Conductivity Measurements Research Articles

Structural, Spectroscopic, and Docking Analysis of N,O-Donor Ligand Metal Complex Nanoparticles with Hypolipidemic Effects via Lipoprotein Lipase Activation in High-Fat Diet Mice.

New Cd(II), Zn(II) and Cu(II)-chelates with cetirizine.2HCl (CETZ.2HCl) in incidence of 1,10 phenanthroline monohydrate (Phen.H2O) were synthesized in search of new biologically active compounds. The ligands and their chelates were described by 1H NMR, FT-IR, elemental analysis, UV-vis. spectrophotometry, thermal-analyses, molar conductance, X-ray-diffraction (XRD) and magnetic-susceptibility measurements. FT-IR demonstrated that CETZ.2HCl is bonded with metal ions, as a monodentate via carboxylate oxygen atom and Phen.H2O chelated via two nitrogen atoms. The molar conductivity data showed that the complexes were non-electrolytes, while XRD data supported that the compounds were crystalline. Density functional theory-(DFT) was utilized to gain insight into the compounds' optimized design. The effects of CETZ.2HCl and the complexes on the activity of Lipoprotein-(L)-lipase activity in mice were investigated. Unlike Cd(II) complex, all the other compounds exhibited significant increase in lipase activity, with reduction in triglycerides. Cu(II) and Zn(II) complexes showed robust hypolipidemic efficacy evidenced by lower levels of total cholesterol and LDL, concomitant with higher levels of HDL. Furthermore, Zn(II) complex was a safe alternative since it has a lower liver toxicity. Molecular docking demonstrated that Cu(II) and Zn(II) chelates exhibited greater affinities to lipase than the parent ligand. Finally, Cu(II) complex showed the highest antibacterial activity.

Fumed Silica in Coconut Oil Based Nanofluids for Cooling and Lubrication in Drilling Applications

Virgin coconut oil (VCO) is an edible vegetable oil that is eco-friendly, biodegradable, and sustainable, with high thermal and chemical stability as a phase change material (PCM). In this work, VCO filled with fumed silica A200 nanoparticles was tested as a cutting fluid in drilling processes. Silica concentrations ranging from 1 to 4 vol% were analyzed. Thermal properties were evaluated by differential scanning calorimetry (DSC) and thermal conductivity measurements at different temperatures and concentrations. Thermal conductivity showed an enhancement with the addition of silica powder and reduced with increasing temperature. Based on thermal and flow properties, VCO-3A200 was found to be the optimal concentration. The thermal images of this nanofluid taken after 60 s of drilling exhibited a reduction of 12 °C with respect to the dry process. The friction coefficient versus shear rate was also measured. With 8% VCO, a reduction in the friction coefficient of 8% compared to the dry test was achieved. The addition of 3 vol% of silica to the base oil reduced the friction coefficient by 16% compared to the dry test. The use of fumed silica dispersed in VCO has proven to be a sustainable, recyclable, and environmentally friendly refrigerant and lubricant cutting fluid.

The Temperature Dependence of Divergence Pressure

The so-called controversy in elastohydrodynamic lubrication (EHL) regarding the nature of the shear dependence of viscosity, Eyring versus Carreau, is truly a controversy regarding the pressure and temperature dependence of low-shear viscosity. Roelands removed data that contradicted his claims of accuracy for his correlation. The Roelands hoax became acceptable in EHL because ignoring the universal previtreous piezoviscous response made the traction calculated with the Eyring assumption appear to be reasonable. Traction and minimum film thickness calculations sometimes require the description of viscosity at pressures up to the glass transition pressure. There have been few measurements of viscosity at pressures up to glass pressure. Therefore, a need exists for a piezoviscous model that extrapolates accurately, and the Hybrid model fills that need. Here, an improved relation for the temperature dependence of divergence pressure is offered and extrapolation is demonstrated for a polyalphaolefin and propylene carbonate. A linear dependence of divergence pressure with temperature is more useful than previous versions. An improvement in the capability of high-pressure viscometry is suggested based upon the fractional Stokes Einstein Debye relation and the relatively simple measurements of DC conductivity.

New insights into uranium stress responses of Arabidopsis roots through membrane- and cell wall-associated proteome analysis.

Uranium (U) is a non-essential and toxic metal for plants. In Arabidopsis thaliana plants challenged with uranyl nitrate, we showed that U was mostly (64-71% of the total) associated with the root insoluble fraction containing membrane and cell wall proteins. Therefore, to uncover new molecular mechanisms related to U stress, we used label-free quantitative proteomics to analyze the responses of the root membrane- and cell wall-enriched proteome. Of the 2,802 proteins identified, 458 showed differential accumulation (≥1.5-fold change) in response to U. Biological processes affected by U include response to stress, amino acid metabolism, and previously unexplored functions associated with membranes and the cell wall. Indeed, our analysis supports a dynamic and complex reorganization of the cell wall under U stress, including lignin and suberin synthesis, pectin modification, polysaccharide hydrolysis, and Casparian strips formation. Also, the abundance of proteins involved in vesicular trafficking and water flux was significantly altered by U stress. Measurements of root hydraulic conductivity and leaf transpiration indicated that U significantly decreased the plant's water flux. This disruption in water balance is likely due to a decrease in PIP aquaporin levels, which may serve as a protective mechanism to reduce U toxicity. Finally, the abundance of transporters and metal-binding proteins was altered, suggesting that they may be involved in regulating the fate and toxicity of U in Arabidopsis. Overall, this study highlights how U stress impacts the insoluble root proteome, shedding light on the mechanisms used by plants to mitigate U toxicity.

Enhancing Thermal Conductivity of Water-Ethylene Glycol Mixtures: A Study on TiO2-Al2O3 Hybrid Nanofluids with Surfactants

This analysis examines the thermal behaviour of 40% ethylene glycol-based TiO2-Al2O3 hybrid nanofluids by synthesizing them and assessing their thermal conductivity as a function of volume concentration and temperature. These hybrid nanofluids, emerging as a promising new class of advanced operating fluids, offer remarkable potential for enhancing heat transfer performance in various thermal engineering applications. Using a two-stage synthesis method, TiO2-Al2O3/40% ethylene glycol nanofluids were prepared across five distinct volume focuses (varying from 0.02% to 0.1%), incorporating Polyvinylpyrrolidone (PVP) as a stabilizing emulsifier. Precise thermal conductivity measurements were conducted over 30 °C to 80 °C, with incremental steps of 10 °C, ensuring comprehensive data collection. The investigation yielded significant findings, notably a substantial maximum thermal conductivity enhancement of 37.44%, observed at 80 °C with a 0.1% volume concentration, demonstrating pronounced sensitivity to elevated temperatures and concentrations. The strategic addition of PVP surfactant resulted in a remarkable 125% improvement in the nanofluid's stability period, although a maximum 5.33% reduction in thermal conductivity. Considering the inadequacy of existing predictive models to capture the observed data accurately, this study proposed developing a high-precision predictive model, achieving an impressive maximum deviation of less than 3%. The research concludes that these hybrid nanofluids, characterized by their exceptional stability and significantly enhanced thermal conductivity, hold immense potential to revolutionize heat transfer applications across various domains of practical thermal engineering. This breakthrough paves the way for developing more efficient, high-performance heat transfer systems, potentially catalysing energy efficiency and thermal management advancements across diverse industrial sectors.

Electronic properties of polyaniline–graphene nanocomposites synthesized via solution mixing method

A key advantage of combining the exceptional properties of graphene with conducting polymers, lies in their remarkable property tunability through filler additions into polymer matrices, with synthesis routes playing a crucial role in shaping their characteristics. In this work, we examine the electronic properties of polyaniline and graphene nanocomposites synthesized via a simple solution mixing method, which offers advantages such as ease of use and efficiency. Increasing graphene content enhances nanocomposite conductivity, and a percolation effect is observed. The percolation threshold is high and is consistent with a strong role played by voids in the structure. Temperature-dependent conductivity measurements highlight three distinct conduction regimes: insulating, critical, and metallic. These findings underscore the significant influence of synthesis method and structural disorder on shaping electronic properties, paving the way for engineering multifunctional nanocomposites with exceptional versatility and performance.

Enantiomorphic single component conducting nickel(II) and platinum(II) bis(diethyl-dddt) crystalline complexes.

Monoanionic and neutral nickel(II) and platinum(II) bis(dithiolene) complexes based on the 5,6-diethyl-5,6-dihydro-1,4-dithiin-2,3-dithiolate (de-dddt) chiral ligand have been prepared in racemic and enantiopure forms. Neutral closed-shell species have been generated from monoanionic precursors upon electrocrystallization. The racemic anionic (TBA)[Ni(S,S-de-dddt)(R,R-de-dddt)] complex crystallized in the centrosymmetric space group P21/c, while the neutral complexes crystallized in the enantiomorphic tetragonal space group P41212 or P43212. Very subtle conformational differences concerning the orientation of the ethyl substituents are observed between the racemic and the enantiopure compounds, thus impacting the intermolecular interactions at the nanoscale level. Indeed, in the former, the ethyl substituents are all-axial in both independent complexes, while in the latter, one of the independent complexes shows a mixed (eq, eq, ax, ax) conformation and the other independent complex of the asymmetric unit shows the all-axial conformation. Such a tenuous difference at the molecular/nanoscale level strongly impacts the conductivity of the materials. Temperature dependent high pressure single crystal conductivity measurements show activated conductivity for all the materials, with room temperature conductivity values of up to 1.3 × 10-3 S cm-1 for [Ni(S,S-de-dddt)2] at 12.3 GPa and 3.0 × 10-4 S cm-1 for [Pt(R,R-de-dddt)2] at 12.9 GPa. Nevertheless, the racemic compounds are more conductive, i.e. 3.8 × 10-2 S cm-1 for [Ni(rac-de-dddt)2] at 10.0 GPa and 1.5 × 10-3 S cm-1 for [Pt(rac-de-dddt)2] at 10.5 GPa, in agreement with the shorter and more numerous S⋯S intermolecular contacts observed in the crystal structures of the racemic complexes. Moreover, a detailed analysis of DFT calculations suggests that smaller band gaps and higher conductivities should occur for the racemic solids and for the Pt versus Ni complexes.

Are conductivity sensors useless for irrigators? Exploring measurement consistency around soil moisture thresholds relevant to different applications

AbstractThe cheap conductivity‐based sensors favoured by farmers for soil moisture monitoring remain largely ignored by researchers because of their low accuracy, which results in high uncertainty regarding their utility for irrigators. In this work, conductivity measurements were compared with dielectric permittivity measurements in moisture ranges relevant to different applications. The results showed that the permittivity measurements captured moisture variability well (R2 > 0.8) throughout the full range tested (0%–35%), which is consistent with the literature. Conductivity measurements consistently distinguished dry from wet conditions (p < 0.0001) and reflected moisture variability in lower ranges (R2 > 0.5) but not in higher ranges (>20%). This is problematic because important monitoring thresholds such as field capacity and saturation are in the upper moisture ranges. Conductivity measurements were found to lack any meaningful utility in most applications except those relevant to distinguishing dry from wet conditions and indicating lower‐range moisture patterns, such as monitoring in arid environments. This gives some merit to conductivity sensors considering their very low cost if corrosion is minimised. The described evaluation approach is suggested as an example for developers, labs and extension services to better communicate potential sensor utilities and restrictions to practitioners to improve their accessibility to decision support technologies.

Stability and tribological performance of dispersed graphene (Gr) and aluminium nitride (AlN) nanoparticles in mineral oil

Nanolubricants can give a solution to a variety of concerns with traditional lubricants. A good nanolubricant is expected to be stable without sedimentation for an extended period in order to provide good heat transfer and not degrade performance owing to nanolubricant instability. In this study, the stability of mono nanolubricants consists of graphene (Gr) and aluminium nitrite (AlN) in SUNISO 3GS compressor oil and PETRONAS SYNTIUM 500 15W-40 engine oil, in 0.05, 0.075 and 0.1 vol% concentration, without and with surfactant is investigated. The surfactants used in this study are CTAB and SPAN 80 for Gr and AlN, respectively. This study also investigates the difference of base fluid and how it affects the performance of the nanolubricants. Not only that, previous studies investigated the same type of nanoparticles however in this study, Gr and AlN are two different class of nanoparticles which are carbon and ceramic based nanoparticles, respectively. The stability of nanolubricants is investigated using visual observation method, thermal conductivity (TC) measurement and UV–vis spectrophotometer. Furthermore, rheological properties (viscosity, viscosity index and flash point) and tribological properties of nanolubricants are studied. The highest percentage difference for TC is 22.58 in comparison with pure compressor oil. Lastly, by using pin-on disc tribotester, it can be observed surfactant in nanolubricants reducing the specific wear rate (SWR) and the highest percentage difference is high as 76.37 % for nanolubricant. The final observation shows that GR (0.05)-CO(CT) and GR (0.05)-EO(CT) have the best performance among all nanolubricants.

Synthesis, structural elucidation, ion flotation and biological evaluation of Ni(II) and Zn(II) Complexes featuring a heterocyclic thiosemicarbazide ligand with their computational studies

Herein, Ni(II) and Zn(II) complexes were synthesized using the heterocyclic thiosemicarbazide ligand (Z)-N-(2-oxoindolin-3-ylidene)nicotinohydrazide (H2L). The structures and geometries of these complexes were identified using elemental analysis, FT-IR, UV-Visible, Mass spectroscopy and thermogravimetric analysis (TGA). These techniques confirmed the composition of the target chelates as [Ni₂(HL)₂Cl₂(H₂O)₄].3H₂O with an octahedral geometry and [Zn(HL)(OAc)(H₂O)] with a tetrahedral geometry. Conductivity measurements indicated the non-ionic nature of the complexes. Moreover, the chelation patterns, structural configurations, and molecular interactions within the complexes were further corroborated through quantum mechanical computations, specifically density functional theory (DFT).An ion flotation method was employed to investigate the removal of nickel and zinc ions from aqueous solutions. This approach involved the formation of a complex between Ni(II) or Zn(II) ions and H₂L, followed by flotation using oleic acid (HOL) as the surfactant. Various parameters, including pH, surfactant and metal ion concentrations, the presence of foreign ions, and temperature, were systematically tested to determine the optimal flotation conditions. Furthermore, the compounds were evaluated for their effects on human carcinoma cells and their antibacterial properties. Additionally, molecular docking studies of the ligand, H₂L and its complexes were performed using the XP Glide module within the Schrödinger suite, targeting HepG2 (PDB ID: 2OH4) and MCF-7 (PDB ID: 3W2S) cell lines.

In vitro studies of the combination between berberine chloride and a Copper(II) complex against Triple negative breast cancer

In this study, the copper(II) complex [Cu(chromoneTSC)Cl2]•0·.5H2O•0.0625C2H5OH (where chromoneTSC = (E)-N-Ethyl-2-((4-oxo-4H-chromen-3-yl)methylene)-hydrazinecarbothioamide) was synthesized and characterized; then used to carry out in vitro studies in combination with berberine chloride (BBC). The ligand and complex were characterized by elemental analysis, FTIR and NMR (1H and 13C) spectroscopy, and conductivity measurements. The cytotoxic effect was analyzed by using the CCK-8 viability assay in cancer MDA-MB-231 VIM RFP and non-cancer MCF-10A cell lines. The IC50 values for the complex and BBC were 21.2 ± 1.6 and 48.3 ± 2.4 μM, respectively at 24 h incubation, while the IC50 value of the combination treatment was 9.3 ± 1.5 in cancer cells. The co-treatment group significantly increased the number of cells in G2 phase, indicating the growth arrest of cancer cells. Moreover, the combination group showed induction of both intrinsic and extrinsic apoptotic pathways. There was also a study on the effect of the combination treatment on receptor-interacting serine/threonine-protein kinase 3 (RIPK3) and mixed lineage kinase domain-like pseudokinase (MLKL) as biomarkers of necroptosis. The results showed activation of necroptosis after treatment with the combination of the copper complex and BBC via the activation of RIPK3–MLKL pathway.

Thermal conductivity of biochar-clay composites for the internal insulation of buildings

The application of biochar-clay composites as internal insulation of buildings is very promising since the employed materials are ecological and commonly available, corresponding to a forward-looking construction method. To bring this solution to its full potential however, additional data on the thermal performance of such composites are required. In this study new biochar-clay composites are investigated by varying composite’s parameters such as biochar and clay type, biochar weight fraction and addition of natural fibres. Measurements of the thermal conductivity are performed by the heat flow meter method at different temperatures and moisture contents. Based on the measured outcomes, an empirical model is developed and calibrated to predict the impact of the composite`s density, temperature and moisture content on the composite thermal conductivity. At an average temperature of 20°C and dry conditions, for composite densities ranging between 222 and 610 Kg/m3, thermal conductivities between 0.06 and 0.18W/(m K) are obtained. Combined increases of temperature and moisture content of 10K and 20 Kg/m3 lead to an increase of the thermal conductivity of the composite between 10% and 26%, depending on the composite type.

426 Development of a novel assistive tool for early diagnosis of malignant melanoma using thermal conductivity measurements

426 Development of a novel assistive tool for early diagnosis of malignant melanoma using thermal conductivity measurements

Structural, Dielectric, and Impedance Spectroscopic studies of (Zn0.4Mn0.4Ni0.2Ce0.2Fe1.8O4)1-x/(MWCNTs)x Nanocomposites for Future Energy Storage Applications

The novel Zn0.4Mn0.4Ni0.2Ce0.2Fe1.8O4 (ZMNCF) nanoparticles were first produced using the sol-gel auto-combustion method and then dispersed onto the surface of multi-walled carbon nanotubes (MWCNTs) with the aid of ultra-sonication and a series of different concentration of (ZMNCF)1-x/(MWCNTs)x; x = 0 – 20 wt. % nanocomposites were created. X-ray diffraction (XRD) analysis confirmed the Fd-3m space group and spinel structure of synthesized nanoparticles and revealed that the increasing concentration of MWCNTs has a great influence on the structural properties of the spinel ferrites. Transmission electron microscopy (TEM) was used to study the distribution, size and symmetry of nanoparticles and the accumulation of ZMNCF nanoparticles on the outer surfaces of MWCNTs. The estimation of different vibrational bands was examined using Fourier transform infrared (FTIR) spectroscopy. The dielectric and impedance measurements were studied in the frequency spectrum of 25 Hz to 2 MHz at room temperature. A detailed study of polarization mechanisms, Maxwell-Wagner model, and Koop’s theory and the effect of increasing concentration of MWCNTs on grain and grain boundaries have been discussed. The AC conductivity measurements conducted on the synthesized nanoparticles demonstrated an enhancement in conductivity upon the addition of MWCNTs. The percolation threshold for the nanocomposite was found to be between 10 and 15 wt. %, corresponding to a significant increase in conductivity due to the formation of a continuous conductive network. The valuable responses in dielectric properties showed that the synthesized nanocomposites could be used in future energy storage devices.

Enhanced Thermoelectric Performance of La1.98Sr0.02Cu0.94Co0.06O4 by Multiwalled Carbon Nanotubes Addition

ABSTRACTEffect of multiwalled carbon nanotubes (MWCNTs) addition on thermoelectric properties of polycrystalline LSCCO (La1.98Sr0.02Cu0.94Co0.06O4) has been examined. The samples have been synthesized via the solid‐state reaction technique. Micro‐structural and surface morphology of the synthesized pellets have been investigated using X‐ray diffraction and Field Emission Scanning Electron Microscopy, respectively. The electrical resistivity and Seebeck coefficient of investigated pellets have been measured using a custom‐built apparatus between 300 and 450 K. Nevertheless, the transient heat transfer technique has been adopted for thermal conductivity measurement. The addition of MWCNTs significantly enhances the electrical conductivity and reduces the thermal conductivity of LSCCO. This results in a remarkable improvement in the figure of merit in spite of the reduction in Seebeck coefficient with MWCNTs addition. The maximum ZT value ~0.07 is achieved at 323 K for 0.05 wt% MWCNTs‐loaded LSCCO, which is ~28 times that of pristine LSCCO. The enhanced thermoelectric performance is attributed to the increased carrier concentration, reduced grain size, and improved interface phonon scattering due to MWCNTs addition. Our results demonstrate the potential of MWCNTs as an effective additive to enhance the thermoelectric properties of LSCCO‐based materials.

Experimental and numerical investigation of fracture conductivity between non-smooth rock surfaces with and without proppant

The enhancement of fracture conductivity is vital for the efficient recovery of subsurface resources, such as geothermal energy and petroleum hydrocarbons. Proppants, granular materials injected into hydraulic fractures to maintain their conductivity, have been studied primarily in the context of smooth fractures (i.e., fractures between smooth rock surfaces). However, non-smooth fractures (i.e., fractures between rough rock surfaces) are common in geoenergy reservoirs and thus require further investigations. In this study, we conducted laboratory measurements of fracture conductivity on shale slabs with non-smooth surfaces and carried out numerical simulation using the lattice Boltzmann (LB) method, which aimed to investigate the conductivity of non-smooth fractures with and without proppants placement. When ceramic proppant with an areal concentration of 2 lb/ft2 was placed in the fracture, the conductivity was enhanced by roughly 3 to 8 times compared to fractures without proppant. In fractures with proppant, gas-measured conductivity was higher than that measured with water due to proppant embedment caused by water. The experiments demonstrate the advantages of using proppant in fractures, even if the rock surface roughness can provide certain fracture conductivity via the self-propping mechanism. For fractures without proppants, high rock surface roughness is not necessarily favorable for enhancing fracture conductivity because the self-propping mechanism requires shear slip along the fracture surface. If there is no shear slip, high rock surface roughness can cause a detrimental effect on the fracture conductivity due to the interlocking effect. Utilizing advanced experimental equipment and LB modeling, this research explores the interplays between proppant placement, fracture geometry, and stress conditions to develop a comprehensive understanding of the productivity in non-smooth fractures. The outcomes of this investigation indicate the importance of creating fractures with surface roughness during hydraulic fracturing and will contribute to the development of more efficient stimulation techniques for subsurface energy extraction.

Phase Transitions in a Vanthoffite-Type Compound, Na6Zn(SO4)4: Insights from In Situ PXRD and Raman Spectroscopy.

The study of phase transitions in minerals or synthetic compounds analogous to mineral structures is of fundamental interest in different scientific disciplines, with applications ranging from understanding the Earth's geological history to advancing materials science and technology. They provide valuable data and insight into developing new functional materials with desired properties. In this context, we have investigated the structural phase transitions of Na6Zn(SO4)4, a synthetic compound analogous to the Vanthoffite mineral Na6Mg(SO4)4, which occurs abundantly in nature as oceanic salt deposits. The room temperature crystal structure is refined from powder X-ray diffraction (PXRD) data, and it belongs to a monoclinic system, space group P21/c, with Z = 2. Differential scanning calorimetry analysis suggests the possibility of multiple structural phase transitions between 338 and 400 °C. These phase transitions are substantiated by in situ powder X-ray diffraction and Raman spectroscopy. PXRD data with temperature reveal structural phase transitions with a change in crystal symmetry accompanied by the appearance/disappearance of diffraction peaks. Further, the dynamics of the SO4 tetrahedra units are probed using variable temperature Raman spectroscopy to understand the mechanism of structural phase transitions. These phase transitions are driven by the anomalies of the molecular vibration of sulfate tetrahedra at higher temperatures as revealed from Raman data. Additionally, ionic conductivity measurements also depict these structural phase transitions with a change in slope with an increase in temperature.

Effect of irradiation on Co0.72Sr0.07Ni0.21Fe2O4 ferrite nanoparticles and their catalytic efficiency in water treatment

This study investigates the magnetic, thermal, and electrical properties of Co0.72Sr0.07Ni0.21Fe2O4 ferrite nanoparticles under different conditions, including as-prepared, irradiated (at a dose of 100 kGy in CO2 atmosphere), and aged (at 1000°C). The magnetic properties are analyzed using M-H loops, revealing that the aged sample exhibits the highest magnetization values. The observed decrease in magnetization after irradiation and increase after aging is consistent due to the presence of a new phase (γ-FeOOH) in the irradiated sample that XRD confirms. Electrical conductivity measurements demonstrate that the aging sample exhibits the highest electrical conductivity due to increased grain boundaries, while the irradiated sample shows increased conductivity attributed to oxygen vacancies. As well as the nanocomposite of PVP and Co0.72Sr0.07Ni0.21Fe2O4 nanoparticles aged (at 1000°C) is found to be effective in degrading the Toluidine Blue (TB) dye through catalytic oxidation and photodegradation mechanisms. The catalytic degradation of TB dye provides valuable insights into the potential application of these ferrite nanoparticles in environmental remediation and wastewater treatment. Also, nanocomposite demonstrated significant antimicrobial activity against five pathogenic bacterial strains commonly found in contaminated water, with superior effectiveness against Gram-negative bacteria, particularly Salmonella enterica and Pseudomonas aeruginosa, suggesting its potential as an effective water treatment agent. The novelty and the aims are to analyze the changes in magnetization and conductivity of the nanoparticles under different conditions, including as-prepared, irradiated, and aged samples. Additionally, the catalytic efficiency of the aged nanoparticles in degrading Toluidine Blue (TB) dye is examined, providing insights into their potential application in environmental remediation and wastewater treatment.

Spatial Pattern Assessment and Prediction of Water and Sedimentary Mud Quality Changes in Lake Maurepas

Lake Maurepas, Louisiana, holds ecological, recreational, and economic significance, but recent concerns have arisen over its water quality due to industrial activities. From June to November 2023, we investigated water and sediment quality at nine sites and three depths. Results showed that NH3-N levels were within safety limits (0.11 ± 0.10 mg/L), while Total Nitrogen (TN, 0.83 ± 0.65 mg/L), Total Phosphorus (TP, 0.32 ± 0.13 mg/L), Chemical Oxygen Demand (COD, 25.94 ± 11.37 mg/L), Arsenic (As, 0.26 ± 0.17 mg/L), and Lead (Pb, 0.23 ± 0.002 mg/L) exceeded acceptable thresholds. Spatial-temporal analysis revealed significant variations across sites, depths, and sampling dates. Major contaminant sources included discharges from the Tickfaw, Amite, and Blind rivers, as well as a vehicle accident on Pass Manchac. Seismic and drilling activities by Air Products and Chemicals had little to no observed impact. Four AI algorithms were also evaluated using different physical parameter inputs to predict December’s chemical pollutant levels, which were missing due to adverse weather. The LSTM model outperformed the others, achieving R2 values of 0.852 for COD, 0.869 for TN, 0.842 for As, and 0.921 for TP and Pb. Predictions indicated decreasing pollutant levels in December, which matched salinity and specific conductance measurements, and reverted to those observed in September and October. This pattern is attributed to the settling of contaminants from the Pass Manchac accident and ongoing pollutant sources from September and October.

Synthesis, characterization, biological activity, and modelling protein docking of divalent, trivalent, and tetravalent metal ion complexes of new azo dye ligand (N,N,O) derived from benzimidazole

The ligand 2-[2′-(benzimidazole)azo]-4,6-dimethyl benzoic acid (BADMB) was employed to create coordination complexes with Pd(II), Co(III), and Pt(IV) ions. A variety of analytical methods were utilized to verify the structures of the synthesized chelates, including microanalysis, 1H NMR, 13C NMR, UV–Vis spectroscopy, FT-IR, mass spectrometry, magnetic susceptibility, molar conductivity, X-ray diffraction (XRD), and thermal analysis. The stoichiometry of the metal complexes was 1:1 [M:L] in the case of both Pd(II) and Pt(IV) complexes while that of the Co(III) complex was 1:2 [M:L]. The results of molar conductivity measurements confirmed that all of the complexes are electrolytes and that they fall within the range 15.74–40.11 Ω−1 cm2 mol−1. The findings indicated that the Co(III) and Pt(IV) complexes adopt an octahedral geometry, with the formulas [Co(BADMB)2]Cl·H2O and [Pt(BADMB)Cl3]·H2O, respectively. In contrast, the Pd(II) complex, represented by the general formula [Pd(BADMB)Cl]·H2O, has a square planar geometry. BADMB acts as a trident (N,N,O) ligand through two nitrogen atoms from the benzimidazole ring and an azo group and one oxygen atom of the carboxyl group. The antimicrobial activity of these compounds was evaluated against a variety of microorganisms, including Streptococcus, Staphylococcus aureus, Penicillium spp., and Aspergillus, as well as multidrug resistance. In addition, all compounds were active against Penicillium spp. fungi compared to the other microorganisms examined. Moreover, the cytotoxic effects of the BADMB, Pd(II), and Pt(IV) complexes were evaluated in a human hepatocellular carcinoma cell line (HepG2) and a normal cell line (WRL68). A molecular docking study was performed using MOE 2015 software and the PDBsum online server. The compounds showed a binding free energy greater than 5 kcal/mol and an RMSD value was present in the range of 1.41 to 2.01 Å, indicating their potential as ligands for further molecular studies with selected targets.