A facile route has been reported to formulate mesoporous and covalently tethered superhydrophobic (160°) metal (Mn(II)) coordinated bio-polyurethane (PU) films/coatings. Technical cashew nut shell liquid-Formaldehyde (TCNSL-F) pre-polymer was used to prepare three different metal-coordinated polyurethane {Mn(II)TCNSL-F-PU20/25/30} films/coatings by using toluene diisocyanate (TDI) (20 %, 25 %, and 30 % w.r.t. polyol) as chain extender. Fourier transform infrared (FTIR) spectroscopy analyzes the chemical structures and changes in functional groups (-OH, >CO, -NCO), while X-ray diffraction (XRD) patterns reveal the amorphous nature of these films. The coordination with metal ions improves the chemical resistance, swelling ability (pH 4, 7.4, and 10), physicomechanical properties (scratch resistance (2.2 lb), impact resistance (150 lb/in.), bending (1/8 in.), adhesion, and gloss (98 GU) of the final coatings. Thermogravimetric analysis and its derivative (TGA and DTA) demonstrate the relatively high thermal stability (up to 200 ℃) and flame retardancy with a limited oxygen index value of 27.58. Optical microscopy, field emission scanning electron (FE-SEM), and transmission electron microscopy (TEM) images confirm the development of a well-patterned spherical nanostructure within the resin. The N2 adsorption/desorption studies reveal that Mn(II)TCNSL-F-PU25 has a Brunauer-Emmett-Teller surface area of 340.783 m2/g with a 3–3.2 nm pore diameter. Electrochemical impedance spectroscopy (EIS) demonstrates (3.5 wt% NaCl solution) a superior anticorrosion performance, protective capabilities, and compactness to a metal-coordinated substrate. The high impedance, solvent resistance, and low capacitance of coatings support the potential protective capabilities of the coating for the given immersion times. In addition, antibacterial activity ascertains the inhibition ability of the coordinated films against various bacterial strains i.e., E. coli, S. aureus, K. pneumonia, and B. subtilis. The formulated Mn(II)-coordinated PU has potential to become multi-functional surface-protective material. 

Superhydrophobic Mn-coordinated technical cashew nut shell liquid-based bactericidal and corrosion-resistant advanced polyurethane coatings

Biomass-derived nanostructures and hydrothermal carbon spheres: A review of electrochemical applications in redox flow battery

This work reports the solvent, catalyst and cross-linker free green synthesis of silver (Ag)-doped cardanol-based multifunctional polymer nanocomposite (PNC) coatings. The interaction of Ag ions with the polymeric backbone and in-situ formation of nanoparticles (NP) was confirmed by various characterization techniques. The optimum curing temperature (120-170oC) and Ag concentration (1%) required for the free-standing film/coating with durable mechanical and chemical resistant properties in acidic/basic/salt solutions was studied. The high gel content (degree of crosslinking, 98%) and thermal stability up to 345 °C endorse the formulation of a well-cross-linked polymeric film/coating. XRD (approx. 27 nm) indicated the formation of crystalline silver nanoparticles within the polymer matrix, whereas SEM and TEM explored the distribution (200-700 nm). EIS studies for three weeks in 3.5% NaCl solution showed the exceptional corrosion inhibition efficiency (98-91%) of the coatings on steel substrate. The stable coating resistance value (MΩ.cm-2) throughout the study highlights the formation of a hydrophobic barrier with good resistance against the corrosive ions. Additionally, the potent antibacterial impact against Gram-positive, and Gram-negative bacteria, and the antifungal activity of the nanocomposite were attributed to the presence of Ag in the PNC. The multifunctional properties arise from the in-situ formed nanostructure and its synergistic effect with the biopolymer matrix projects its versatile industrial application. 

A facile cleaner approach towards the synthesis of silver-doped cardanol-based hydrophobic antimicrobial and anticorrosive polymeric coating material

Abstract As the world is struggling with the pandemic. Various infectious diseases have become a threat to human health. Millions of deaths are caused by these microbial infections (bacterial, fungal, and viral infections). The process of designing and discovering new drugs is very expensive and it also consumes a good amount of time. As per available data, the process of discovery and designing takes 3–20 years to complete. There is a strong urge and demand to discover new methods to make the process of drug design and development more cost‐effective. Computational methods are one the novel methods for designing and developing a drug. In this respect, in‐silico parameters; ADME (Absorption, Distribution, Metabolism, and Excretion) models have been established with various levels of complication for the transmission of huge data of derivatives/ligands/drugs. Nowadays, in‐silico tools are more cost‐effective, faster, and simpler than transitional experimental trials. Currently, the pharmaceutical industry faces a huge erosion rate of preclinical and clinical applicants due to the unavailability of pharmacokinetics properties and huge toxicity. These can be minimized via structural modifications of drugs and can help medicinal chemists/pharmacists. In this report, various methodologies and steps have been explained via molecular docking that will lead to drug development in lesser time against various stains. 

Computational/In‐Silico Methods: An Influential Approach for Drug Designing and Development

Harnessing transition metal oxide‑carbon heterostructures: Pioneering electrocatalysts for energy systems and other applications



The development of low-cost, high-efficiency electrode materials for supercapacitors is motivated by the growing need for green and affordable clean energy (SDG goal 7). Developing new energy conversion and storage technologies, such as supercapacitors, batteries, and fuel cells, is a viable option for meeting energy demands while addressing environmental concerns. Recent advances in carbonaceous materials derived from biowaste for supercapacitor applications have piqued the interest of academics and industry alike. Because of their large surface area and porous structure, activated carbon-based electrode materials can be used in various applications, including supercapacitors, fuel cells, and batteries. Carbonaceous materials such as carbon nanotubes, graphene, and activated carbon, exhibit EDLC-like behavior mainly due to ion adsorption at the electrode interface. In recent years, several potential strategies for the synthesis and structural architecture of biowaste-derived porous carbons have been tested with varying degrees of success. Thus, it is critical to evaluate the prospects for biowaste-derived porous carbon materials used as supercapacitor electrodes. 
In this review, we highlight how different biowaste-derived porous carbon affects the surface properties of carbon nanostructures and how this affects their electrochemical performance. Additionally, the extent to which various biowastes have been utilized as porous carbon for supercapacitor electrodes is addressed. The different synthesis techniques, such as hydrothermal carbonization, physical activation, chemical activation, and microwave-assisted activation, are briefly described in this review. Finally, we highlight fabrication techniques as well as electrochemical performance measurements such as CV, GCD, EIS, energy density, and power density.


Biowaste-based Porous Carbon for Supercapacitors: Synthesis, Fabrication and Electrochemical Performances: a review

Agro-byproduct-based hydrophobic polyurethane films/coatings: synthesis, characterization and electrochemical impedance spectroscopic analysis

The recurrence of coronavirus disease and bacterial resistant strains has drawn attention to naturally occurring bioactive molecules that can demonstrate broad-spectrum efficacy against bacteria as well as viral strains. The drug-like abilities of naturally available "anacardic acids" (AA) and their derivatives against different bacterial and viral protein targets through in-silico tools were explored. Three viral protein targets [P DB: 6Y2E (SARS-CoV-2), 1AT3 (Herpes) and 2VSM (Nipah)] and four bacterial protein targets [P DB: 2VF5 (Escherichia coli), 2VEG (Streptococcus pneumoniae), 1JIJ (Staphylococcus aureus) and 1KZN (E. coli)] were selected to evaluate the activity of bioactive AA molecules. The potential ability to inhibit the progression of microbes has been discussed based on the structure, functionality and interaction ability of these molecules on the selected protein targets for multi-disease remediation. The number of interactions, full-fitness value and energy of the ligand-target system were determined from the docked structure in SwissDock and Autodock Vina. In order to compare the efficacy of these active derivatives to that of commonly used drugs against bacteria and viruses, a few of the selected molecules were subjected to 100 ns long MD simulations. It was found that the phenolic groups and alkyl chains of AA derivatives are more likely to bind with microbial targets, that could be responsible for the improved activity against these targets. The results suggest that the proposed AA derivatives have demonstrated potential to become active drug ingredients against microbial protein targets. Further, experimental investigations are essential for clinical verification of the drug-like abilities of AA derivatives.Communicated by Ramaswamy H. Sarma.

In silico identification and validation of phenolic lipids as potential inhibitor against bacterial and viral strains.

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Biowaste-based Porous Carbon for Supercapacitors: Synthesis, Fabrication and Electrochemical Performances: a review

Agro-byproduct-based hydrophobic polyurethane films/coatings: synthesis, characterization and electrochemical impedance spectroscopic analysis

In silico identification and validation of phenolic lipids as potential inhibitor against bacterial and viral strains.