Macromolecular Symposia最新文献

Artificial intelligence (AI) and machine learning (ML) have advanced tremendously in the previous 5 years regarding polymer science. Polymers are materials with enormous versatility that are now widely used. Polymers have found extensive applications in several fields such as energy storage, construction, medical, aerospace, and other industries. This study is presently in the era of the 4.0 industry, a transformative period that is profoundly reshaping both business and society in an unprecedented manner specifically in developing countries. Data-driven strategies for process analysis and control are crucial in expediting the creation of polymer production processes while maintaining product quality and avoiding a rise in production cost. More and more scientists are utilizing polymer informatics and data science to create new materials and understand the connections between their molecular structure and characteristics. The field of polymer informatics is relatively new. Even though there are a lot of helpful databases and tools accessible, not many are used frequently. The application of AI is starting to have an influence on several aspects of human existence, including fields such as science and technology. Polymer informatics is a field that utilizes AI and ML techniques to enhance the process of developing, designing, and discovering polymers. Based on these ideas, it examines the burgeoning fields of ML-assisted polymer informatics in this research. It also looks at these new developments in the polymeric informatics ecosystem and talks about upcoming potential and problems for applications.

Activated carbon-ionic imprinted polymer (AC-IIP) is synthesized for the removal of arsenic from water. The IIP is constructed using allylthiourea (AT) as monomer and arsenic as template. The binding properties of the AC-IIP are characterized and detected using Inductively Coupled Plasma-Optical Emission Spectroscopy (ICP-OES) with parameters including comparison of the packing with IIP and without IIP in continuous flow mode, recyclability study and pH effect. The comparison between packing with IIP and without IIP shows an adsorption percentage of 99% until the third cycle, and then the adsorption efficiency drops during the fourth and fifth cycles. The value of adsorption for packing media with IIP is slightly lower than packing media without IIP which is at 98.6% and 98.9% removal efficiency. The optimum pH is at pH 5 which percentage removal is 99%. The recyclability study proves that the AC-IIP can be recycled up to five times with 99% removal at an acidic condition which is at pH 5. Mild pH shows no impact in the recovery of arsenic species into free solution. As a conclusion, AC-IIP shows a high quality of removal efficiency and sorption capacity loaded. Based on the performance demonstrated, AC-IIP is a promising method for arsenic removal from water.

Boehmite–graphene oxide nanocomposite is prepared by electrochemical method via the reaction of graphene oxide (GO) within the electrochemical cell that contain aluminum alloy as electrodes. The resulted nanocomposite (B–GO) is mixed with polysulfone (PS) and electrospun to prepare polysulfone–boehmite–graphene oxide microfiber that is characterized by XRD and SEM. This microfiber is used to examine it efficiency in the degradation of methylene blue (MB, 100 ppm) under visible (500-W lamp) and solar lights. The optimal conditions (pH, dosage of B–GO, time, temperature) are studied, and the result show that the nanofibers are able to degrade more than 80% of MB under visible light and more than 99% under solar light.

In present paper the authors targeted to present the recent Ionic Liquids doped polymer electrolyte and tested its electrochemical, thermal, and physicochemical properties, which are decisive for Electrochemical devices. Ionic Liquids can also be considered designer solvents to substitute the more flammable organic carbonates and enhance the green credentials and performance of renewable energy storage devices mainly Supercapacitor and Lithium Ioin Battery. This review presents the recent Ionic Liquids doped electrolyte electrochemical, thermal, and physicochemical properties, which are decisive for supercapacitors and lithium-ion batteries. Ionic Liquids can also be considered designer solvents to substitute the more flammable organic carbonates and enhance the green credentials and performance of renewable energy storage devices like Supercapacitor, Batteries.

The proteins N and M, 3′-5′ exoribonuclease (nsp14), viral proteases, and RNA dependent RNA polymerase (RdRp) are required for different stages of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) viral replication. For many antiviral therapies, these are thus desirable targets. Due to the primary protease's differences from human proteases, it is thought to be a suitable therapeutic target. Phytochemicals with antiviral characteristics are possible strong weapons in the fight against SAR-CoV-2. Coumarins are one type of phytochemical found in Angelica archangelica L. that can possibly be utilized to produce an alternative natural antiviral molecule. Forty-six bioactive phytochemicals selected from A. archangelica therapeutic plant are found to have an antiviral effect against SARS-CoV-2 protease. From the screened compounds, terpinen-4-ol and coniferyl ferulate exhibit strong molecular bonding interaction in molecular docking study with the binding energies (−8.82) to (−10.11) kcal mol⁻¹ against main protease receptor protein (pdb id: 6lu7 and 6w63) of SARS-CoV-2, individually. The major mode of binding is H-bonding majorly with the participation of dynamic spot catalytic residue HIS-41 and CYS-145. Coniferyl ferulate has a maximum binding energy of −10.11 and −11.23 kcal mol⁻¹ in complexation along the proteases receptor (6lu7 and 6w63). Coniferyl ferulate is a stronger COVID-19 inhibitor, which ought to be investigated as a potential therapeutic target for this virus.

In light of the medical significance of quinazoline derivatives, this study focuses on the synthesis of new quinazoline derivatives derived from the reaction of hydrazones with amino benzoic acid. Ethyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate, obtained via the Biginelli reaction, serves as a nucleophile in the preparation of hydrazides. Subsequently, these hydrazides react with various benzaldehyde derivatives to form hydrazones. The synthesized compounds are characterized using physical and spectroscopic techniques including melting point determination, NMR spectroscopy (¹H-NMR and ¹³C-NMR), and FTIR spectroscopy to confirm their chemical structure. The biological activity of these compounds is evaluated against two bacterial strains, Escherichia coli and Staphylococcus aureus, to assess their potential application in antimicrobial therapy.

This work looks at the ecologically friendly synthesis of titanium dioxide nanoparticles (TiO₂NPs) using Etlingera elatior (EE) and how various calcination temperatures affect their structure. X-ray diffraction (XRD) analysis indicate that the green TiO₂NPs' crystallite diameters range from 140.12 to 143.46 nm. Due to the limits of conventional XRD, the green TiO₂NPs are further characterised using synchrotron XRD (SXRD). SXRD analysis reveals that when calcination temperatures rise, crystallite size gradually increases, and rutile phase formation occurs. Hydrodynamic processes cause bigger particle sizes in dynamic light scattering (DLS). The absorbance spectra of green TiO₂NPs are found to be between 205 and 208 nm. Fourier transform infrared (FTIR) spectroscopy validate the chemical structures of the TiO₂NPs present. The Raman analysis confirm the existence of both anatase and rutile phases, which are visible in SXRD. Thermogravimetric analysis (TGA) reveals that owing to high calcination temperatures, thermal degradation is minimal due to organic component loss during the calcination process. Further examination into its environmental toxicity demonstrated that green TiO₂NPs are less harmful than commercialised P25 titania in a brine shrimp lethality assay. The study's findings show that green synthesis is environmentally safe. Aside from that, calcination for green TiO₂NPs is unnecessary in future work as it increases particle size as shown in SXRD.

PVDF is a semicrystalline polymer made up of repeating units of ─CH₂CF₂─ monomer and has five crystalline phases, which are α, β, γ, δ, and ε-phases. However, piezoelectricity of PVDF is dependent on the β-phase crystalline. Thus, to increase the formation of the β-phase, CNCs with various weights (1%–5%) are incorporated into PVDF by using the electrospinning method. The influence of CNCs on electrospun PVDF/CNCs is investigated by using analytical methods such as FESEM, FTIR, XRD, universal testing machine (UTM), electrochemical impedance spectroscopy (EIS), and piezoelectric d₃₃ meter. After incorporating CNCs into electrospun PVDF, two peaks of α-phase diminished in FTIR absorption and the addition also enhanced mechanical and dielectric properties of the membrane. The piezoelectric constant, dielectric properties, and β-phase content also increased with higher CNCs addition. PVDF with 4% CNCs has the highest β-phase content up to 91.74% with the maximum piezoelectric constant, d₃₃ of 45.0 pCN⁻¹ and dielectric constant of 5.4.

A variety of engineering applications involves use of polypropylene (PP) for the production of components used in automobiles, bio-medicals, electronic packaging, machine parts and electric vehicles and so on. However, high flammability, low melting-point, low heat-resistance and incompatibility of filler materials like CNT in the matrix of polypropylene imposed challenges in the development of polypropylene and carbon nanotubes (PP-CNT) composites that has drew attention of researchers toward the development and characterization of PP-CNT composites now a days. The past research work has shown that the improved properties of PP-CNT composites are due to the good properties of PP mixed with fillers of CNT that too possesses excellent properties like high thermal conductivity, good electron mobility, and strength along with formation of conductivity networks in composite matrix. The development of PP-CNT composites faces challenges of good dispersion of CNTs in the matrix of polypropylene and the selection of best fabrication method to develop it. Therefore, the objective of this review paper is to focus on the various contributions of CNTs on the mechanical properties of advanced PP-CNT composites. The results drawn from the various research work done has been summarized for future reference and for both academic and industrial applications. This paper discussed about the present challenges faced in the development of PP-CNT composites and future directions with their application.

This study investigates the use of pineapple peel waste (Ananas comosus L. Merr), as a substrate for fermentation-based ethanol production. The samples are pretreated, employed for acidic hydrolysis, and fermented under different temperatures and pH conditions. Total reducing sugar (TRS) and ethanol content are determined. The results show that the TRS concentration decreases from 1817 ± 28.87 to 777 ± 25.17 µg mL⁻¹ during 0–168 h, indicating sugar consumption during fermentation. The ethanol concentration is 6.6% ± 0.2% and optimal ethanol production is at 25 °C with pH 6. These findings suggest that controlled fermentation of pineapple peel waste can be a viable technique for ethanol production, contributing to improved waste management and the development of alternate energy resources.