Constant Values Research Articles

Investigation of physicochemical characteristics of Dy3+ modified ZnO nanoparticles

In this report, pristine and Dy3+ modified ZnO nanoparticles [Zn(1-x)DyxO NPs, where x = 0, 0.05, and 0.10] were synthesized using the sol–gel route, and their physicochemical characteristics were investigated. x-ray diffractograms of all the compositions possess P63mc space group depicting hexagonal crystallinity with wurtzite-type crystal structure with no signature of impurities as confirmed using the Rietveld refinement technique. The granular microstructure displayed grain growth with Dy3+ incorporation in the ZnO crystal framework and an increment in average grain size was found to be 22.83 nm for x = 0 to 36.34 nm. The optical energy band gap also increased from 3.35 eV to 3.88 eV with Dy3+ doping in the host ZnO. Dy3+ substitution inhibits the conduction in ZnO and improves the resistivity (36 Ωcm–79 Ωcm) as carrier concentration diminishes from 7.36 × 1016 cm−3 to 4.23 × 1016 cm−3. Similarly, the mean free path length for ZnO and Dy3+ doped ZnO NPs declines from 0.0301 nm to 0.0198 nm. Dielectric properties of all the compositions were investigated using an LCR impedance analyzer and it was observed that Dy3+ substitution enhances the value of the dielectric constant from 32 to 91 with a low tangent loss at 50 Hz.

Synthesis, biochemistry, and in silico investigations of isatin-based hydrazone derivatives as monoamine oxidase inhibitors

Ten isatin-based hydrazone derivatives were synthesized using two subseries, IA (isatin + acetophenone) and IB (isatin + benzaldehyde), and evaluated for their monoamine oxidases (MAOs) inhibitory activity. All the compounds showed stronger MAO-A inhibition than MAO-B, and the IB series showed more effective MAO-A inhibitory activity than IA series. Compound IB4 most potently inhibited MAO-A (half maximal inhibitory concentration IC50 = 0.015 µM), followed by IB3 (IC50 = 0.019 µM). On the contrary, compound IB3 showed the highest MAO-B inhibition (IC50 = 0.068 µM), followed by IB4 (IC50 = 1.87 µM). Compound IB3 and IB4 had low selectivity indices of 3.68 and 8.50, respectively. Structurally, the methyl group of IA series decreased the inhibition of both MAO-A and MAO-B. Among them, IB3 and IB4 (4-Cl and 4-Br in B-ring, respectively) showed higher MAO-A and MAO-B inhibition than the other substitutions. Inhibition constant Ki values of IB3 and IB4 for MAO-A were 0.0088 and 0.0063 µM, respectively, and those for MAO-B were 0.048 and 0.060 µM, respectively. IB3 and IB4 were competitive, reversible inhibitors of MAO-A and MAO-B. Molecular docking analysis predicted that IB3 and IB4 formed stable hydrogen bonds between Asn181 and the NH atom of isatin in the ligand-protein complex. Dynamic analysis revealed that IB3 and IB4 are stable with both MAO isoforms. These observations suggest IB3 and IB4 are potent and reversible MAO-A and MAO-B inhibitors and both compounds can be used as therapeutic agents for neurological disorders.

Radiation exposure and screening yield by digital breast tomosynthesis compared to mammography: results of the TOSYMA Trialbreast density related.

The randomized TOmosynthesis plus SYnthesized MAmmography (TOSYMA) screening trial has shown that digital breast tomosynthesis plus synthesized mammography (DBT + SM) is superior to digital mammography (DM) in invasive breast cancer detection varying with breast density. On the other hand, the overall average glandular dose (AGD) of DBT is higher than that of DM. Comparing the DBT + SM and DM trial arm, we analyzed here the mean AGD and their determinants per breast density category and related them to the respective invasive cancer detection rates (iCDR). TOSYMA screened 99,689 women aged 50 to 69 years. Compression force, resulting breast thickness, the calculated AGD obtained from each mammography device, and previously published iCDR were used for comparisons across breast density categories in the two trial arms. There were 196,622 exposures of 49,227 women (DBT + SM) and 197,037 exposures of 49,132 women (DM) available for analyses. Mean breast thicknesses declined from breast density category A (fatty) to D (extremely dense) in both trial arms. However, while the mean AGD in the DBT + SM arm declined concomitantly from category A (2.41 mGy) to D (1.89 mGy), it remained almost unchanged in the DM arm (1.46 and 1.51 mGy, respectively). In relative terms, the AGD elevation in the DBT + SM arm (64.4% (A), by 44.5% (B), 27.8% (C), and 26.0% (D)) was lowest in dense breasts where, however, the highest iCDR were observed. Women with dense breasts may specifically benefit from DBT + SM screening as high cancer detection is achieved with only moderate AGD elevations. TOSYMA suggests a favorable constellation for screening with digital breast tomosynthesis plus synthesized mammography (DBT + SM) in dense breasts when weighing average glandular dose elevation against raised invasive breast cancer detection rates. There is potential for density-, i.e., risk-adapted population-wide breast cancer screening with DBT + SM. Breast thickness declines with visually increasing density in digital mammography (DM) and digital breast tomosynthesis (DBT). Average glandular doses of DBT decrease with increasing density; digital mammography shows lower andmore constant values. With the smallest average glandular dose differencein dense breasts, DBT plus SM had thehighest difference in invasive breast cancer detection rates.

Synthesis and characterization of flexible CaCoAlFe2O4 based microwave substrate for triband polarization-insensitive metamaterial absorber

This study investigated CaxCo(0.90-x)Al.01Fe2O4 nanoparticle synthesized using the sol–gel synthesis method to achieve a flexible substrate with a high dielectric constant value. The XRD, FESEM, and dielectric characteristic is analyzed to explore the performance of the suggested Ox Wheels-shaped (OWS) metamaterial absorber unit cell. The X-ray diffraction (XRD) analysis found significant peaks at 30° (318), 33° (176), 35° (794), 43° (232), 53° (116), 57° (256), 62° (304), and 74° (126) planes. The dielectric constant values of the prepared nanomaterial materials are 4.52 (X = 90 %), 4.73 (X = 60 %), and 5.07 (X = 30 %) due to the deviations in raw material compositions. The prepared, flexible substrate is used in the anticipated OWS metamaterial absorber unit cell, and analysis has been widely considered and continuously concerned due to their excellent ultra-thin thickness, lightweight, and high absorbance resonance features. The predicted structure reached S21 response at 3.47 GHz, 7.05 GHz, and 10.76 GHz with the magnitude of −24.11 dB, −17.07 dB, and −19.19 dB, respectively, using CST simulation software. The absorber prototype is measured for further investigation within the frequency range of 2.25–2.76, 5.84–6.15 GHz, and 9.63–9.76 GHz, where maximum magnitude is achieved at 2.50 GHz, 6.02 GHz, and 9.70 GHz, respectively. This specific resonance frequency reached the highest 99.61 %, 98.03 %, and 98.79 % absorption, which covers the S, C, and X band frequency spectrum. Various electrical, magnetic, mechanical, and multi-parameter responses are examined to achieve almost perfect absorption (PA). The enormous range of possible uses of metamaterial, such as absorber wave modification, infrared imaging, radiative cooling, energy harvesting, and chemical detection, makes it appreciated. The CaCoAlFe2O4 ferrite-based flexible metamaterial absorber structure has ultra-thin, flexible, and non-corrosive advantages.

Theoretical prediction of perovskite ARH3 (A = K, Li, Rb; R[dbnd]Ca, Sr) hydride materials for hydrogen storage applications: A DFT investigation

Hydrogen (H2) storage has attracted the greatest attention in the contemporary day because of the shortage of fuel. The water splitting is considered less cost-effective and lead-free energy production by the photocatalytic process to produce hydrogen as a fuel for vehicles, petroleum refining, Pharmaceuticals, and glass purification. Perovskite materials play a vital role in H2 storage and production applications. The density functional theory (DFT) using the CASTEP code is used to study the various structural, electrical, optical, mechanical, and hydrogen (H2) capacity properties of ARH3 (A = K, Li, Rb; RSr, Ca) compounds. The compounds under investigations are optimized in the cubic structure; for ARH3 (A = K, Li, Rb; RSr, Ca), the optimized lattice constants are 3.924, 4.302, 4.559, 4.817, 4.647, and 4.884 Å, respectively. Since these hydrides are thermally stable, their formation energy is exhibited negative values. ARH3 may find usage in H2 storage applications due to its high gravimetric H2 storage densities (6.042 and 3.678 wt% for LiCaH3 and KCaH3, respectively). Furthermore, band gaps of 2.71, 2.38, 3.27, 2.73, 1.85, and 2.83 eV for ARH3 (A = K, Li, Rb; RCa, Sr) respectively, confirm the semiconductor behavior. These substances satisfy born stability criteria due to its mechanical parameters which derived from elastic constant values such as Pugh's ratio and modulus. Additionally, Pugh's ratio and Cauchy pressure demonstrate that, in contrast to other compounds, the KCaH3 compound has a ductile character (0.29). According to our analyses, studied compounds are observed a potential candidate for hydrogen storage devices.

In Vitro Ciclopirox Glucuronidation in Liver Microsomes from Humans and Various Experimental Animals.

Ciclopirox is a widely used antifungal drug, redisposition of which has drawn increasing attentions due to multiple promising activities. The drug undergoes extensive glucuronidation, which acts as a major obstacle in the ongoing novel application and still remains poorly understood. The current study aims to phenotype ciclopirox glucuronidation pathway and as well to decipher the related species differences. Ciclopirox glucuronidation was investigated in liver microsomes from humans (HLM) and various experimental animals. Assays with recombinant uridine diphosphate glucuronosyltransferases (UGTs), enzyme kinetic analyses and selective inhibitors were used to determine the role of individual UGTs in ciclopirox glucuronidation. HLM is highly active in ciclopirox glucuronidation withMichaelis-Menten constant (Km),maximum velocity (Vmax), and intrinsic clearance (CLint)values of 139 μM, 7.89 nmol/min/mg, and 56 μL/min/mg, respectively. UGT1A9 displays by far the highest activity, whereas several other isoforms (UGT1A6, UGT1A7, and UGT1A8) catalyze formation of traced glucuronides. Further kinetic analysis demonstrates that UGT1A9 has a closed Km value (167 μM) to HLM. UGT1A9 selective inhibitor (magnolol) can potently inhibit ciclopirox glucuronidation in HLM with the IC50 value of 0.12 μM. The reaction displays remarkable differences across liver microsomes from mice, rats, cynomolgus monkey, minipig, and beagle dog, with the CLint values in the range of 26-369 μL/min/mg. In addition, ciclopirox glucuronidation activities of experimental animals' liver microsomes were less sensitive to magnolol than that of HLM. Ciclopirox glucuronidation displays remarkable species differences with UGT1A9 as a dominant contributor in humans. It is suggested that the pharmacological or toxicological effects ofciclopirox may be UGT1A9 and species dependent.

Performance Evaluation of Fractional Proportional–Integral–Derivative Controllers Tuned by Heuristic Algorithms for Nonlinear Interconnected Tanks

This article presents an in-depth analysis of three advanced strategies to tune fractional PID (FOPID) controllers for a nonlinear system of interconnected tanks, simulated using MATLAB. The study focuses on evaluating the performance characteristics of system responses controlled by FOPID controllers tuned through three heuristic algorithms: Ant Colony Optimization (ACO), Grey Wolf Optimizer (GWO), and Flower Pollination Algorithm (FPA). Each algorithm aims to minimize its respective cost function using various performance metrics. The nonlinear model was linearized around an equilibrium point using Taylor Series expansion and Laplace transforms to facilitate control. The FPA algorithm performed better with the lowest Integral Square Error (ISE) criterion value (297.83) and faster convergence in constant values and fractional orders. This comprehensive evaluation underscores the importance of selecting the appropriate tuning strategy and performance index, demonstrating that the FPA provides the most efficient and robust tuning for FOPID controllers in nonlinear systems. The results highlight the efficacy of meta-heuristic algorithms in optimizing complex control systems, providing valuable insights for future research and practical applications, thereby contributing to the advancement of control systems engineering.

Experimental and artificial intelligence optimization of paint wastewater (PWW) coagulation using novel Phaseolus vulgaris seed extract (PVSE)

This study investigated the application of artificial intelligence algorithms (AIA) in the coagulation treatment of paint wastewater anchored by novel Phaseolus vulgaris seed extract (PVSE). Untreated wastewater discharge harms the ecosystem, and therefore harmful industrial effluent, such as paint wastewater, must be brought to safe discharge levels before being released into the environment. In addition to AIA, comprehensive characterization tests, coagulation kinetics, and process optimization were also executed. Characterization results revealed that total solid in the PWW was above allowable standard, justifying the need for effective particle decontamination. The XRD and FTIR characterization indicated that PVSE structure is amorphous with abundant amine groups. Results of analysis of variance (ANOVA) obtained from process modeling indicated that the coagulation-flocculation process was a nonlinear quadratic system (F-value = 45.51) which was mostly influenced by PVSE coagulant dosage (F-value = 222.48; standardized effect = 14.85). Artificial intelligence indicated that neural network training effectively captured the nonlinear nature of the system in ANN (RMSE = 0.00040194; R = 0.98497), and ANFIS (RMSE = 0.003961) algorithms. Regression coefficient obtained from process modeling highlighted the suitability of RSM (0.9662), ANN (0.9739), and ANFIS (0.9718) in forecasting the coagulation-flocculation process, while comparative statistical appraisal authenticated the superiority of ANN model over RSM and ANFIS models. The coagulation kinetics experiment, which used a coagulation kinetic model, revealed a constant flocculation constant (Kf-value) for all jar test batches and a strong association between the Menkonu coagulation-flocculation constant (Km) and Kf values. Best removal efficiency of 97.01 % was obtained using ANN coupled genetic algorithm optimization (ANN-GA) at PVSE dosage of 4 g/L, coagulation time of 29 min and temperature of 25.1oC.

Chemosensitive Properties of Electrochemically Synthesized Poly-3-Thienylboronic Acid: Conductometric Detection of Glucose and Other Diol-Containing Compounds under Electrical Affinity Control.

Due to the presence of the boronic acid moieties, poly-3-thienylboronic acid has an affinity for saccharides and other diol-containing compounds. Thin films of this novel chemosensitive polymer were synthesized electrochemically on the gold surface. The adhesion of the polymer was enhanced by the deposition of a monomolecular layer of thiophenol. The technology was used to fabricate conductometric sensors for glucose and other diol-containing compounds. Simultaneous two- and four-electrode conductivity measurements were performed. The chemical sensitivity to sorbitol, fructose, glucose, and ethylene glycol was studied at different pH and electrode potentials, and the corresponding binding constants were obtained. Depending on the electrode potential, the reciprocal values of the binding constants of glucose to poly-3-thienylboronic acid at neutral pH are in the range of 0.2 mM-1.0 mM. The affinity for glucose has been studied in buffer solutions and in solutions containing the major components of human blood. It was shown that the presence of human serum albumin increases the affinity of poly-3-thienylboronic acid for diol-containing compounds.

Can Hubble tension be eased by invoking a finite range for gravity?

The estimation of the Hubble constant in the past few decades has increasingly become more accurate with the advancement of new techniques. However, its value seems to depend on the epoch at which the measurements are made. The Planck estimate of the Hubble constant from the observations of the cosmic microwave background radiation in the early universe is about [Formula: see text], whereas that obtained from the distance indicators at the current epoch is [Formula: see text]. This discrepancy between the two groups of measurement is termed as the Hubble tension which has gained much attention in the past few decades with growing significance as measurements from both, the early and the late universe, studies continue to produce results with increasing precision. In this work, we propose a modification to gravity by considering a finite range gravitational field as an alternate explanation for this discrepancy in the value of the Hubble constant.

Can Hubble tension be eased by invoking a finite range for gravity?

The estimation of the Hubble constant in the past few decades has increasingly become more accurate with the advancement of new techniques. However, its value seems to depend on the epoch at which the measurements are made. The Planck estimate of the Hubble constant from the observations of the cosmic microwave background radiation in the early universe is about [Formula: see text], whereas that obtained from the distance indicators at the current epoch is [Formula: see text]. This discrepancy between the two groups of measurement is termed as the Hubble tension which has gained much attention in the past few decades with growing significance as measurements from both, the early and the late universe, studies continue to produce results with increasing precision. In this work, we propose a modification to gravity by considering a finite range gravitational field as an alternate explanation for this discrepancy in the value of the Hubble constant.

Experimental and molecular modelling demonstration of effective DNA and protein binding as well as anticancer potential of two mononuclear Cu(II) and Co(II) complexes with isothiocyanate and azide as anionic residues

In the present study, one mononuclear Cu(II) [CuL(SCN)] (1) and one mononuclear Co(II) [CoLN3] (2) complexes, with a Schiff base ligand (HL) formed by condensation of 2-picolylamine and salicylaldehyde, have been successfully developed and structurally characterized. The square planer geometry of both complexes is fulfilled by the coordination of one deprotonated ligand and one ancillary ligand SCN−(1) or N3−(2) to the metal centre. Binding affinities of both complexes with deoxyribonucleic acid (DNA) and human serum albumin (HSA) are investigated using several biophysical and spectroscopic techniques. High values of the macromolecule-complex binding constants and other results confirm the effectiveness of both complexes towards binding with DNA and HSA. The determined values of the thermodynamic parameters support spontaneous interactions of both complexes with HSA, while fluorescence displacement and DNA melting studies establish groove-binding interactions with DNA for both complexes 1 and 2. The molecular modelling study validates the experimental findings. Both complexes are subjected to an MTT test establishing the anticancer property of complex 1 with lower risk to normal cells, confirmed by the IC50 values of the complex for HeLa cancer cells and HEK normal cells. Finally, a nuclear staining analysis reveals that the complexes have caused apoptotic cell death.

Multi-spectral and docking assessments to explore the combination of an antiviral drug, entecavir and bovine serum albumin

Molecular interaction of entecavir (ETV) with the transport protein, albumin from bovine serum (BSA) was explored through multispectral and molecular docking approaches. The BSA fluorescence was appreciably quenched upon ETV binding and the quenching nature was static. The ETV–BSA complexation and the static quenching process were further reiterated using UV–visible absorption spectra. The binding constant (Ka) values of the complex were found as 1.47 × 104 – 4.0 × 103 M−1, which depicting a modarate binding strength in the ETV–BSA complexation. The experimental outcomes verified that the stable complexation was primarily influenced by hydrophobic interactions, hydrogen bonds and van der Waals forces. Synchronous and 3-D fluorescence spectral results demonstrated that ETV had significant impact on the hydrophobicity and polarity of the molecular environment near Tyr and Trp residues. Competitive site-markers displacement (with warfarin and ketoprofen) results discovered the suitable binding locus of ETV at site I in BSA. The molecular docking assessments also revealed that ETV formed hydrogen bonds and hydrophobic interactions with BSA, predominantly binding to site I (sub-domain IIA) of BSA.

Determination of ionization/protonation constant values of some guanine derivative drugs by traditional/ green RPLC and UV–Vis spectrophotometric methods

In this study, the greenreverse-phase liquid chromatography (RPLC) method was used in addition to the traditional RPLC method to determine the ionization/protonation constants (pKa) of the guanine derivatives ganciclovir, valacyclovir, and valganciclovir. The determination of these values was carried out in binary acetonitrile–water mixtures (for the traditional RPLC method), ethanol–water binary mixtures (for the green RPLC method), and in aqueous solution of a micelle-forming surfactant (for pure micellar chromatography). The pKa values sspKa of the compounds were calculated using the linear solvation energy relationship (LSER) method in the studied hydro-organic and micellar solvent-free mixtures. Moreover, the UV–Vis spectrophotometric method was used to compare the sspKa values of ganciclovir, valaciclovir, and valganciclovir obtained in a acetonitrile–water medium using another method. The pKa values ​​of the examined compounds in water were calculated using the linear relationship between the sspKa values ​​determined in hydroorganic mixtures and some macroscopic values ​​of acetonitrile and ethanol. Additionally, wwpKa values ​​were determined in the micellar solvent-free mobile phase. Subsequently, the wwpKa values calculated by these direct and indirect methods were compared and the agreement between them was excellent. By using the wwpKa value calculated for each compound, the ionization percentages were calculated at different pH (1–12) values with the Henderson-Hasselbalch equation. The environmental impact of the RPLC methods used in this study was assessed using the green metrics tools GAPI and AGREE. The result of the investigation was that the environmental suitability of the green methods is satisfactory.

Predicting decomposition temperatures and carbonization feasibility of heterocycles with their decomposition mechanism

Pyrolysis of heterocyclic compounds such as Meldrum’s acid derivatives was studied with two key mechanisms analysing their energy barrier diagrams by the hybrid density functional theory method M06-2X. The feasibility of these decomposition reactions was calculated specifically for Meldrum’s acid, monomethyl Meldrum’s acid, dimethyl Meldrum’s acid (DMMA), methylene Meldrum’s acid (MeMA) and (dimethylamino)methylene Meldrum’s acid (DMAMeMA), based on previous experimental analysis. Their initial decomposition products (ketene or substituted ketenes with CO2 and acetone) were found endothermic requiring activation energies (∼180–––230 kJ/mol) at the decomposition temperatures of 280, 299, 301, 503 and 414 K respectively. The transition state theory calculations show MeMA and DMAMeMA are thermally more stable than other derivatives with low values for the rate constants and high energy barriers to produce initial decomposition products, suggesting they can produce fine carbon materials during carbonization. DMMA is found the best option for obtaining heteroatoms-doped carbon material formation.

Intrinsic and extrinsic relaxation mechanisms for controlling spin current intensity in Fe 100−x Co x /Ta bilayers

Controlling the damping parameter in metallic ferromagnetic thin films is a key step for spintronic applications in which spin currents are generated by spin pumping. The coexistence of two states with low and high damping constant values would allow to obtain states of high and low spin current intensity, respectively. We have fabricated Fe 100−x Co x /Ta (with nominal x = 0, 15, 20, 25, 30 and 35) bilayers in which the Fe 100−x Co x layers grow epitaxially and the Ta layer is polycrystalline. We have found the coexistence of Gilbert damping and two magnon scattering mechanisms linked to a sign change in the magnetocrystalline anisotropy constant that allows the manipulation of low and high intensity states of the measured inverse spin Hall effect voltage. Bilayers with lower Co concentrations ( x⩽ 25%) present different relaxation mechanisms (isotropic Gilbert damping and two magnon scattering) and an extra ferromagnetic resonance linewidth broadening produced due to mosaicity. Bilayers with Co concentration x> 25% present a dominating Gilbert damping for all directions in the film plane. However, in this concentration range the damping constant is anisotropic and when the magnetic field is applied along the hard magnetization direction α increases ∼420% with respect to the value obtained for the easy magnetization direction. Coexistence of isotropic Gilbert damping and two magnon scattering generated spin currents 2.5 times larger when the field is applied along the hard magnetization axis compared to the value observed in the easy magnetization axis. Thesefindings make the Fe 100−x Co x /Ta system an excellent candidate for spintronic device applications.

Trimethyltin(IV) (p-fluoro-/p‑hydroxy-/p-nitro-)benzoates and their benzimidazole complexes: X-ray structures of [Me3Sn(p-NO2C6H4CO2)]n, and [Me3Sn(p-NO2C6H4CO2). bz], DFT calculations, DNA binding, and DNA cleavage studies

A series of trimethyltin(IV) carboxylates with Sn‒O bonds: [Me3Sn(p-FC6H4CO2)] (1), [Me3Sn(p-HOC6H4CO2)] (2), [Me3Sn(p-NO2C6H4CO2)]n (3), and their benzimidazole complexes with Sn‒N bond: [Me3Sn(p-FC6H4CO2).bz] (4), [Me3Sn(p-HOC6H4CO2).bz] (5), and [Me3Sn(p-NO2C6H4CO2).bz] (6) (bz = benzimidazole) have been synthesized and characterized by elemental analysis, FT-IR, 1H, 13C, 119Sn NMR, and electrospray ionization mass spectrometric (ESI-MS) studies. The crystal structures for (3) and (6) have been authenticated by X-ray diffraction. In the crystal structure, polymeric coordination compound (3) and the monocrystal system (6) have trigonal bipyramidal geometry around the Sn centre, where most electronegative atoms occupied the axial positions, and three methyl groups occupied the equatorial positions. The gas-phase tetrahedral geometries of (1) and (2), asymmetric unit (Sc-XRD) of (3), and trigonal bipyramidal geometries of (4–6) have been optimized using the B3LYP function and LanL2Z basis, and obtained ∠C-Sn-C bond angles agree with those obtained from NMR/X-ray studies. The interaction of (1–6) with calf thymus DNA (ctDNA) has been investigated by spectroscopic titrations such as UV–visible, fluorescence, and circular dichroism (CD) titrations, and calculated binding constant values found in the 104–105 M−1 range which suggest a groove binding or electrostatic interaction between complexes and ctDNA. The gel electrophoresis studies suggest that (1–6) effectively cleaved the plasmid pBR322 DNA into three bands: the supercoiled, nicked/circular, and linear structures. The intriguing biophysical findings from the study indicate that these complexes have properties that make them strong contenders for additional research as potential anti-cancer agents.

Dependency of the drag coefficient on boundary layer stability beneath drifting sea ice in the central Arctic Ocean

The ice-ocean drag coefficient Cw\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$C_{w}$$\\end{document} and turning angle θw\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\ heta_{w}$$\\end{document} are crucial parameters in ice-ocean coupled simulations, determining the transfer of momentum between the two media. These parameters are often treated as constants regardless of the static stability at the ice-ocean interface. This study investigates the variability of Cw\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$C_{w}$$\\end{document} and θw\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\ heta_{w}$$\\end{document} based on direct observations of thermal and kinetic energy balance. The observations were conducted beneath multiyear ice packs widely across the central Arctic during a period transitioning from ablation to refreezing, indicating significant variability of Cw\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$C_{w}$$\\end{document} = 1–130 ×\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\ imes$$\\end{document} 10−3 and θw\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\ heta_{w}$$\\end{document} = − 19–1° at 5 m depth. Comparing different stations, the observations suggest a pronounced dependence of Cw\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$C_{w}$$\\end{document} on the stability parameter (μ\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\mu$$\\end{document}) resulting from mechanical and buoyant forcing. Cw\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$C_{w}$$\\end{document} rapidly decays with increasing μ\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$\\mu$$\\end{document}, indicating that the ice-to-ocean momentum transfer is enhanced for neutral or unstable conditions, while it is weakened for stable conditions. In addition, observed vertical profiles of currents revealed that |θw|\\documentclass[12pt]{minimal} \\usepackage{amsmath} \\usepackage{wasysym} \\usepackage{amsfonts} \\usepackage{amssymb} \\usepackage{amsbsy} \\usepackage{mathrsfs} \\usepackage{upgreek} \\setlength{\\oddsidemargin}{-69pt} \\begin{document}$$|\ heta_{w}|$$\\end{document} tends to be smaller for unstable and larger for stable conditions. We suggest that numerical simulations using constant values could result in an underestimate of large-scale near-surface currents during the ice growing period.

Electrical, Optical and Thermal Properties of Ge-Si-Sn-O Thin Films.

This work evaluates the electrical, optical and thermal properties of Sn-doped GexSi1-xOy thin films for use as microbolometer sensing materials. The films were prepared using a combination of a radio frequency (RF) magnetron and direct current (DC) sputtering using a Kurt J Leskar Proline PVD-75 series sputtering machine. Thin films were deposited in an O2+Ar environment at a chamber pressure of 4 mTorr. The thicknesses of the thin films were varied between 300 nm-1.2 µm by varying the deposition time. The morphology and microstructure of thin films were investigated by atomic force microscope (AFM) imaging and X-ray diffraction (XRD), while the atomic composition was determined using the energy dispersive spectroscopy (EDS) function of a scanning electron microscope. The thin film with an atomic composition of Ge0.45Si0.05Sn0.15O0.35 was found to be amorphous. We used the Arrhenius relationship to determine the activation energy as well as temperature coefficient of resistance of the thin films, which were found to be 0.2529 eV and -3.26%/K, respectively. The noise voltage power spectral density (PSD) of the film was analyzed using a Primarius-9812DX noise analyzer using frequencies ranging from 2 Hz to 10 kHz. The noise voltage PSD of the film was found to be 1.76 × 10-11 V2/Hz and 2.78 × 10-14 V2/Hz at 2 Hz and 1KHz frequencies, respectively. The optical constants were determined using the ellipsometry reflection data of samples using an RC2 and infrared (IR) VASE Mark-II ellipsometer from J A Woollam. Absorption, transmission and reflection data for a wavelength range of 900 nm-5000 nm were also determined. We also determined the optical constant values such as the real and imaginary parts of refractive index (n and k, respectively) and real and imaginary part of permittivity (ε1 and ε2, respectively) for wavelength ranges between 193 nm to 35 µm. An optical band gap of 1.03 eV was determined from absorption data and using Tauc's equation. In addition, the thermal conductivity of the film was analyzed using a Linseis thin film analyzer employing the 3ω method. The thermal conductivity of a 780 nm thick film was found to be 0.38 Wm-1K-1 at 300 K. From the data, the Ge-Si-Sn-O alloy was found to be a promising material for use as a sensing material for microbolometers.

Mechanism, thermochemistry, and kinetics of formation of PhC(O)H and HOPhC(O)H during unimolecular decomposition of P-PhC(O2•)HPhOH.

Bisphenols are one of the main components of bio-oil, produced during the pyrolysis of lignin-containing biomass. Synthetic bisphenols are used in polycarbonate plastics, epoxy resins, and thermal papers. Their mechanism of oxidation is important for the determination of the fire safety of these materials and the possibility of using them as additives in fuels for the decrease and description of ignition delays, as well as for the determination of their health risk assessment in medicine. One representative of bisphenols is p-benzylphenol (p-PhCH2PhOH), which is formed during the fast pyrolysis of lignine-containing biomass. Its thermochemistry of oxidation has been partially studied previously. It is shown that the reaction of chain oxidation of p-PhCH2PhOH is thermochemically favorable at low temperatures. However, these studies consider only two pathways of this reaction: (1) the chain oxidation of RH by RO2• and (2) the tautomerization of R'HO2• to R'O2H with following production of R'O• and OH radicals. At the same time, the reactions of intramolecular rearrangement of RO2•, produced PhC(O)H and •PhOH or HOPhC(O)H and •Ph, are not reported but can be an important part of its oxidation mechanism. The five DFT (M06-2X (i = 1), B3LYP (i = 2), wB97XD (i = 3), M08HX (i = 4), MN15 (i = 5)) approaches with 6-311 + + G(d,p) basis set are used for the determination of standard enthalpies of atomization (ΔraH°(Xi)) of considered compounds (molecules, radicals, and transition states). These values of ΔraH°(Xi) are corrected using the empirical linear calibration dependencies, reported previously. The different calibration dependencies are used for the hydrocarbons (including the aromatics and simple oxygenated derivatives) and for the peroxides. The corrected values of ΔraH°(Xi, CORR) are used according to Hess's law for the determination of ΔfH°(Xi, CORR). The most consistent values of ΔfH°(X, MEAN) are derived from the coordination of the values of ΔfH°(Xi,CORR) using the intersection of their values of standard deviations (3SDi). These values of ΔfH°(X, MEAN), as well as the B3LYP values of S°(X), which are accounting the frequencies correction and internal rotations, as well as their temperature dependencies, are used for the determination of thermochemistry of considered reactions and of the calculation, within transition state theory (TST), of the values of high pressure limits of the rate constant. The values of H°(Xi), S°(Xi), and G°(Xi) are calculated using the Gaussian 16w program. The considered mechanism is prepared using ISIS/Draw package. The temperature dependencies of thermochemical properties and the values of rate constants are determined using the ChemRate program (v.1.5). The optimized structures are visualized using the Chemcraft package.