131,860 results match your criteria catalytic activity


Electroreduction of CO2 to ethanol by electrochemically deposited Cu-lignin complexes on Ni foam electrodes.

Nanotechnology 2021 Oct 15. Epub 2021 Oct 15.

Administration, Indian Institute of Technology Delhi, Dept of Chemical Eng.,, Indian Institute of Tech Delhi, Hauz Khas, New Delhi, New Delhi, 110016, INDIA.

A low cost, non-toxic and highly selective catalyst based on a Cu-lignin molecular complex is developed for CO2 electroreduction to ethanol. Ni foam (NF), Cu-Ni foam (Cu-NF) and Cu-lignin-Ni foam (Cu-lignin-NF) were prepared by a facile and reproducible electrochemical deposition method. The electrochemical CO2 reduction activity of Cu-lignin-NF was found to be higher than Cu-NF. Read More

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October 2021

Characterization of the non-covalent interaction between the PF-07321332 inhibitor and the SARS-CoV-2 main protease.

J Mol Graph Model 2021 Oct 5;110:108042. Epub 2021 Oct 5.

Dipartimento di Chimica "Ugo Schiff", Università degli Studi di Firenze, Via della Lastruccia 3, Sesto Fiorentino I-50019, Italy. Electronic address:

We have studied the non-covalent interaction between PF-07321332 and SARS-CoV-2 main protease at the atomic level using a computational approach based on extensive molecular dynamics simulations with explicit solvent. PF-07321332, whose chemical structure has been recently disclosed, is a promising oral antiviral clinical candidate with well-established anti-SARS-CoV-2 activity in vitro. The drug, currently in phase III clinical trials in combination with ritonavir, relies on the electrophilic attack of a nitrile warhead to the catalytic cysteine of the protease. Read More

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October 2021

Phylogenetic analysis and in-depth characterization of functionally and structurally diverse CE5 cutinases.

J Biol Chem 2021 Oct 12:101302. Epub 2021 Oct 12.

Department of Biology and Biological Engineering, Division of Industrial Biotechnology, Chalmers University of Technology, SE-412 96 Gothenburg, Sweden; Wallenberg Wood Science Center, Chalmers University of Technology, Gothenburg, Sweden. Electronic address:

Cutinases are esterases that release fatty acids from the apoplastic layer in plants. As they accept bulky and hydrophobic substrates, cutinases could be used in many applications, ranging from valorization of bark-rich side streams to plastic recycling. Advancement of these applications with cutinases as biocatalysts, however, requires deeper knowledge of the enzymes' biodiversity and structure-function relationships. Read More

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October 2021

Fabrication of Cellulase Catalysts Immobilized on a Nanoscale Hybrid Polyaniline/Cationic Hydrogel Support for the Highly Efficient Catalytic Conversion of Cellulose.

ACS Appl Mater Interfaces 2021 Oct 15. Epub 2021 Oct 15.

Laboratory of Advanced Fibers, Empa, Swiss Federal Laboratories for Materials Science and Technology, Lerchenfeldstrasse 5, St. Gallen CH-9014, Switzerland.

A novel conductive nanohydrogel hybrid support was prepared by in situ polymerization of polyaniline nanorods on an electrospun cationic hydrogel of poly(ε-caprolactone) and a cationic phosphine oxide macromolecule. Subsequently, the cellulase enzyme was immobilized on the hybrid support. Field-emission scanning electron microscopy and Brunauer-Emmett-Teller analyses confirmed a mesoporous, rod-like structure with a slit-like pore geometry for the immobilized support and exhibiting a high immobilization capacity and reduced diffusion resistance of the substrate. Read More

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October 2021

Catalyst Design Principles Enabling Intermolecular Alkene-Diene [2+2] Cycloaddition and Depolymerization Reactions.

J Am Chem Soc 2021 Oct 15. Epub 2021 Oct 15.

Department of Chemistry, Princeton University, Princeton, New Jersey 08544, United States.

Aryl-substituted pyridine(diimine) iron complexes promote the catalytic [2 + 2] cycloadditions of alkenes and dienes to form vinylcyclobutanes as well as the oligomerization of butadiene to generate divinyl(oligocyclobutane), a microstructure of poly(butadiene) that is chemically recyclable. A systematic study on a series of iron butadiene complexes as well as their ruthenium congeners has provided insights into the essential features of the catalyst that promotes these cycloaddition reactions. Structural and computational studies on iron butadiene complexes identified that the structural rigidity of the tridentate pincer enables rare s-trans diene coordination. Read More

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October 2021

Synergistic Cyanamide Functionalization and Charge-Induced Activation of Nickel/Carbon Nitride for Enhanced Selective Photoreforming of Ethanol.

ACS Appl Mater Interfaces 2021 Oct 15. Epub 2021 Oct 15.

Particles and Catalysis Research Group, School of Chemical Engineering, The University of New South Wales (UNSW), Sydney, NSW 2052, Australia.

Photoreforming is a promising alternative to water splitting for H generation due to the favorable organic oxidation half-reaction and the potential to simultaneously produce solar fuel and value-added chemicals. Recently, carbon nitride has received significant attention as an inexpensive photocatalyst for the photoreforming process. However, the application of carbon nitride continues to be hampered by its poor photocatalytic performance. Read More

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October 2021

Biochemical and structural characterization of beta-carbonic anhydrase from the parasite Trichomonas vaginalis.

J Mol Med (Berl) 2021 Oct 15. Epub 2021 Oct 15.

Faculty of Medicine and Health Technology, Tampere University, Arvo Ylpön katu 34, 33520, Tampere, Finland.

Trichomonas vaginalis is a unicellular parasite and responsible for one of the most common sexually transmittable infections worldwide, trichomoniasis. Carbonic anhydrases (CAs) are enzymes found in all lifeforms and are known to play a vital role in many biochemical processes in organisms including the maintenance of acid-base homeostasis. To date, eight evolutionarily divergent but functionally convergent forms of CAs (α, β, γ, δ, ζ, η, θ, and ι) have been discovered. Read More

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October 2021

Heterogenizing a Homogeneous Nickel Catalyst Using Nanoconfined Strategy for Selective Synthesis of Mono- and 1,2-Disubstituted Benzimidazoles.

Inorg Chem 2021 Oct 15. Epub 2021 Oct 15.

Department of Sciences & Humanities, Rajiv Gandhi Institute of Petroleum Technology (RGIPT), Jais, Amethi, Uttar Pradesh 229304, India.

A homogeneous Ni-phenanthroline catalyst was successfully immobilized into the cavities of a metal-organic framework, ZIF-8. The as-synthesized heterogeneous catalyst, [email protected], represents the first MOF based catalyst that enables dehydrogenative coupling of alcohols with aromatic diamines for selective synthesis of both mono- and 1,2-disubstituted benzimidazoles. The catalyst survived under harsh basic conditions, characterized by SEM, TEM, BET, PXRD, and EDX elemental mappings. Read More

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October 2021

Post-synthetic modification of metal-organic frameworks bearing phenazine radical cations for aza-Diels-Alder reaction.

Chem Asian J 2021 Oct 15. Epub 2021 Oct 15.

East China Normal University, Department of Chemistry, 3663 N. Zhongshan Road, 200062, Shanghai, CHINA.

Metal-organic frameworks (MOFs) consisting of organic radicals are of great interest because they have exhibited unique and intriguing optical, electronic, magnetic, and chemo-catalytic properties, and thus have demonstrated great potential applications in optical, electronic, and magnetic devices, and as catalysts. However, the preparation of MOFs bearing stable organic radicals is very challenging because most organic radicals are highly reactive and difficult to incorporate into the framework of MOFs. Herein we reported a post-synthetic modification strategy to prepare a novel MOF containing phenazine radical cations, which was used as heterogeneous catalyst for aza-Diels-Alder reaction. Read More

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October 2021

Temperature-Dependent CO2 Electroreduction over Fe-N-C and Ni-N-C Single-Atom Catalysts.

Angew Chem Int Ed Engl 2021 Oct 14. Epub 2021 Oct 14.

Dalian Institute of Chemical Physics, Chinese Academy of Sciences, CHINA.

Reaction temperature is an important parameter to tune the selectivity and activity of electrochemical CO 2 reduction reaction (CO 2 RR) due to different thermodynamics of CO 2 RR and competitive hydrogen evolution reaction (HER). In this work, temperature-dependent CO 2 RR over Fe-N-C and Ni-N-C single-atom catalysts are investigated from 303 to 343 K. Increasing the reaction temperature improves and decreases CO Faradaic efficiency over Fe-N-C and Ni-N-C catalysts at high overpotentials, respectively. Read More

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October 2021

Low-loading Pt/β-MoC catalyst for ethanol dissociation. Experimental and theoretical characterization.

Phys Chem Chem Phys 2021 Oct 15. Epub 2021 Oct 15.

Departamento de Física, Universidad Nacional del Sur & IFISUR (UNS-CONICET), Av. Alem 1253, 8000 Bahía Blanca, Argentina.

The adsorption and dissociation of ethanol on Pt/β-MoC with a low noble metal loading (0.1 wt%) is studied in the context of catalytic H production from alcohols. X-ray diffraction and experimental results indicate that Pt modifies the lattice parameters of β-MoC. Read More

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October 2021

Iridium metallene oxide for acidic oxygen evolution catalysis.

Nat Commun 2021 Oct 14;12(1):6007. Epub 2021 Oct 14.

Institute of Functional Nano & Soft Materials (FUNSOM), Soochow University, 215123, Jiangsu, P. R. China.

Exploring new materials is essential in the field of material science. Especially, searching for optimal materials with utmost atomic utilization, ideal activities and desirable stability for catalytic applications requires smart design of materials' structures. Herein, we report iridium metallene oxide: 1 T phase-iridium dioxide (IrO) by a synthetic strategy combining mechanochemistry and thermal treatment in a strong alkaline medium. Read More

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October 2021

Disrupting putative N-glycosylation site N17 in lipase Lip11 of Yarrowia lipolytica yielded a catalytically efficient and thermostable variant accompanying conformational changes.

Enzyme Microb Technol 2021 Nov 24;151:109922. Epub 2021 Sep 24.

Department of Microbiology, University of Delhi South Campus, New Delhi 110021, India. Electronic address:

Lip11 gene from oleaginous yeast Yarrowia lipolytica MSR80 was recombinantly expressed in Pichia pastoris X33. Native secretion signal present in its sequence resulted in 92 % expression in comparison to α-secretion factor which resulted to 900 U/L in the extracellular broth. Catalytic triad in Lip11, like most lipases, was formed by serine, histidine, and aspartate residues. Read More

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November 2021

Cloning, expression and biochemical characterization of lignin-degrading DyP-type peroxidase from Bacillus sp. Strain BL5.

Enzyme Microb Technol 2021 Nov 16;151:109917. Epub 2021 Sep 16.

Department of Microbiology, Faculty of Biological Sciences, Quaid-i-Azam University, Islamabad, 45320, Pakistan. Electronic address:

Lignin is a major byproduct of pulp and paper industries, which is resistant to depolymerization due to its heterogeneous structure. The enzymes peroxidases can be utilized as potent bio-catalysts to degrade lignin. In the current study, an Efeb gene of 1251bp encoding DyP-type peroxidase from Bacillus sp. Read More

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November 2021

Design of a PL18 alginate lyase with flexible loops and broader entrance to enhance the activity and thermostability.

Enzyme Microb Technol 2021 Nov 9;151:109916. Epub 2021 Sep 9.

College of Biological Science and Engineering, Fuzhou University, Fuzhou, 350116, China. Electronic address:

Alginate oligosaccharides are enzymolysis products of alginate with versatile bioactivities and their industrial preparation was limited by the insufficient activity and unsatisfying thermostability of alginate lyases. The structure-function information about PL18 alginate lyases was seldom reported since which few positive mutants of PL18 alginate lyases were generated. In present study, a mutant of PL18 alginate lyase E226K was expressed intracellularly and taken as parent for further modification. Read More

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November 2021

Development of anti-breast cancer PI3K inhibitors based on 7-azaindole derivatives through scaffold hopping: Design, synthesis and in vitro biological evaluation.

Bioorg Chem 2021 Oct 6;117:105405. Epub 2021 Oct 6.

Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Department of Chemistry, Fudan University, Shanghai 200433, China. Electronic address:

Breast cancer is the cancer with the highest incidence all over the world. Phosphatidylinositol 3-kinase is an important regulator of intracellular signaling pathways, which is frequently mutated and overexpressed in majority of human breast cancers, and the inhibition of PI3K has been considered as a promising approach for the treatment of the cancer. Here, we report our design and synthesis of new 7-azaindole derivatives as PI3K inhibitors through the scaffold hopping strategy. Read More

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October 2021

Identification of Berbamine, Oxyacanthine and Rutin from Berberis asiatica as anti-SARS-CoV-2 compounds: An in silico study.

J Mol Graph Model 2021 Oct 11;109:108028. Epub 2021 Oct 11.

Computational Biology & Biotechnology Laboratory, Department of Botany, Soban Singh Jeena University, Almora, Uttarakhand, India. Electronic address:

Owing to the shortage of specific medicines, the global pandemic of COVID-19 caused by SARS-CoV-2 has been the greatest challenge for the science community. Researchers from all over the world developed some drugs which failed to completely suppress the contiguous disease. SARS-CoV-2 main protease (Mpro), an important component in viral pathogenesis, is considered as a prospective drug target to stop SARS-CoV-2 infection. Read More

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October 2021

IKKα mediates UVB-induced cell apoptosis by regulating p53 pathway activation.

Ecotoxicol Environ Saf 2021 Oct 11;227:112892. Epub 2021 Oct 11.

Beijing Institute of Basic Medical Sciences, 27 Taiping Road, Beijing 100850, China; Anhui Medical University, 81 Meishan Road, Hefei 230032, China; College of Life Science, Henan Normal University, 46 Jianshe Road, Xinxiang 473007, China; School of Pharmacy, Jiamusi University, Jiamusi, Heilongjiang 154007, China. Electronic address:

Exposure to ultraviolet B (UVB) has been demonstrated to induce DNA damage as well as angiogenesis-related photo-damages, which are implicated in a variety of medical problems, including sunburn, photo-aging and skin cancers. However, the molecular mechanism related to UVB-induced photo-injuries remained fully elucidated. Here we revealed that one of the catalytic subunits of the IKK complex, IKKα, played a critical role in mediating UVB-induced apoptotic responses in two kinds of UVB sensitive cells, human keratinocyte (HaCat) and mouse embryonic fibroblasts (MEFs). Read More

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October 2021

Site-directed mutagenesis (P61G) of copper, zinc superoxide dismutase enhances its kinetic properties and tolerance to inactivation by HO.

Plant Physiol Biochem 2021 Sep 30;168:221-229. Epub 2021 Sep 30.

Biotechnology Division, CSIR-IHBT, Palampur, HP, 176061, India. Electronic address:

Superoxide dismutases (SODs) protect the cells by catalyzing the dismutation of harmful superoxide radicals (O) into molecular oxygen (O) and hydrogen peroxide (HO). Here, a Cu, Zn SOD (WT) from a high altitude plant (Potentilla atrosanguinea) was engineered by substituting a conserved residue proline to glycine at position 61 (P61G). The computational analysis showed higher structural flexibility and clusters in P61G than WT. Read More

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September 2021

Identifying the negative cooperation between major inhibitors of cellulase activity and minimizing their inhibitory potential during hydrolysis of acid-pretreated corn stover.

Bioresour Technol 2021 Oct 11;343:126113. Epub 2021 Oct 11.

College of Food Science and Pharmaceutical Engineering, Zaozhuang University, Zaozhuang 277160, China.

Soluble compounds produced during the enzymatic hydrolysis of lignocelluloses hampers cellulose conversion. Cellobiose and vanillin most severely inhibited the effect of cellobiohydrolase I. A concentration-dependent negative cooperative effect was found between cellobiose and vanillin. Read More

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October 2021

Waste Ox bone based heterogeneous catalyst synthesis, characterization, utilization and reaction kinetics of biodiesel generation from Jatropha curcas oil.

Chemosphere 2021 Oct 11:132534. Epub 2021 Oct 11.

Department of Botany, Government Arts College (Autonomous), Salem, 636 007, Tamil Nadu, India. Electronic address:

The present investigation has been carried out to utilize waste animal (Ox) bone for the progress of an innovative, low-budget, pollution free, and extremely resourceful heterogeneous catalyst synthesis for Jatropha curcas oil (JCO) conversion into biodiesel. The heterogeneous catalyst synthesized was characterized by its basic strength and subjected to spectroscopic (Fourier transform, infrared and X-ray diffraction) and thermogravimetric analyses. Also, the physical properties of produced biodiesel were studied. Read More

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October 2021

Synthesis and Structural Characterization of Ricin Inhibitors Targeting Ribosome Binding Using Fragment-Based Methods and Structure-Based Design.

J Med Chem 2021 Oct 14. Epub 2021 Oct 14.

Department of Plant Biology, Rutgers, The State University of New Jersey, 59 Dudley Road, New Brunswick, New Jersey 08901, United States.

Ricin toxin A subunit (RTA) is the catalytic subunit of ricin, which depurinates an adenine from the sarcin/ricin loop in eukaryotic ribosomes. There are no approved inhibitors against ricin. We used a new strategy to disrupt RTA-ribosome interactions by fragment screening using surface plasmon resonance. Read More

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October 2021

An Efficient Metal-Organic Framework - Derived Nickel Catalyst for the Light Driven Methanation of CO2.

Angew Chem Int Ed Engl 2021 Oct 14. Epub 2021 Oct 14.

King Abdullah University of Science and Technology, Kaust Catalysis Center, Bldg.3, Level 4, Room 4235, 23955-6900, Thuwal, SAUDI ARABIA.

We report the synthesis of a highly active and stable metal-organic framework derived Ni-based catalyst for the photo-thermal reduction of CO 2 to CH 4 . Through the controlled pyrolysis of MOF-74 (Ni), the nature of the carbonaceous species and therefore photo-thermal performance can be tuned. CH 4 production rates of 488 mmol g -1 h -1 under UV-visible-IR irradiation are achieved when the catalyst is prepared under optimized conditions. Read More

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October 2021

PROTEOMIC ANALYSIS OF TAENIA SOLIUM CYST FLUID BY SHOTGUN LC-MS/MS.

J Parasitol 2021 Sep;107(5):799-809

College of Animal Science and Technology, Inner Mongolia University for Nationalities, Inner Mongolia Tongliao 028042, China.

Taenia solium cysts were collected from pig skeletal muscle and analyzed via a shotgun proteomic approach to identify known proteins in the cyst fluid and to explore host-parasite interactions. Cyst fluid was aseptically collected and analyzed with shotgun liquid chromatography-tandem mass spectrometry (LC-MS/MS). Gene alignment and annotation were performed using Blast2GO software followed by gene ontology analysis of the annotated proteins. Read More

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September 2021

Structure-Activity Relationship of USP5 Inhibitors.

J Med Chem 2021 Oct 14. Epub 2021 Oct 14.

Structural Genomics Consortium, University of Toronto, 101 College Street, MaRS South Tower, Suite 700, Toronto, Ontario M5G 1L7, Canada.

USP5 is a deubiquitinase that has been implicated in a range of diseases, including cancer, but no USP5-targeting chemical probe has been reported to date. Here, we present the progression of a chemical series that occupies the C-terminal ubiquitin-binding site of a poorly characterized zinc-finger ubiquitin binding domain (ZnF-UBD) of USP5 and competitively inhibits the catalytic activity of the enzyme. Exploration of the structure-activity relationship, complemented with crystallographic characterization of the ZnF-UBD bound to multiple ligands, led to the identification of , which binds to the USP5 ZnF-UBD with a of 2. Read More

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October 2021

Nickel Boride / Boron Carbide Particles Embedded in Boron-Doped Phenolic Resin Derived Carbon Coating on Nickel Foam for Oxygen Evolution Catalysis in Water and Seawater Splitting.

ChemSusChem 2021 Oct 14. Epub 2021 Oct 14.

Yanshan University, College of Materials Science and Engineering, Hebei Street 438, 066004, Qinghuangdao, CHINA.

Electrolysis of seawater can be a promising technology, but chloride ions in seawater can lead to adverse side reactions and the corrosion of electrodes. A new transition metal boride-based self-supported electrocatalyst has been prepared for efficient seawater electrolysis by directly soaking nickel foam (NF) in a mixture of phenolic resin (PR) and boron carbide (B4C), followed by an 800 ℃ annealing. During PR carbonization process, the reaction of B4C and NF generates nickel boride (NixB) with high catalytic activity, while PR-derived carbon coating is doped with boron atoms from B4C (B-CPR). Read More

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October 2021

The catalytic reaction mechanism of tyrosylprotein sulfotransferase-1.

Phys Chem Chem Phys 2021 Oct 14. Epub 2021 Oct 14.

National Center for Biomolecular Research (NCBR), Faculty of Science, Masaryk University, Brno, Czech Republic.

Tyrosine sulfation alters the biological activity of many proteins involved in different physiological and pathophysiological conditions, such as non-specific immune reaction, response to inflammation and ischemia, targeting of leukocytes and stem cells, or the formation of cancer metastases. Tyrosine sulfation is catalyzed by the enzymes tyrosylprotein sulfotransferases (TPST). In this study, we used QM/MM Car-Parrinello metadynamics simulations together with QM/MM potential energy calculations to investigate the catalytic mechanism of isoform TPST-1. Read More

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October 2021

Synthesis, characterization, antimicrobial and antibiofilm activity, and molecular docking analysis of NHC precursors and their Ag-NHC complexes.

Dalton Trans 2021 Oct 14. Epub 2021 Oct 14.

Department of Chemistry, Faculty of Science and Art, İnönü University, 44280 Malatya, Turkey.

Microorganisms attach to surfaces and interfaces and form biofilms which create a sheltered area for host cell response. Therefore, biofilms provide troubles in fields such as medicine, food, and pharmaceuticals. Inhibition of formation of biofilms through hindering of quorum sensing could be a method for the production of new generation antibiotics. Read More

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October 2021

Active Site Engineering in [email protected]/Graphene Heterostructures Enabling Enhanced Hydrogen Evolution.

Inorg Chem 2021 Oct 14. Epub 2021 Oct 14.

Institute of Advanced Materials (IAM), College of Chemistry and Chemical Engineering, Jiangxi Normal University, Nanchang 330022, People's Republic of China.

As the core of an electrocatalyst, the active site is critical to determine its catalytic performance in the hydrogen evolution reaction (HER). In this work, porous N-doped carbon-encapsulated CoP nanoparticles on both sides of graphene ([email protected]/GR) are derived from a bimetallic metal-organic framework (MOF)@graphene oxide composite. Through active site engineering by tailoring the environment around CoP and engineering the structure, the HER activity of [email protected]/GR heterostructures is significantly enhanced. Read More

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October 2021

Computational and in vitro experimental analyses of the anti-COVID-19 potential of Mortaparib and MortaparibPlus.

Biosci Rep 2021 10;41(10)

AIST-India DAILAB, DBT-AIST International Center for Translational and Environmental Research (DAICENTER), National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba 3058565, Japan.

Coronavirus disease 2019 (COVID-19) pandemic caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) virus has become a global health emergency. Although new vaccines have been generated and being implicated, discovery and application of novel preventive and control measures are warranted. We aimed to identify compounds that may possess the potential to either block the entry of virus to host cells or attenuate its replication upon infection. Read More

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October 2021