy
from 2.85 to 2.61 eV for direct transitions and 2.59 to 2.03 eV for indirect transitions with increasing BaO
content. This implies the formation of unbridged oxygen atoms, a conclusion that is supported by the physical
and structural results. XPS results show the coexistence of Bi3+ and Bi5+, linked to the reduction of oxygen
bridging bonds. SEM and EDS analyses revealed increased granular features and non-uniformity with rising BaO
content. This comprehensive characterization highlights that barium oxide (BaO) significantly impacts the
structural, thermal, and chemical properties of bismuth borate glasses, thereby enhancing their potential ap-
plications in optical devices
Accelerated photocatalytic degradation of furaltadone antibiotic over a dual Z-scheme Er2Sn2O7/NiS2/V@g-C3N4 heterostructure by persulfate under visible-light irradiation: DFT, toxicity, and antibacterial activity studies
No full textEffective photodegradation of water pollutants depends on developing highly efficient photocatalysts that can
efficiently use visible light and promote the quick movement of photoinduced charge carriers. A novel dual Z-
scheme Er2Sn2O7/NiS2/V@g-C3N4 heterostructure photocatalyst was successfully prepared using a hydrothermal
approach followed by mechanical grinding. The Er2Sn2O7/NiS2/V@g-C3N4 composite exhibited 81.39 % fur-
altadone (FTD) photodegradation efficiency within 90 min when combined with persulfate (PS). In the present
system, a pseudo-first-order rate constant (k = 0.0421 min 1, R2 = 0.991) was found. Furthermore, work
function calculations validated the presence of a dual Z-scheme charge-migration pathway in the Er2Sn2O7/NiS2/
V@g-C3N4 system. Theoretical calculations and experimental studies proposed a photocatalytic mechanism,
potential intermediates, and photodegradation pathways. According to scavenger studies, the main active species
were h+, O2
•–, SO4
•–, and •OH. Biotoxicity assessments of the degraded FTD solution confirmed that the toxicity
was lower than that of the initial solution, as confirmed by mung-bean germination and S. aureus cultivation
experiments
A highly selective Schiff base chemosensor for rapid colorimetric detection of Fe2+ and fluorometric detection of Al3+ ions: Synthesis, characterization, real water sample analysis and DFT studies
Get PDFThis study reports a new Schiff base ligand, (Z)-1-(4-methoxyphenyl)-N-(2-nitrophenyl)methanimine) (MNP) and its characterization using ESI-MS, 1H NMR, 13C NMR, FT-IR, UV-Visible spectroscopic and fluorometric techniques. Further, MNP showed a significant colour shift from yellow to colourless in the presence of Fe2+ ion and it also exhibited a fluorometric "turn off" response when Al3+ ion was present in DMSO solution (HEPES 0.01 M, pH = 7.4) at room temperature. It was found that the binding propensity of MNP to Al3+ and Fe2+ ions were identified to be in 2:1 ratio (ligand:metal) by employing Job's plot. It is worth to mention that the MNP probe showed an excellent selectivity and sensitivity in detecting Al3+ and Fe2+ metal ions, in contrast with the other metal ions (Cu2+, Co2+, Mn2+, Zn2+, Ni2+, Fe3+, Pb2+, V5+, Na+, K+, Hg2+, Cr2+ and Ce3+). From the results obtained the detection limits (LOD) for Fe2+ and Al3+ were found to be 0.1 mu M and 0.2 mu M, respectively. Additionally, MNP was successfully employed in smart phone application, which was used to calculate the LOD for both Al3+ and Fe2+ ions and found the similar detection limits as obtained through spectrophotometric measurements. This will help to determine solution of unknown concentration by calculating the RGB values. Furthermore, MNP was effectively utilised for construction of logic gates and quantitative detection of Al3+ and Fe2+ in real water samples. In addition, we conducted a detailed computational modelling analysis of MNP and its Al3+ complex, utilizing a combination of density functional tight binding (DFTB) and density functional theory (DFT) calculations. The findings provide valuable insights into their local reactivity properties