Themed collection 2020 RSC Advances HOT Article Collection
Traditional uses, chemical components and pharmacological activities of the genus Ganoderma P. Karst.: a review
In recent years, some natural products isolated from the fungus of the genus Ganoderma have been found to have anti-tumor, liver protection, anti-inflammatory, immune regulation, anti-oxidation, anti-viral, anti-hyperglycemic and anti-hyperlipidemic effects.
Photodynamic diagnosis and photodynamic therapy of colorectal cancer in vitro and in vivo
This review highlights the various photo diagnostic and treatment methods utilized for CRC, over the last seven years.
Molecular targets and anticancer activity of quinoline–chalcone hybrids: literature review
α,β-Unsaturated chalcone moieties and quinoline scaffolds play an important role in medicinal chemistry, especially in the identification and development of potential anticancer agents.
Effect of naringenin and its combination with cisplatin in cell death, proliferation and invasion of cervical cancer spheroids
The combination of naringenin–cis-platin prevents the invasion of cancer, at a lower concentration of cis-platin.
cheML.io: an online database of ML-generated molecules
Several recent ML algorithms for de novo molecule generation have been utilized to create an open-access database of virtual molecules.
1-Phenyl-N-(benzothiazol-2-yl)methanimine derivatives as Middle East respiratory syndrome coronavirus inhibitors
A series of novel 1-phenyl-N-(benzothiazol-2-yl)methanimine derivatives were synthesized and their in vitro inhibitory potencies were evaluated on MERS-S pseudovirus.
In silico identification of SARS-CoV-2 spike (S) protein–ACE2 complex inhibitors from eight Tecoma species and cultivars analyzed by LC-MS
In silico exploration of 12 Tecoma phytocompounds that could serve as potential inhibitors of SARS-CoV entry to host cells.
Folic acid-sulfonamide conjugates as antibacterial agents: design, synthesis and molecular docking studies
Dihydrofolate reductase (DHFR) inhibitors, as antibacterial agents, contain pyrimidine, pteridine, and azine moieties among many other scaffolds.
Dihydropyrimidinones: efficient one-pot green synthesis using Montmorillonite-KSF and evaluation of their cytotoxic activity
The general method for the preparation of DHPM analogs; cytotoxic activity and binding mode of the most active derivative against PI3Kγ and CDK2 targets.
Preferential N–H⋯:C hydrogen bonding involving ditopic NH-containing systems and N-heterocyclic carbenes
Non-traditional hydrogen bonds between a singlet carbene and a series of ditopic secondary amines is detailed. Both the solid- and solution-state metrics reveal the strength of these associations are dependent on the pKa of the NH-containing molecule.
Anomalous boron isotope effects on electronic structure and lattice dynamics of CuB2O4
Copper metaborate had a unique crystal structure and exhibited noteworthy magnetic phase transitions at 21 and 10 K.
Accelerating the repurposing of FDA-approved drugs against coronavirus disease-19 (COVID-19)
New computational protocol applied to a repurposing campaign against SARS-CoV-2.
Large-pore-size membranes tuned by chemically vapor deposited nanocoatings for rapid and controlled desalination
Chemical vapor modification simultaneously improved the membrane wetting resistance and permeate flux for membrane distillation. The modification enabled desalination using membranes with pore size > 1 μm and demonstrated significant flux enhancement.
Pyrazolo[1,5-a]pyrimidines-based fluorophores: a comprehensive theoretical-experimental study
A family of 7-aryl-3-methylpyrazolo[1,5-a]pyrimidines have been identified as strategic compounds for optical applications by a comprehensive theoretical-experimental study.
Engineering of zeolite BEA crystal size and morphology via seed-directed steam assisted conversion
Seeds composition is crucial for the mechanism of seeding and therefore morphological, textural and catalytic properties of BEA zeolites.
Nanocellulose enriches enantiomers in asymmetric aldol reactions
Catalytically inactive cellulose nanofibers with crystalline solid surfaces enhance highly enantioselective organocatalysis at the interface in proline-mediated aldol reactions.
Network pharmacology-based study of the mechanisms of action of anti-diabetic triterpenoids from Cyclocarya paliurus
Active ingredient screening and target prediction techniques were used to determine the components of Cyclocarya paliurus responsible for its anti-diabetic effects as well as their targets.
Deep eutectic solvent in water pickering emulsions stabilised by cellulose nanofibrils
Deep eutectic solvent in water emulsions stabilised with bio-macromolecules were stable for more than 200 days.
Hierarchical micro-/mesoporous zeolite microspheres prepared by colloidal assembly of zeolite nanoparticles
Evaporation-driven colloidal assembly of silicalite-1 nanoparticles into well-defined micro-sized spheres at low temperature and preparation times.
Design and optimization of a subunit vaccine targeting COVID-19 molecular shreds using an immunoinformatics framework
COVID-19 has been declared as a global health emergency and exposed the world to a deadly virus, which has dramatically changed the lives of humans for an unknown period of time.
Synthesis and biological activities of novel trifluoromethylpyridine amide derivatives containing sulfur moieties
Novel trifluoromethylpyridine amide derivatives containing sulfur moieties were synthesized, which exhibited good antibacterial and insecticidal activities for potential crop protection agents.
Several coumarin derivatives and their Pd(II) complexes as potential inhibitors of the main protease of SARS-CoV-2, an in silico approach
Coumarin derivatives and their Pd(II)-complexes have shown a higher binding potential towards SARS-CoV-2 Mpro than chloroquine/cinanserin along with lower toxicity.
P-stereocontrolled synthesis of oligo(nucleoside N3′→O5′ phosphoramidothioate)s – opportunities and limitations
Separated P-diastereomers of 3′-N-(2-thio-1,3,2-oxathiaphospholane) derivatives of 5′-O-DMT-3′-amino-2′,3′-dideoxy-ribonucleosides were used to prepare P-stereodefined NNPSN′ dinucleotides and short NPS-, NPS/PO- and NPS/PS-oligomers.
Mechanistic understanding of humin formation in the conversion of glucose and fructose to 5-hydroxymethylfurfural in [BMIM]Cl ionic liquid
This study provided a new mechanistic understanding of humin formation during 5-HMF production from hexose in ionic liquids.
Quinazoline-Schiff base conjugates: in silico study and ADMET predictions as multi-target inhibitors of coronavirus (SARS-CoV-2) proteins
Design of 2-phenylquinazolin-4(3H)one-trihydroxyphenyl Schiff base conjugates as COVID-19 therapy.
NaBH4 induces a high ratio of Ni3+/Ni2+ boosting OER activity of the NiFe LDH electrocatalyst
Reaction between NiFe LDH and NaBH4 induces vacancies around Fe3+ and enrichment in Ni3+, crucially activating the OER catalyst leading to high performance.
One-pot synthesis of indoles and quinolinones from ortho-tosylaminophenyl-substituted para-quinone methides
A facile one-pot synthesis has been developed through alkylation/acylation of ortho-tosylaminophenyl-substituted para-quinone methides followed by an intramolecular 1,6-conjugate addition and oxidation sequence.
Molecular crowding induces primer extension by RNA polymerase through base stacking beyond Watson–Crick rules
Primer extension by T7 RNA polymerase showed preference of monomer through base stacking beyond Watson–Crick rules under molecular crowding condition.
Pharmacoinformatics approaches to identify potential hits against tetraacyldisaccharide 4′-kinase (LpxK) of Pseudomonas aeruginosa
Homology modeling, docking, pharmacophore based VS and molecular dynamics identified potential hits against P. aeruginosa specific LpxK.
An in silico perception for newly isolated flavonoids from peach fruit as privileged avenue for a countermeasure outbreak of COVID-19
3′-Hydroxy-4′-methoxy-chroman-7-O-β-D-glucopyranoside 4, together with three known compounds, ferulic acid heptyl ester 1, naringenin 2, and 4,2′,4′-trihydroxy-6′-methoxychalcone-4′-O-β-D-glucopyranoside 3, was isolated from peach fruits.
Modular design and self-assembly of multidomain peptides towards cytocompatible supramolecular cell penetrating nanofibers
In this work, we demonstrated a facile supramolecular approach based on modularly designed multi-domain peptides to construct peptide-based nanomaterials with intrinsic cell penetrating activity and excellent cytocompatibility.
Direct access to multi-functionalized benzenes via [4 + 2] annulation of α-cyano-β-methylenones and α,β-unsaturated aldehydes
An efficient [4 + 2] benzannulation of α-cyano-β-methylenones and α,β-unsaturated aldehydes was achieved under metal-free reaction conditions selectively delivering a wide range of polyfunctional benzenes in high yields respectively (up to 94% yield).
Copper-catalyzed synthesis of α-ketoamides using water and dioxygen as the oxygen source
The reaction employing H2O and O2 as the co-oxygen source in the catalytic synthesis of α-ketoamides is described. This Cu-catalyzed reaction is carried out in a tandem manner constituted by hydroamination of alkyne, hydration of vinyl–Cu complex and subsequent oxidation.
Preparation of cationic proteoliposomes using cell-free membrane protein synthesis: the chaperoning effect of cationic liposomes
The preparation method of cationic proteoliposomes is established using a cell-free membrane protein synthesis in the presence of cationic liposomes.
Recovery of yttrium and europium from spent fluorescent lamps using pure levulinic acid and the deep eutectic solvent levulinic acid–choline chloride
Yttrium and europium are selectively recovered from spent fluorescent lamps using levulinic acid-based solvents.
Potential role of medicinal plants and their constituents in the mitigation of SARS-CoV-2: identifying related therapeutic targets using network pharmacology and molecular docking analyses
Since the outbreak of Coronavirus disease (COVID-19) caused by SARS-CoV-2 in December 2019, there has been no vaccine or specific antiviral medication for treatment of the infection where supportive care and prevention of complications is the current management strategy.
Co-cultured Lepista sordida and Pholiota nameko polysaccharide-iron(III) chelates exhibit good antioxidant activity
In the present study, the structural characteristics and antioxidant activities of polysaccharide from the co-cultured Lepista sordida and Pholiota nameko and its polysaccharide-iron(III) chelates were determined.
Label-free single-molecule identification of telomere G-quadruplexes with a solid-state nanopore sensor
Nanopore detection of single-molecule G-quadruplexes.
Remdesivir-bound and ligand-free simulations reveal the probable mechanism of inhibiting the RNA dependent RNA polymerase of severe acute respiratory syndrome coronavirus 2
Conformational changes in the remdesivir-bound RdRP leading to its inhibition.
Near-infrared and metal-free tetra(butylamino)phthalocyanine nanoparticles for dual modal cancer phototherapy
Two new HSA-involved tetra(butylamino)phthalocyanine composite nanoparticles, as highly efficient dual-phototherapy agents upon a single NIR laser irradiation, were reported.
Iodine-catalyzed efficient synthesis of xanthene/thioxanthene-indole derivatives under mild conditions
An efficient synthesis of xanthene/thioxanthene-indole derivatives has been developed through iodine-catalyzed nucleophilic substitution reaction of xanthen-9-ols and thioxanthen-9-ol with indoles.
Consensus virtual screening of dark chemical matter and food chemicals uncover potential inhibitors of SARS-CoV-2 main protease
As part of a global effort to identify drug candidates for the treatment of COVID-19, herein, we report small molecules commercially available selected from a consensus virtual screening strategy.
One-pot method for the synthesis of 1-aryl-2-aminoalkanol derivatives from the corresponding amides or nitriles
A one-pot method for β-amino alcohol synthesis based on α-hydroxylation and subsequent amide or nitrile functional group reduction has been identified and examined.
Optimizing the optical and biological properties of 6-(1H-benzimidazole)-2-naphthalenol as a fluorescent probe for the detection of thiophenols: a theoretical study
The study presents the influence of structure modulation by introduction of selected donor and acceptor substituents on the properties of 6-(1H-bezimidazole)-2(2,4-dinitrobenzenesulfonate)naphthalene used in thiophenol identification.
Gas phase methanol synthesis with Raman spectroscopy for gas composition monitoring
Applicability of Raman spectroscopy for time-resolved gas composition monitoring during direct methanol synthesis via carbon dioxide hydrogenation is investigated.
A ZnII complex of ornidazole with decreased nitro radical anions that is still highly active on Entamoeba histolytica
A monomeric complex of ZnII with ornidazole [Zn(Onz)2Cl2] decreases formation of the nitro-radical anion (R–NO2˙−), and this is realized by recording it in an enzyme assay using xanthine oxidase, which is a model nitro-reductase.
A novel artificial intelligence protocol to investigate potential leads for Parkinson's disease
Three candicates gained by a novel artificial intelligence protocol for Parkinson's disease (PD).
Directly writing flexible temperature sensor with graphene nanoribbons for disposable healthcare devices
A flexible temperature sensor is developed by directly writing or mask spraying commonly-used paper with graphene nanoribbon ink. The sensor is ultralow cost, degradable, and highly promising as a disposable device for personal healthcare.
Dust removal from a hydrophobic surface by rolling fizzy water droplets
Here, environmental dust cleaning from an inclined hydrophobic surface by rolling liquid droplets has been studied and the influence of fluid droplets on the dust removal rate has been examined.
New, inexpensive and simple 3D printable device for nephelometric and fluorimetric determination based on smartphone sensing
A new, inexpensive and easy to use 3D printable device was developed for nephelometric and fluorimetric determination.
Selective production of bio-based aromatics by aerobic oxidation of native soft wood lignin in tetrabutylammonium hydroxide
Aerobic oxidation of native soft wood lignin in an aqueous solution of Bu4NOH facilitates efficient production of vanillin (4-hydroxy-3-methoxybenzaldehyde), which is one of the platform chemicals in industry.
A gradient screening approach for retired lithium-ion batteries based on X-ray computed tomography images
Accurate and efficient screening of retired lithium-ion batteries from electric vehicles is crucial to guarantee reliable secondary applications such as in energy storage, electric bicycles, and smart grids.
Fluoxetine scaffold to design tandem molecular antioxidants and green catalysts
We modified fluoxetine by incorporating a selenium nucleus enabling a hydroperoxide-inactivating, glutathione peroxidase (GPx)-like activity and paving the way for its use as green catalyst.
A phenol phosphorescent microsensor of mesoporous molecularly imprinted polymers
Based on the optical quenching phenomenon, a smart mesoporous phosphorescent microsensor was built.
Selenium modulates cadmium-induced ultrastructural and metabolic changes in cucumber seedlings
Intensive insight into the potential mechanisms of Se-induced Cd tolerance in cucumber seedlings is essential for further improvement of vegetable crop cultivation and breeding to obtain high yields and quality in Cd-contaminated soil.
Cyclization step of noradrenaline and adrenaline autoxidation: a quantum chemical study
The quinone group protonation state determines the reaction mechanism of noradrenaline and adrenaline o-quinone cyclization.
Butein, isoliquiritigenin, and scopoletin attenuate neurodegeneration via antioxidant enzymes and SIRT1/ADAM10 signaling pathway
Neuronal cells exposed to H2O2 may undergo increase ROS, reduction in cell viability and cell death. Butein, isoliquiritigenin, and scopoletin ameliorated H2O2-induced neurotoxicity by reducing ROS, balancing antioxidants and activating SIRT1-FoxO3a-ADAM10 pathway.
Identification of novel bacterial urease inhibitors through molecular shape and structure based virtual screening approaches
The enzyme urease is an essential colonizing factor of the notorious carcinogenic pathogen Helicobacter pylori (H. pylori), conferring acid resistance to the bacterium.
Photocurrent generation by a photosystem I-NiO photocathode for a p-type biophotovoltaic tandem cell
Photosystem I-biophotovoltaics based on p-type dye-sensitized solar cells and a tandem cell was demonstrated.
A simple and cost-effective approach to fabricate tunable length polymeric microneedle patches for controllable transdermal drug delivery
A simple and cost-effective approach to fabricate tunable length polymeric microneedle patches for controllable transdermal drug delivery.
Strategic design to create HER2-targeting proteins with target-binding peptides immobilized on a fibronectin type III domain scaffold
A HER2-binding protein, HBP-FLAP, developed by peptide immobilization specifically binds to HER2 and has improved resistance to proteases.
Synthesis of highly substituted tetrahydroquinolines using ethyl cyanoacetate via aza-Michael–Michael addition
A three-component cascade reaction involving 2-alkenyl aniline, aldehydes, and ethyl cyanoacetate in the presence of DBU to synthesize highly substituted 1,2,3,4-tetrahydroquinolines is reported.
Ultrathin sulfate-intercalated NiFe-layered double hydroxide nanosheets for efficient electrocatalytic oxygen evolution
Ultrathin NiFe-LDH nanosheets with sulfate interlayer anions prepared in gram-scale via one-pot solvothermal method exhibited excellent OER activity.
Mannosylated hemagglutinin peptides bind cyanovirin-N independent of disulfide-bonds in complementary binding sites
Di-mannosylated peptides reveal mannose binding to cyanovirin-N (CV-N) low-affinity binding sites.
Understanding the mechanism of the competitive adsorption in 8-methylquinoline hydrogenation over a Ru catalyst
The stronger adsorption of 8-MQL hampers further adsorption of 4H-8-MQL, which results in the difficulty in 10H-8-MQL production.
Versatile magnetic microdiscs for the radio enhancement and mechanical disruption of glioblastoma cancer cells
First study demonstrating the use of physically engineered magnetic particles that display two functionalities for cancer treatment.
Lophiostomin A–D: new 3,4-dihydroisocoumarin derivatives from the endophytic fungus Lophiostoma sp. Sigrf10
Four new 3,4-dihydroisocoumarin congeners, named lophiostomin A–D (1–4), together with two known α-pyridones (5 and 6) were isolated from cultures of the endophytic fungus Lophiostoma sp. Sigrf10 obtained from Siraitia grosvenorii.
Exploration of production of C14 and C15 bacillomycin D homologues with enzymatic hydrolysis from maize straws using fed-batch fermentation by Bacillus subtilis NS-174
A strain with strong antifungal activity, Bacillus subtilis NS-174, was identified and the antifungal compounds were purified and structurally analyzed by high performance liquid chromatography-mass spectrometry/mass spectrometry (HPLC-MS/MS).
Ethanol-blended petroleum fuels: implications of co-solvency for phytotechnologies
Ethanol addition to diesel fuels significantly affects the leaching potentials of petroleum hydrocarbons, thereby making them inaccessible to rhizoremediation.
A novel cerium(III)–isatin Schiff base complex: spectrofluorometric and DFT studies and application as a kidney biomarker for ultrasensitive detection of human creatinine
A novel and promising Schiff base and Ce(III)-complex were synthesized and fully characterized. A novel creatinine optical biosensor based on Ce(III)-complex and could be a promising analytical tool and as a promising kidney biomarker.
About this collection
Welcome to our HOT article collection.
These articles have been selected by our reviewers and handling editors as HOT. The collection includes articles published in RSC Advances in 2020.
We hope you enjoy reading these articles and congratulations to all the authors whose articles are featured!