TGA Analysis Research Articles

Experimental investigation of mechanical and physical properties of glass fiber reinforced concretes produced with different magnetized waters

Magnetized water may act as a thickener in cementitious mixtures due to its slippery effect. Therefore, it can be beneficial for the mixture to settle easily and to improve its strength. This study investigated the effects of magnetized water passing through pipes with magnetic field intensity (MFI) 8 and 10 on glass fiber reinforced concrete (GFRC). Three different mixtures, the GFRC mixture produced with regular tap water, were obtained, and the properties of the produced GFRC samples, such as 7, 14, and 28 days H-Leeb hardness, density, Ultrasonic pulse velocity (UPV), flexural strength, compressive strength, and fracture mechanics were investigated. In addition, SEM, EDS, FTIR, and TGA analyses were carried out to investigate the change in surface tension in the internal structures of GFRCs produced with magnetized water. Overall, the results were promising. Results showed a proportional H-Leep hardness increase with curing time and density variations. Magnetized water reduced air voids, enhancing sound transmission speeds. Flexural and compressive strength improved with magnetic water. The study suggests significant contributions to energy savings and reduced production costs, highlighting the efficient use of energy resources.

Extraction of Nanocellulose from the Residue of Sugarcane Bagasse Fiber for Anti-Staphylococcus aureus (S. aureus) Application.

Nanocellulose contains a large number of hydroxyl groups that can be used to modify its surface due to its structure. Owing to its appealing features, such as high strength, great stiffness, and high surface area, nanocellulose is currently gaining popularity in research and industry. The extraction of nanocellulose from the leftover bagasse fiber from sugarcane production by alkaline and acid treatment was successful in this study, with a production yield of 55.6%. The FTIR and XPS results demonstrated a difference in the functional and chemical composition of untreated sugarcane bagasse and extracted nanocellulose. SEM imaging was used to examined the size of the nanocellulose with ImageJ software v1.8.0. TGA, DTG, and XRD analyses were also performed to demonstrate the successful extraction of nanocellulose in terms of its morphology, thermal stability, and crystal structure before and after extraction. The anti-S. aureus activity of the extracted nanocellulose was discovered by using an OD600 test and a colony counting method, and an inhibitory rate of 53.12% was achieved. According to the results, nanocellulose produced from residual sugarcane bagasse could be employed as an antibacterial agent.

3D printing of PBAT-based composites filled with agro-wastes via selective laser sintering

Nowadays, biodegradable polymeric materials can play a key role in many fields, including food packaging and biomedical. In the present work, composite powders based on PBAT matrix were prepared by mixing spherical particles obtained by emulsion solvent process with two different biofillers coming from food agro-wastes: a corn by-product and a filler derived from wine production. Sustainable PBAT-based composites were then successfully realized for the first time by means of selective laser sintering (SLS). This paper combines the use of natural fillers within a biodegradable matrix and 3D printing process. Fillers and composite powders were completely characterized as well as the PBAT-based composites obtained by SLS. The effect of biofillers within the PBAT matrix was investigated, by means of TGA, DSC, SEM, and DMA analyses. The bio-based composites obtained by SLS showed increased complex structures. Regarding the processability the printed samples are characterized by a good level of dimensional accuracy and porosity. Thus, biomedical field could benefit from the use of these kinds of fully biodegradable PBAT-based composites.

Application of Ce modified zeolite to improve the performance of cresol isomerization

This study clarifies the mechanism behind the isomerization of cresol, focusing on a shaped cerium-modified Beta zeolite. The catalysts were characterized using a series of characterization techniques, including XRD, Py-IR, XPS, and TGA. The results emphasize the pivotal role of cerium, particularly at a 5 % modification concentration, in improving catalyst acidity. The mechanism of isomerization is revealed through kinetic calculation of reversible monomolecular systems, emphasizing the significance of acid sites. TGA analysis of catalyst deactivation reveals distinctive carbon deposition patterns, with the cerium-modified zeolite displaying enhanced resistance to pore blockage through Type II carbon deposition. XPS analysis post-deactivation indicates an increased proportion of Ce3+, suggesting elevated oxygen vacancies and unsaturated chemical bonds, influencing the catalytic activity negatively. In summary, an appropriate cerium modification, especially at the 5 % concentration, strikes a balance between enhanced acidity and resistance to carbon deposition, providing valuable insights for tailoring zeolite catalysts in cresol isomerization.

An insight into the characteristics of some oxidized low-grade coals of Indian origin

ABSTRACT The conversion of coal to a hydrophilic state presents a significant challenge for process engineers, especially when treating oxidized coals in flotation-based beneficiation plants. Flotation of oxidized coal often requires a substantial consumption of oily collectors, resulting in unacceptably low yields. To address this, several pre-processing methods have emerged for coal deoxidation, including mild grinding, surface activation, and ultrasonic or microwave treatment. However, their effective application depends on a thorough understanding of the degree of oxidation in the coals. Therefore, it is crucial to gain insights into the nature of oxidized coal before initiating the deoxidation process. This present study provides various characterization techniques such as XRD, SEM-EDS, FTIR Spectroscopy, Raman Spectroscopy, TGA, and Zeta Potential Analysis employed on oxidized low-grade coals. The study revealed that the proximate analysis of low-grade coals KC, DC, RC, and PC contains varying ash percentages of 32.65%, 44.47%, 25.44%, and 37.53%, respectively, with SiO2 and Al2O3 comprising over 80% of the total ash. XRD characterizations identified quartz and kaolinite as major mineral phases in all samples, while SEM-EDS confirmed rough coal surfaces with peeling, off-white aggregations, and surface pores. HGI value ranging from 80 to 91 was attributed to partial decomposition and surface cracking due to oxidation. FTIR spectra revealed pronounced oxidation behavior, with strong −OH peaks in the 3600–3700 cm−1 range. Zeta potential analysis affirmed the oxidized nature of the coals with a pH below 3.1 and an extremely negative zeta potential beyond 3.1. The findings mentioned above showcase the distinct characteristics of oxidized low-grade coals, which serve as crucial indicators for exploring coal beneficiation, especially through the flotation process.

Porous g-C3N4-based nanoarchitectures by playing with sustainable precursors: Role of urea/melamine ratio on the structure/properties relationship

In this study, porous g-C3N4 based nanoarchitectures were obtained by a facile and effective in-situ synthesis method, that entailed the thermal treatment of different melamine (M) and urea (U) precursor mass ratios (in particular M/U = 50:50, 20:80), which were then compared with g-C3N4 obtained from pure M and U. The role of the melamine/urea mass ratio on morphology, structure, surface area, porosity, optical and vibrational properties of the g-C3N4 -based materials, was analysed in detail by means of many characterization techniques, including FESEM, AFM , XRD, HRTEM, Raman, FTIR, UV and PL spectroscopies, BET and TGA analyses. It will be shown that samples obtained from different M and U precursor mass ratios combine the advantage of high thermal stability and significant reaction yields, which are due to melamine action, and greatly improved surface area and short migration paths, which are due to urea effect, thus providing the suitable conditions for charge transfer within the interfaces. The results may shed light on effective improvements in the structure/properties of g-C3N4 based nanoarchitectures, aiming at peculiar functional materials.

Evaluating the thermal, mechanical and swelling behavior of novel silicone and polyurethane additively manufactured O-rings in the presence of organic liquids and military fuels

This work investigates the physical properties and swelling behavior of additively manufactured (AM) and traditionally manufactured (TM) polyurethane (PU) and silicone O-rings when exposed to organic liquids and military fuels. Polymer properties were explored using differential scanning calorimetry, thermal gravimetric analysis, and tensile testing, and two AM print orientations (vertical and horizontal) were investigated. The AM polyurethane vertical and horizontal O-rings formed from a selective laser sintering (SLS) process had similar thermal features to each other and differed slightly from the un-sintered polymer in the temperature at which the greatest rate of mass loss occurred in the TGA analysis. The thermal features of the AM silicone O-rings formed using stereolithography (SLA) were more similar to those of a commercial soft silicone than to those of a commercial high purity silicone. The horizontal print orientation for each polymer had a higher tensile strength than its respective vertically oriented print. A 1-week exposure of the AM O-rings to the various organic liquids reduced the tensile strength of AM O-rings by as much as 80% (tensile strength exposed/tensile strength unexposed = 0.2). Polyurethane AM O-rings swelled from 3 to 74% with the greatest swelling occurring from exposure to acetone. Silicone AM O-rings swelled from 13 to 258% with the greatest swelling occurring from exposure to iso-octane. In general, the commercial O-rings swelled less than their AM counterparts, had higher tensile strengths, and had smoother surfaces. The maximum swelling for the PU O-rings occurred at an overall Hansen solubility parameter (HSP) between 18 and 20 MPa1/2, while the maximum for silicone occurred at an HSP of 14.3 MPa1/2. These values are consistent with literature values, which can vary widely.

Hexakis[p-(hydroxymethyl)phenoxy]cyclotriphosphazene as an Environmentally Friendly Modifier for Polyurethane Powder Coatings with Increased Thermal Stability and Corrosion Resistance.

Protection against fire and the corrosion of metals is necessary to ensure human safety. Most of the fire and corrosion inhibitors do not meet the ecological requirements. Therefore, effective and ecological methods of protecting metals are currently a challenge for researchers. In this work, the influence of hexakis(4-(hydroxymethyl)phenoxy)cyclotriphosphazene (HHPCP) on the characteristics of powder coatings was examined. The coatings' properties were investigated by measuring the roughness, hardness, adhesion to the steel surface, cupping, gloss, scratch resistance, and water contact angle. The thermal stability was studied by furnace test and TGA analysis. The corrosion resistance test was carried out in a 3.5% NaCl solution. The distribution of phosphazene-derived segments in the coating was examined by GD-EOS analysis. Modified coatings show better corrosion and thermal resistance and can be used for the protection of the steel surface. Their better corrosion resistance is due to the electroactive properties of the phosphazene ring and its higher concentration at the coating surface, confirmed by GD-EOS analysis. The increase in thermal resistance is due to the effect of the formation of phosphoric metaphosphoric and polyphosphoric acids during the decomposition of HHCPC, which remain in the condensed char phase and play a crucial role in surface protection.

Fabrication of an economical and environmentally friendly electrode utilizing fullerene modified with L-proline and coated with copper nanoparticles for enantioselective electro-organic henry reaction in the presence of NaCl electrolyte

This study focuses on the fabrication of an economical and environmentally friendly electrode for chiral electro-organic synthesis of (S)-2-Nitro-1-Phenylethanol derivatives 4(a-m) in good to excellent yields (90–96 %). The electrode is constructed using Fullerene modified with l-Proline and coated with copper nanoparticles (ox-Fullerene-Pro@Cu). The designed electrode aims to facilitate the synthesis of (S)-2-Nitro-1-Phenylethanol 4(a-m) derivatives efficiently. The utilization of sodium chloride as an electrolyte further enhances the electrochemical reaction. Following the electrode synthesis, comprehensive characterization and identification were conducted utilizing SEM, EDS, TEM, XPS, XRD, TGA, BET, CV and FT-IR analyses. The electrode's cost-effectiveness and eco-friendly nature make it a promising candidate for sustainable electro-organic synthesis processes. The synthesized (S)-2-Nitro-1-Phenylethanol derivatives 4(a-m) derivatives were identified and their properties reported through melting point, 1HNMR, Mass and CHN analyses.

Ciprofloxacin adsorption onto Pumice-bentonite composites: Modeling, kinetics, equilibriums and reusability studies

BackgroundA new Bentonite-loaded Pumice adsorbent (P-BNT3) was successfully synthesized as an efficient adsorbent for CIP removal from aqueous solutions. MethodsIn the present study, P-BNT3 composite synthesized by hydrothermal technique (24 h @160 °C) was loaded with Bentonite (BNT) using ultrasonication (20 min @25 °C) to remove CIP antibiotic. P-BNT3 composite was characterized by FTIR, XRD, BET, TGA, SEM, and TEM analyses. XRD, SEM, and TEM analyses indicate effective coupling of Pumice/ BNT strong layers with highly porous heterogeneous structure. Adsorption of CIP is studied as a function of pH, dosage, contact time, initial CIP concentration, and temperature in a batch reactor to obtain the maximum adsorption capacity (qm). Significant FindingsA MFSO kinetic model (R2= 0.983) and Langmuir and Dubinin–Radushkevich isotherm model (R2= 0.989 and 0.986) provide good fits to the experimental. The highest amount of CIP adsorbed is 54 mg/g at pH=2.0, which is 5 folds higher than pristine Pumice. The adsorption equilibrium was attained in 240 min with P-BNT3 for a CIP concentration of 30 mg/L. The characterization of spent composites after CIP adsorption suggested that CIP adsorption onto P-BNT3 composite is governed by π-π interaction, chemical complexation, and surface interactions. Based on thermodynamic investigation over the temperature range of 298 ̶ 318 K, CIP adsorption on P-BNT3 was a spontaneous (-ΔG°) and endothermic (ΔH°=+5.313) phenomenon. Furthermore, the adsorption-desorption procedure demonstrated that the composite could be efficiently reused up to 5 times. However, expensive desorption costs and the inevitable secondary effluent are a challenge in the practical implementation. Based on the findings, the P-BNT3 composite has great potential for the removal of other pharmaceutical compounds.

Design and preparation of a novel Mg–Al LDH@EDTA-Melamine nanocomposite for effective adsorptive removal of methylene blue and rhodamine B dyes from water

This paper deals with the preparation of a novel nanocomposite consisted of magnesium-aluminum layered double hydroxide (Mg–Al LDH) and ethylenediaminetetraacetic acid (EDTA) as well as melamine (MA) as an adsorbent. This nanocomposite was utilized to adsorb different dyes such as rhodamine B (RhB) and methylene blue (MB) from water. The prepared adsorbent was characterized using FT-IR, EDS, XRD, TGA, and FE-SEM analyses. The effects of various parameters such as concentration, time, adsorbent dosage, temperature, and pH were tested to investigate their influence on adsorption conditions. Both methylene blue and rhodamine B dyes showed pseudo-second-order adsorption kinetics, and their adsorption followed the Langmuir isotherm. Moreover, the maximum adsorption capacities for methylene blue and rhodamine B were found to be 1111.103 mg/g at 45 °C and 232.558 mg/g at 60 °C, respectively. Additionally, the adsorption processes were found to be spontaneous (ΔG°< 0, for both dyes) and exothermic (ΔH° = −12.42 kJ/mol for methylene blue and ΔH° = −25.84 kJ/mol for rhodamine B) for both dyes. Hydrogen bonding and electrostatic forces are responsible for the interactions occur between the nanocomposite and the functional groups in the dyes. The experimental findings demonstrated a greater adsorption rate of MB than RhB, suggesting the adsorbent's stronger affinity for MB. This preference is likely due to MB's size, specific functional groups, and smaller molecule size, enabling stronger interactions and more efficient access to adsorption sites compared to RhB. Even after recycling 4 times, the dye adsorption percentages of the adsorbent for MB and RhB dyes were 90 % and 87 %, but the desorption percentages of the adsorbate dyes were 85 % and 80 %, respectively. The prepared adsorbent boasts several unique properties, such as the swift and effortless adsorption of MB and RhB dyes, straightforward synthesis, mild adsorption conditions, remarkable efficiency, and the ability to be recycled up to 4 times without a significant decrease in activity.

Catalytic decomposition of HFC-134a over metal oxide and phosphate catalysts to VDF: Reaction pathways of CH4 addition

HFC-134a refrigerants are commonly used in air-conditioners and refrigerators. HFC-134a has a GWP 1,430 times higher than that of CO2 and contributes significantly to climate change. Therefore, research has been conducted to eliminate HFC-134a via catalytic decomposition. The catalytic decomposition of HFC-134a with the addition of CH4 over metal oxide (CaO, MgO, and Al2O3) and phosphate catalysts (Ca2P2O7, Mg2P2O7, and AlPO4) is described herein. The prepared catalysts were characterized by NH3-TPD, TGA, and BET analysis. Metal phosphate catalysts exhibited higher HF resistance than metal oxide catalysts. XRD, XRF, and SEM-EDS confirmed the superior resistance of metal phosphates to corrosive hydrogen fluoride (HF). VDF (C2H2F2) is a valuable feed product that can be polymerized into polyvinylidene fluoride (PVDF). In addition, the VDF yield increased with CH4 addition during the HFC-134a decomposition reaction. The CaP-calcium phosphate-catalysts exhibited an efficiency of more than 80 % and the highest VDF yield of 28.8 % after 10 h at 900 °C, 1 bar, and HFC-134a:CH4:N2 = 1:2:17 and RT = 1.0. The introduced CH4 feed acts as a CH3 donor during the decomposition of HFC-134a. Consequently, a comprehensive mechanism of VDF synthesis was proposed by comparing the presence of CH4 feed.

Effect of magnesium hydroxide fly ash compounded flame retardant on the properties of polyvinyl chloride

Abstract This study investigated the effects of compound flame retardants on polyvinyl chloride (PVC) film. Four F-M/PVC composite film materials (F0.1M0.1/PVC, F0.1M0.2/PVC, F0.1M0.3/PVC, and F0.1M0.4/PVC) were obtained by blending different ratios of fly ash (FA) and magnesium hydroxide (MH(OH)2, MH) compounded flame retardants (F-M) with PVC. The mechanical properties, thermal stability, and smoke density of the composite film materials were examined. The results showed that the loss of mechanical properties of F0.1M0.2/PVC composites was small. TGA analysis showed that the thermal stability of the four F-M/PVC composites was improved. The degradation temperature of pure PVC at T50 was 286.5°C, and that of F0.1M0.2/PVC composites was 335.38°C. Smoke density analysis showed that the maximum smoke density of pure PVC was 6.310, and the maximum smoke density of the composite material (F0.1M0.4/PVC) was reduced to 5.960, which had a better smoke suppression effect. For the comprehensive utilization of Salt Lake magnesium resources, the development of PVC composite film materials to provide the experimental basis has a strong practical value.

Asymmetric Supercapacitors Based on ZnCo2O4 Nanohexagons and Orange Peel Derived Activated Carbon Electrodes.

Herein, the performance of asymmetric supercapacitors (ASC) fabricated using ZnCo2O4 (ZCO) nano-hexagons and orange peel-derived activated carbon (OPAC) as electrodes was studied. ZCO was prepared by a double hydroxide method and OPAC was prepared from orange peel followed by KOH activation. For ZCO, the calcination temperature was determined using TGA analysis. The XRD showed the presence of a cubic spinel structure. The chemical structure was analyzed using XPS, FTIR, and Raman spectroscopy respectively. For OPAC, the presence of an amorphous nature was inferred; FTIR and Raman studies indicate the presence of functional groups and defect structure in the material. The presence of ZCO nano-hexagons was observed from SEM and TEM respectively. For OPAC, an interconnected pore structure was observed from the SEM image. The specific capacitance for ZCO and OPAC was found to be 194 F.g-1 and 159 F.g-1 at a current density of 0.25 A.g-1. Further, an ASC was fabricated using ZCO as a positive and OPAC as a negative electrode in 2M KOH-soaked separator. A cell voltage of 1.2 V was achieved and the specific capacitance was calculated to be 64 F.g-1 at 0.25 A.g-1. Further, the cyclic stability and the changes at the electrode/electrolyte interface were studied.

Textile effluent treatments using natural adsorbents and vapor absorption technology: A box behnken design approach

The untreated effluents from textile industries pose significant hazards to the environment and human health, exacerbating challenges in effluent disposal management and water scarcity. In response, various methods, particularly adsorption, have been widely employed in chemical and process industries to remove contaminants. This study focuses on converting industrial effluents into potable water using natural adsorption and vapor absorption techniques and optimizing the method with Response Surface Methodology (RSM) analysis using Box-Behnken design (BBD). The optimized condition obtained through RSM was replicated and found to have an adsorption capacity of 45 % after the column and 65 % total removal after the vapor absorption column. Activated carbon samples from textile industries underwent characterization techniques such as FTIR, XRD, TGA, and SEM analyses. Different adsorbing materials including date seeds, tamarind seeds, and palm leaves were utilized for effluent purification. Chemical analyses were conducted on raw effluent, settled effluent, and condensed water and showed that there is a certain metal ion removal. Through this approach, the study aims to provide an eco-friendly and economically viable solution for effluent treatment, addressing both environmental concerns and resource management challenges and a possible coupling of two different approaches into a viable solution.

Effect of Silica Crystalline State on Hydration Products of Tricalcium Silicate at High Temperatures.

The mechanical performance of grade G oil well cement stones declines significantly when subjected to temperatures exceeding 110 °C; the strategy to mitigate the impact of high temperatures is by incorporating siliceous materials. However, it is important to note that the crystalline properties of siliceous materials vary, leading to different effects on the temperature reduction. This study focuses on tricalcium silicate (C3S), the primary component of oil well cement. The impact of different types of silica, including amorphous silica (nanosilica, silica fume) and crystalline silica (quartz sand), on the hydration of C3S was investigated using 1H NMR, XRD, TGA, and SEM-EDS analyses. The results show that siliceous materials can significantly prevent the strength decrease of C3S hardening products at high temperatures and inhibit the rise of porosity and permeability. Adding excessive amorphous siliceous materials, such as nanosilica, can cause agglomeration, resulting in a porous structure of C3S hardening products and hindering their strength. Amorphous silica fume is more reactive than crystalline silica sand and can rapidly initiate a pozzolanic reaction with calcium hydroxide. Siliceous materials also convert high-Ca/Si of C-S-H (hillebrandite, jaffeite, and reinhardbraunsite) into low-Ca/Si of C-S-H (gyrolite, okenite, tobermorite, nekoite). Siliceous materials reduce the porosity and permeability of C3S hardening products and enhance their mechanical properties through the filling and transformation of hydration products.

A Study of Plant-Filled Polymer Composites Based on Highly Plasticized Polyvinyl Chloride.

To enhance the ecological properties of polyvinyl chloride (PVC) products, the fabrication of PVC-based composites using biofillers with acceptable performance characteristics could be considered. In this work, plant-filled PVC-based composite materials were fabricated and their optical, structural, thermal, and mechanical properties, depending on the nature of the filler, were studied. Spruce flour, birch flour, and rice husk were used as fillers. Optical measurements showed the selected technological parameters, allowing films with a uniform distribution of dispersed plant filler in the polymer matrix to be obtained. Using the plant fillers in PVC films leads to a reduction in strength characteristics; for instance, the tensile strength changed from 18.0 MPa (for pure PVC film) to ~7 MPa (for composites with 20 wt.% of fillers), and to ~5-6.2 MPa (for composites with 40 wt.% of fillers). Thermal investigations showed that the samples with plant fillers could be used at low temperatures without changing their operating characteristics. Thus, plant-filled PVC-based composite materials have a wide operating temperature range, from-65 °C to 150 °C. TGA analysis has demonstrated that the rice husk affected the thermal stability of the composites by increasing their thermal decomposition resistance. The ability to absorb water was observed during the investigation of water absorption of the samples. And the highest degree of water absorption (up to 160 mg/g) was detected for the sample with 40 wt.% of rice husk. In general, plant-filled polymer composites based on PVC can be used on an equal basis with unfilled PVC plastic compounds for some applications such as in construction (for example, for design tasks).

Synthesis of a Family of Pd(II) Complexes Using Pyridyl-Ketone Ligands: Crystal Structure, Thermal, Physicochemical, XRD/HSA, Docking, and Heck Reaction Application.

Four Pd(II) complexes, (dpk)PdCl2 (complex-1), and (dpk)Pd(OAc)2 (complex-2) have been prepared using di(2-pyridyl) ketone as the chelate ligand (dpk). The (dpk·EtOH)PdCl2 (complex-3) and (dpk·EtOH)Pd(OAc)2 (complex-4) were synthesized by selectively introducing complex-1 and complex-2 to an EtOH in situ nucleophilic addition reaction on the O=C of the dpk ligand, respectively. All complexes were characterized using CHN-EA, UV-vis, FT-IR, FAB-MS, EDX, TGA, and NMR physicochemical tools. The XRD-crystallography technique was employed to ascertain the structure of complex-3. The analysis revealed a monoclinic/P21/c crystal system characterized by a square planar structure oriented in the cis direction around the Pd center. Several C-H···Cl and O-H···O H-bonds constructing 2D-S12 and S7 synthons were confirmed via XRD/HSA interactions. The influence of EtOH addition to the O=C group of dpk in (dpk)PdCl2 was documented by using UV-vis/FT-IR spectra and TGA analysis. As catalysts, all complexes have demonstrated a notable catalytic function in the Heck reaction, resulting in a high yield under gentle conditions using iodobenzene and methyl acrylate as model reactions. Moreover, the complex-1 and complex-3 docking activity was evaluated against 1BNA-DNA.

Novel crosslinked gum tragacanth electrolyte with enhanced thermal, mechanical and water resistive properties

Although electrolytes prepared from natural substances have taken up research towards a greener future, practical difficulties in their mechanical and water resistive properties are yet to be addressed by many. In this current paper, a natural gum tragacanth is graft copolymerized with tertiary butyl acrylate utilising glutaraldehyde as the crosslinker and ascorbic acid and potassium persulfate as the initiators. From the TGA analysis, enhanced thermal stability is observed in the crosslinked membrane. The DSC analysis reveals that the crosslinked gum exhibits a glass transition temperature (Tg) of 66 °C and a melting temperature (Tm) of 86 °C. The water uptake of the crosslinked membrane was found to be lower than the pure non-crosslinked membrane. The stress-strain curves of the crosslinked electrolyte showed a tensile strength of 3.58Mpa and a percent elongation of 302%. The effect of the crosslinker glutaraldehyde and the ionic salt lithium nitrate is studied with the help of XRD and FTIR. The electrolyte is characterised to be a good ionic conductive membrane as its conductivity value is found to be 4.72 ×10−4 Scm−1 through EIS measurements. The Arrhenius behaviour of temperature-dependent conductivity was studied and the activation energy values for all the films were calculated.

New phthalazine based nickel (II), cobalt (II), and copper (II) mixed-ligand complexes; characterization, physicochemical properties, anti-inflammatory, antifungal, antibacterial, DFT and molecular docking exploration

In this study, we have employed a straightforward and easily synthesized ligand, namely 1,4-dioxo-3,4-dihydrophthalazine-2(1H)-carbothioamide (DDPC), in conjunction with 8-hydroxyquinoline (QOL) to create new mixed-ligand complex compounds such as Co (II) (C1), Ni (II) (C2), and Cu (II) (C3). Recent research has been dedicated to investigating their antibacterial, antifungal, & anti-inflammatory efficacy. Our approach involved the synthesis and characterization of these novel C1, C2, and C3 mixed-ligand complexes using various analytical methods, having elemental analysis, MS, FT-IR, UV spectroscopy, magnetic, TGA, and stoichiometry analysis by molar ratio methods. Octahedral structures were identified for isolated metal complexes. Utilizing density functional theory (DFT), we estimated the quantum chemical characteristics and optimized molecular structures for each compound. To evaluate their effectiveness in inhibiting the proliferation of harmful microorganisms, a disc diffusion test was conducted. The produced complex compounds displayed meaningfully improved antibacterial & antifungal effectiveness in comparison with the free ligands. Additionally, we investigated the anti-inflammatory effects employing the Egg albumin denaturation method. C1, C2, and C3 complexes demonstrated substantial anti-inflammatory potential, surpassing the free ligands & showing analogous efficacy to standard references. Molecular docking analyses against 5JQ9 and 6CLV from Escherichia coli, Staphylococcus aureus, and COX-2 (5IKT) as an anti-inflammatory effectiveness of enzymes confirmed the bioactivity. Among the tested compounds, C3 exhibited the highest binding affinity, suggesting its potential as a building block for the development of new antibiotics. Finally, we correlated the DFT and molecular docking results with in vitro activities and provided a comprehensive discussion.