Influence of silylated nano cellulose reinforcement on the mechanical, water resistance, thermal, morphological and antibacterial properties of soy protein isolate (SPI)-based composite films.

The aim of this research work is to improve the mechanical and water-resistance properties of soy protein isolate (SPI) biofilm. In this work, 3-aminopropyltriethoxysilane (APTES) coupling-agent modified nanocellulose was introduced into the SPI matrix in the presence of citric acid cross-linker. The presence of amino groups in APTES facilitated the formation of - cross-linked structures with soy protein.

Tracing the transition from covalent to non-covalent functionalization of pyrene through C-, N-, and O-based ionic and radical substrates using quantum mechanical calculations.

Pyrene is one of the widely investigated aromatic hydrocarbons given its unique optical and electronic properties. Modulating inherent characteristics of pyrene covalent or non-covalent functionalization has been attractive for a wide variety of advanced biomedical and other device applications. In this study, we have reported the functionalization of pyrene C, N, and O based ionic and radical substrates, and emphasized the transition of covalent to non-covalent functionalization through making the modulation in the substrate.

Correction: Palladium(II)-catalyzed vinylic geminal double C-H activation and alkyne annulation reaction: synthesis of pentafulvenes.

Correction for 'Palladium(II)-catalyzed vinylic geminal double C-H activation and alkyne annulation reaction: synthesis of pentafulvenes' by Jyotshna Phukon , , 2020, , 1133-1136, https://doi.org/10.1039/C9CC09564K.

One-Pot Extraction of Bioresources from Human Hair via a Zero-Waste Green Route.

In recent years, the extraction of bioresources from biowaste via green chemistry and their utilization for the production of materials has gained global momentum due to growing awareness of the concepts of sustainability. Herein, we report a benign process using an ionic liquid (IL), 1-butyl-3-methylimidazolium chloride ([BMIM]Cl), for the simultaneous extraction of keratin and melanin from human hair. Chemical characterization, secondary structure studies, and thermal analysis of the regenerated protein were performed thoroughly.

Machine learning based dynamic consensus model for predicting blood-brain barrier permeability.

The blood-brain barrier (BBB) is an important defence mechanism that restricts disease-causing pathogens and toxins to enter the brain from the bloodstream. In recent years, many in silico methods were proposed for predicting BBB permeability, however, the reliability of these models is questionable due to the smaller and class-imbalance dataset which subsequently leads to a very high false positive rate. In this study, machine learning and deep learning-based predictive models were built using XGboost, Random Forest, Extra-tree classifiers and deep neural network.

Polyamidoamine dendrimer decorated graphene oxide as a pH-sensitive nanocarrier for the delivery of hydrophobic anticancer drug quercetin: a remedy for breast cancer.

Objectives: The aim of this study was to investigate the potential of poly(amido amine) (PAMAM) dendrimer decorated graphene oxide (GO) based nanocarrier for targeted delivery of a hydrophobic anticancer drug, quercetin (QSR).

Methods: GO-PAMAM was successfully synthesized by covalent bonding between GO and NH2-terminated PAMAM dendrimer (zero generation). To investigate drug loading performance, QSR was loaded on the surface of GO as well as GO-PAMAM.

Galaxy for open-source computational drug discovery solutions.

Introduction: Drug discovery in academia and industry poses contrasting challenges. While academia focuses on producing new knowledge, industry is keen on product development and success in clinical trials. Galaxy is a web-based open-source computational workbench which is used to analyze large datasets and is customized to integrate analysis and visualization tools in a single framework.

Synthesis of π-Extended Benzofulvenes: A Pd-Catalyzed Cascade Annulation Process Comprising C-C Bond Formation Followed by 1,6-Conjugate Addition.

A Pd-catalyzed cascade annulation process comprising C-C bond formation followed by 1,6-conjugate addition for π-extended benzofulvenes is reported. This process is compatible with a wide range of functionalities for both the -quinone methides and internal alkynes, leading to diverse π-extended benzofulvenes. Additionally, this strategy is also applicable for aryne annulation with -quinone methides.

Redox-Neutral Three-Component Coupling of Phenacyl Azides, Aldehydes, and 1,3-Dicarbonyls to Access β-Enaminodiones.

Heating an equimolar mixture of phenacyl azides, aldehydes, and cyclic 1,3-dicarbonyls to 100 °C without any solvent, catalyst, or additive led to efficient three-component redox-neutral coupling to yield β-enaminodiones in high yields (75-86%). The scope of the synthetic method that gives dinitrogen and water as the only byproducts was successfully demonstrated by synthesizing structurally diverse β-enaminodiones by taking differentially substituted phenacyl azides, aldehydes and 4-hydroxycoumarins, and 4-hydroxy-1-methylquinolin-2(1)-one and dimedone.

Biocompatible Nanodiamonds Derived from Coal Washery Rejects: Antioxidant, Antiviral, and Phytotoxic Applications.

Coal washery rejects (CWRs) are a major byproduct produced in coal washery industries. We have chemically derived biocompatible nanodiamonds (NDs) from CWRs toward a wide range of biological applications. The average particle sizes of the derived blue-emitting NDs are found to be in the range of 2-3.

Ru(II)-catalyzed oxidative coupling of sulfoxonium ylides with amines: efficient synthesis of α-ketoamides and indolo[2,1-]isoquinolines.

The first use of sulfoxonium ylides for the synthesis of α-ketoamides is described a Ru(II)-catalyzed amidation reaction with amines. The same Ru(II)-catalyzed reaction of sulfoxonium ylides with 2-phenylindoles provided indolo[2,1-]isoquinolines instead of α-ketoamides.

Occurrence, identification and characterization of diazotrophic bacteria from aerial roots of Rhynchostylis retusa (L.) Blume for plant growth-promoting activity.

In this study, the diversity of diazotrophic bacteria of orchid Rhynchostylis retusa (L.) Blume and its potential application in plant growth promotion were evaluated. About 183 nitrogen-fixing bacteria were isolated to screen various plant growth-promoting traits viz.

Genome mining to identify valuable secondary metabolites and their regulation in Actinobacteria from different niches.

Actinobacteria are the largest bacteria group with 18 significant lineages, which are ubiquitously distributed in all the possible terrains. They are known to produce more than 10,000 medically relevant compounds. Despite their ability to make critical secondary metabolites and genome sequences' availability, these two have not been linked with certainty.

Structure and stability of the sH binary hydrate cavity and host-guest versus guest-guest interactions therein: A DFT approach.

The intrinsic ability of clathrate hydrates to encage gaseous molecules is explored. Encapsulation ability depends on the cavity size and the type of guest gaseous species in addition to the physical parameters, temperature and pressure. Here we have reported the structure, stability and nature of interaction in dissimilar guest occupied sH hydrate cavity.

Rh(III)-catalyzed (5 + 2)-cycloaddition reactions of -hydroxyethyl phenols with internal alkynes: efficient synthesis of benzoxepines.

An unprecedented (5 + 2)-cycloaddition reaction of -hydroxyethyl phenol and internal alkyne was developed. This Rh(III)-catalyzed reaction provided benzoxepine derivatives which have very high biological significance. A wide range of -hydroxyethyl phenols and internal alkynes were studied to provide the benzoxepines in high yields.

CRISPR/Cas9-Mediated Mutation in and Genes Impart Genetic Tolerance to Fusarium Wilt Disease of Tomato ( L.).

Fusarium wilt is a major devastating fungal disease of tomato ( L.) caused by f. sp.

Molecular dynamics simulations reveal the effect of mutations in the RING domains of BRCA1-BARD1 complex and its relevance to the prognosis of breast cancer.

The N-terminal RING-RING domain of BRCA1-BARD1 is an E3 ubiquitin ligase complex that plays a critical role in tumor suppression through DNA double stranded repair mechanism. Mutations in the BRCA1-BARD1 heterodimer RING domains were found to have an association with breast and ovarian cancer by a way of hampering the E3 ubiquitin ligase activity. Herein, the molecular mechanism of interaction, conformational change due to the specific mutations on the BRCA1-BARD1 complex at atomic level has been examined by employing molecular modeling techniques.

Long-term adaptation of ParA, RelE/ParE partition system, replication protein and phage proteins encoding low-cost plasmids of Escherichia species isolated from diarrheic children of North East India.

Aims: The prevalent distribution of plasmid-mediated β-lactam resistance is the most pressing global problem in enteric diseases. The current work aims to characterize plasmid-carrying β-lactam resistant Enterobacteriaceae isolates from North East India for horizontal gene transfer (HGT) and plasmid adaptation study.

Methods And Results: In vitro transconjugation and transformation showed overall high conjugation frequency (4.

Mesoporous Silica Nanoparticles: Drug Delivery Vehicles for Antidiabetic Molecules.

Mesoporous silica nanoparticles (MSNs) are promising nanomaterials that are widely used in biomedical applications like drug delivery, diagnosis, bio-sensing and cell tracking. MSNs have been investigated meticulously in the drug-delivery field due to their unique chemical and pharmacokinetic properties, such as highly ordered mesopores, high surface area and pore volume, tuneable pore size, stability, surface functionalisation, and biocompatibility. MSN-based nanocomposites have been used to deliver therapeutic molecules like insulin, GLP-1, exenatide, DPP-4 inhibitor and plasmid-containing GLP-1 genes for managing diabetes mellitus for the last decade.

The Preventive and Therapeutic Potential of the Flavonoids in Liver Cirrhosis: Current and Future Perspectives.

Non-alcoholic fatty liver disease (NAFLD) may vary from moderately mild non-alcohol fatty liver (NAFL) towards the malignant variant known as non-alcoholic steatohepatitis (NASH), which is marked by fatty liver inflammation and may progress to liver cirrhosis (LC), liver cancer, fibrosis, or liver failure. Flavonoids can protect the liver from toxins through their anti-inflammatory, antioxidant, anti-cancer, and antifibrogenic pharmacological activities. Furthermore, flavonoids protect against LC by regulation of hepatic stellate cells (HSCs) trans-differentiation, inhibiting growth factors like TGF-β and platelets-derived growth factor (PDGF), vascular epithelial growth factor (VEGF), viral infections like hepatitis-B, C and D viruses (HBV, HCV & HDV), autoimmune-induced, alcohol-induced, metabolic disorder-induced, causing by apoptosis, and regulating MAPK pathways.

RNA Pol III promoters-key players in precisely targeted plant genome editing.

The clustered regularly interspaced short palindrome repeat (CRISPR)/CRISPR-associated protein Cas) system is a powerful and highly precise gene-editing tool in basic and applied research for crop improvement programs. CRISPR/Cas tool is being extensively used in plants to improve crop yield, quality, and nutritional value and make them tolerant to environmental stresses. CRISPR/Cas system consists of a Cas protein with DNA endonuclease activity and one CRISPR RNA transcript that is processed to form one or several short guide RNAs that direct Cas9 to the target DNA sequence.

Substituted Isocoumarins: An Assemble of Synthetic Strategies Towards 3-Substituted and 3,4-Disubstituted Isocoumarins.

The versatility of isocoumarin frameworks offers the privilege to access many pharmacological targets. This unique heterocycle core present in many natural products and complex organic molecules contribute to medicinal chemistry as anti-cancer, anti-inflammatory and immunomodulatory agents. The attractive properties exhibited by its analogues urged the scientists to explore their synthetic analogues.

Mushroom-Mediated Reductive Bioconversion of Aldehyde-Rich Essential Oils for Aroma Alteration: A Rose-like Floral Bioflavor from Citronella Oil.

The bioflavors are of high demand in food and beverage industries. The current study identified reductive processes mediated by mushroom species to alter the aroma of aldehyde-rich essential oils in the submerged culture. , a polypore mushroom, reduced citronellal and citral in the citronella oil into corresponding alcohols that altered the oil aroma, creating a new bioflavor.

Design, Synthesis, and Biological Evaluation of Novel Dihydropyrimidinone Derivatives as Potential Anticancer Agents and Tubulin Polymerization Inhibitors.

The severity and prevalence of cancer in modern time are a huge global health burden. Continuous efforts are being made toward the development of newer therapeutic candidates to treat and manage this ailment. The dihydropyrimidinone scaffold is one of the key nuclei that have been highly explored and investigated against cancer.