Crystal Structure of 7-Phenyl-5,6-Dihydro-14-Aza-[1]benzopyrano[3,4-b]phenanthren-8H-One

Crystallography Reports - The crystal structure of the title compound is determined by single crystal X-ray structure analysis. The crystals are monoclinic, space group P21/c, a = 13.607(3) Å,...     

Advancements and Perspectives toward Lignin Valorization via O-Demethylation

Lignin represents the largest aromatic carbon resource in plants, holding significant promise as a renewable feedstock for bioaromatics and other cyclic hydrocarbons in the context of the circular bioeconomy. However, the methoxy groups of aryl methyl ethers, abundantly found in technical lignins and lignin-derived chemicals, limit their pertinent chemical reactivity and broader applicability. Unlocking the phenolic hydroxyl functionality through O-demethylation (ODM) has emerged as a valuable approach to mitigate this need and enables further applications. In this review, we provide a comprehensive summary of the progress in the valorization of technical lignin and lignin-derived chemicals via ODM, both catalytic and non-catalytic reactions. Furthermore, a detailed analysis of the properties and potential applications of the O-demethylated products is presented, accompanied by a systematic overview of available ODM reactions. This review primarily focuses on enhancing the phenolic hydroxyl content in lignin-derived species through ODM, showcasing its potential in the catalytic funneling of lignin and value-added applications. A comprehensive synopsis and future outlook are included in the concluding section of this review.     

λ-Shaped mesogens based on chalconyl ester core having variable side chain: Synthesis and characterisation

In present study, we have synthesized two newly chalconyl-ester core LCs having variable side chain and fixed disubstituted butoxy group at another terminal end. All this compounds were well characterized by elemental analysis, FT-IR, ¹H NMR. The mesomorphic properties of these compounds were observed by optical polarized light microscopy (POM) and also confirmed by using differential scanning calorimetry (DSC) and X-ray diffraction pattern (XRD). Detailed XRD investigation endorses the presence of the nematic phase in higher angle region and SmC phase in lower angle region. In addition, it is found that all the prepared materials display enantiotropic LCs phases except first four members in series-1 and first member in series-2. Thermal stability of SmC and nematic phase of series-1 is higher as compare to series-2. To get more insights, the DFT based HOMO, LUMO studies are carried out which supports intramolecular charge transfer interactions and stability in this class of mesogens.     

Biochemical and Biophysical Characterisation of the Hepatitis E Virus Guanine-7-Methyltransferase

Hepatitis E virus (HEV) is an understudied pathogen that causes infection through fecal contaminated drinking water and is prominently found in South Asian countries. The virus affects ~20 million people annually, leading to ~60,000 infections per year. The positive-stranded RNA genome of the HEV genotype 1 has four conserved open reading frames (ORFs), of which ORF1 encodes a polyprotein of 180 kDa in size, which is processed into four non-structural enzymes: methyltransferase (MTase), papain-like cysteine protease, RNA-dependent RNA polymerase, and RNA helicase. MTase is known to methylate guanosine triphosphate at the 5′-end of viral RNA, thereby preventing its degradation by host nucleases. In the present study, we cloned, expressed, and purified MTase spanning 33–353 amino acids of HEV genotype 1. The activity of the purified enzyme and the conformational changes were established through biochemical and biophysical studies. The binding affinity of MTase with magnesium ions (Mg²⁺) was studied by isothermal calorimetry (ITC), microscale thermophoresis (MST), far-UV CD analysis and, fluorescence quenching. In summary, a short stretch of nucleotides has been cloned, coding for the HEV MTase of 37 kDa, which binds Mg²⁺ and modulate its activity. The chelation of magnesium reversed the changes, confirming its role in enzyme activity.     

Critical Review on Metal-Based Cosmetic Products

Most people utilize cosmetics to enhance or improve their physical appearance, regardless of their gender, race, or age. Heavy metals (HMs) are impurities or ingredients in many cosmetic products. According to recent studies, these metals can result in a variety of skin and health issues. Numerous studies demonstrate that the mismanaged formulation of such products without sufficient standardization of toxic metals throughout the production process is the primary reason for the high level of HM contamination in the samples. In order to prevent human exposure to such dangerous HMs, it is vital to monitor and manage the fate of HMs in cosmetic items, especially unbranded ones. Due to the wasteful interest of producers in making extra profit, the standards are not being imposed. Moreover, consumers are also ready to compromise with the product due to their unawareness of its hazardous impact on their skin and bodies. Short-term results on their looks may cause fatal effects on their health. Another significant issue that requires attention is the lack of safety regulations in the country for evaluating HMs in cosmetic products. Additionally, there is an urgent need to establish acceptable limits for potential impurities in cosmetic products that must be enforced at local levels. This review provides a comprehensive insight into the content of HMs in cosmetics and their effects on several organs and the site of application.     

From liquid to crystal via mechanochemical grinding: unique host–guest (HOF) cocrystal

Mechanochemical synthesis via grinding of trimesic acid (TA, C₉H₆O₆) and 4-chlorophenyl diphenyl phosphate (4CDP, C₁₈H₁₄ClO₄P) (liquid at room temperature) in a 1:1 ratio resulted in the formation of an inclusion type of cocrystal. The crystallization of this phase via slow evaporation at low temperature (276–277 K) from methanol resulted in a rare `stairstep morphology' during the process of crystal growth. This morphology was not observed after crystallization of the compound from other solvents like toluene, dichloromethane, acetone, hexane and isooctane, and hence this was characteristically observed in methanol only. The characterization from single-crystal X-ray diffraction revealed the formation of a cocrystal with five molecules of TA and two molecules of 4CDP in the asymmetric unit. The trimesic acid molecules form hydrogen-bonded dimers resulting in hexagonal rings, and these rings are stacked through π–π intermolecular interactions to make a hexagonal honeycomb-like structure. The phosphate molecules, 4CDP, were found to be trapped as guests in these hexagonal channels. The similarity in the packing of trimesic acid is compared in the cocrystal and the free acid quantitatively viaXpac analysis, which establishes the relationship of a `2D supramolecular construct' between them. This signifies a unique type of arrangement in which the voids created by the trimesic acid moiety do not undergo distortion by the inclusion of the guest molecules. The quantitative analysis of the intermolecular interactions using Hirshfeld surfaces and fingerprint plots deciphers the role of both strong O—H…O hydrogen bonds and weak intermolecular interactions in the crystal packing.