22,295 results match your criteria molecules leads


Structural and biochemical studies enlighten the unspecific peroxygenase from Hypoxylon sp. EC38 as an efficient oxidative biocatalyst.

ACS Catal 2021 Sep 2;11(18):11511-11525. Epub 2021 Sep 2.

Department of Biology and Biotechnology, University of Pavia, via Ferrata 9, 27100 Pavia, Italy.

Unspecific peroxygenases (UPO) are glycosylated fungal enzymes that can selectively oxidize C-H bonds. UPOs employ hydrogen peroxide as oxygen donor and reductant. With such an easy-to-handle co-substrate and without the need of a reducing agent, UPOs are emerging as convenient oxidative biocatalysts. Read More

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September 2021

Cost-benefit analysis of calibration model maintenance strategies for process monitoring.

Anal Chim Acta 2021 Oct 27;1180:338890. Epub 2021 Jul 27.

Radboud University, Institute for Molecules and Materials, P.O. Box 9010, 6500 GL, Nijmegen, the Netherlands. Electronic address:

The long-term prediction performance of spectroscopic calibration models is a critical factor to monitor or control many production processes. Over time, new variations may emerge that deteriorate prediction performance. Therefore, models have to be maintained to retain or improve their prediction performance through time, requiring considerable resources and data. Read More

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October 2021

In-silico-library-based method enables rapid and comprehensive annotation of cardiolipins and cardiolipin oxidation products using high resolution tandem mass spectrometer.

Anal Chim Acta 2021 Oct 26;1180:338879. Epub 2021 Jul 26.

Jiangsu Key Laboratory of Pediatric Respiratory Disease, Nanjing University of Chinese Medicine, Nanjing, 210023, China. Electronic address:

Accumulated evidences suggest that cardiolipins (CLs) and cardiolipin oxidation products (oxCLs) are a class of essential molecules that play critical roles in many physiological functions. Diversity of four acyl chains leads to high structure complexity for cardiolipin species including CLs, monolysocardiolipins (MLCLs) and their oxCLs. The ability to rapidly identify CL species can be implemented by the match of mass spectrometry (MS)-based in-silico spectral database. Read More

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October 2021

Suppression of GOLM1 by EGCG through HGF/HGFR/AKT/GSK-3β/β-catenin/c-Myc signaling pathway inhibits cell migration of MDA-MB-231.

Food Chem Toxicol 2021 Sep 15:112574. Epub 2021 Sep 15.

State Key Laboratory of Bioreactor Engineering, School of Biotechnology, East China University of Science and Technology, Shanghai, 200237, China; Shanghai Collaborative Innovation Center for Biomanufacturing Technology (SCICBT), Shanghai, 200237, China. Electronic address:

Golgi Membrane Protein 1 (GOLM1) has been identified as a prime target for cancer therapy because it overexpresses in many solid tumors, increases tumor growth and metastasis and leads to unfavorable survival. Though various approaches including siRNA interference and antibody targeting have been attempted, GOLM1 has remained an un-targetable molecule because of its mainly intracellular location and the lack of domains that could possibly be interfered with by small molecules. Numerous natural anti-tumoral plant substances have been identified, while their possible function on GOLM1 has never been revealed. Read More

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September 2021

The mRNA decapping protein 2 (DCP2) is a major regulator of developmental events in Drosophila-insights from expression paradigms.

Cell Tissue Res 2021 Sep 18. Epub 2021 Sep 18.

Cytogenetics Laboratory, Department of Zoology, Institute of Science, Banaras Hindu University, Uttar Pradesh, Varanasi, 221005, India.

The Drosophila genome codes for two decapping proteins, DCP1 and DCP2, out of which DCP2 is the active decapping enzyme. The present endeavour explores the endogenous promoter firing, transcript and protein expression of DCP2 in Drosophila wherein, besides a ubiquitous expression across development, we identify an active expression paradigm during dorsal closure and a plausible moonlighting expression in the Corazonin neurons of the larval brain. We also demonstrate that the ablation of DCP2 leads to embryonic lethality and defects in vital morphogenetic processes whereas a knockdown of DCP2 in the Corazonin neurons reduces the sensitivity to ethanol in adults, thereby ascribing novel regulatory roles to DCP2. Read More

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September 2021

The tyrosine phosphatase SHP2 increases robustness and information transfer within IL-6-induced JAK/STAT signalling.

Cell Commun Signal 2021 Sep 16;19(1):94. Epub 2021 Sep 16.

Institute of Biology, Department of Systems Biology, Otto-Von-Guericke University Magdeburg, Magdeburg, Germany.

Background: Cell-to-cell heterogeneity is an inherent feature of multicellular organisms and is central in all physiological and pathophysiological processes including cellular signal transduction. The cytokine IL-6 is an essential mediator of pro- and anti-inflammatory processes. Dysregulated IL-6-induced intracellular JAK/STAT signalling is associated with severe inflammatory and proliferative diseases. Read More

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September 2021

Cell-specific gene association network construction from single-cell RNA sequence.

Cell Cycle 2021 Sep 16:1-16. Epub 2021 Sep 16.

College of Computer Science and Electronic Engineering, Hunan University, Changsha, Hunan, P.R. China.

The recent development of a high throughput single-cell RNA sequence devises the opportunity to study entire transcriptomes in the smallest detail. It also leads to the characterization of molecules and subtypes of a cell. Cancer epigenetics induced not only from individual molecules but also from the dysfunction of the system and the coupling effect of genes. Read More

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September 2021

Regulation of membrane phospholipids during the adult life of worker honey bee.

J Insect Physiol 2021 Sep 13:104310. Epub 2021 Sep 13.

School of Medicine, University of Wollongong, NSW 2522, Australia; Illawarra Health and Medical Research Institute (IHMRI), Wollongong, NSW 2522, Australia. Electronic address:

Two female castes that are genetically identical are found in honey bees: workers and queens. Adult female honey bees differ in their morphology and behaviors, but the most intriguing difference between the castes is the difference in their longevity. Queens live for years while workers live generally for weeks. Read More

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September 2021

Poly (ADP-ribose) polymerase-1 (PARP1) as a therapeutic target in acute myeloid leukemia and myelodysplastic syndrome.

Blood Adv 2021 Sep 16. Epub 2021 Sep 16.

University of Athens, Athens, Greece.

Poly (ADP-ribose) polymerase-1 (PARP1) is a key mediator of various forms of DNA damage repair and plays an important role in the progression of several cancer types. The enzyme is activated by binding to DNA single-strand and double-strand breaks. Its contribution to chromatin remodeling makes PARP1 crucial for gene expression regulation. Read More

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September 2021

Psoriatic Arthritis and Metabolic Syndrome: Is There a Role for Disease Modifying Anti-Rheumatic Drugs?

Front Med (Lausanne) 2021 30;8:735150. Epub 2021 Aug 30.

Department of Functional Biology, Immunology Area, Faculty of Medicine, University of Oviedo, Oviedo, Spain.

Although psoriatic arthritis (PsA) primarily leads to joint and skin damage, it is associated with higher prevalence of metabolic syndrome (MetS) and its components, namely hypertension, dyslipidemia, obesity, and type II diabetes. Additionally, chronic inflammation is known to aggravate these cardiometabolic factors, thus explaining the enhanced cardiovascular (CV) morbidity and mortality in RA. Furthermore, emerging evidence suggest that some risk factors can fuel inflammation, thus pointing to a bidirectional crosstalk between inflammation and cardiometabolic factors. Read More

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Directed assembly of layered perovskite heterostructures as single crystals.

Nature 2021 Sep 15;597(7876):355-359. Epub 2021 Sep 15.

Department of Chemistry, Stanford University, Stanford, CA, USA.

The precise stacking of different two-dimensional (2D) structures such as graphene and MoS has reinvigorated the field of 2D materials, revealing exotic phenomena at their interfaces. These unique interfaces are typically constructed using mechanical or deposition-based methods to build a heterostructure one monolayer at a time. By contrast, self-assembly is a scalable technique, where complex materials can selectively form in solution. Read More

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September 2021

Entropic Stabilization of Water at Graphitic Interfaces.

J Phys Chem Lett 2021 Sep 15:9162-9168. Epub 2021 Sep 15.

Materials and Process Simulation Center, California Institute of Technology, Pasadena, California 91125, United States.

The thermodynamic stability of water next to graphitic surfaces is of fundamental interest, as it underlies several natural phenomena and important industrial processes. It is commonly assumed that water wets graphite more than graphene due to increased, favorable van der Waals interactions between the interfacial water molecules with multiple carbon sheets. Here, we employed extensive computer simulations and analysis of the molecular correlation functions to show that the interfacial water thermodynamics is in fact dominated by surface entropy. Read More

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September 2021

Dual-Modality Poly-l-histidine Nanoparticles to Deliver Peptide Nucleic Acids and Paclitaxel for In Vivo Cancer Therapy.

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

Department of Pharmaceutical Sciences, University of Connecticut, Storrs, Connecticut 06269, United States.

Cationic polymeric nanoformulations have been explored to increase the transfection efficiency of small molecules and nucleic acid-based drugs. However, an excessive positive charge density often leads to severe cell and tissue-based toxicity that restricts the clinical translation of cationic polymeric nanoformulations. Herein, we investigate a series of cationic poly(lactic--glycolic acid) (PLGA)-histidine-based nanoformulations for enhanced cytoplasmic delivery with minimal toxicity. Read More

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September 2021

Real-time dynamics and structures of supported subnanometer catalysts via multiscale simulations.

Nat Commun 2021 Sep 14;12(1):5430. Epub 2021 Sep 14.

Department of Chemical and Biomolecular Engineering, 150 Academy St., University of Delaware, Newark, Delaware, DE, 19716, United States.

Understanding the performance of subnanometer catalysts and how catalyst treatment and exposure to spectroscopic probe molecules change the structure requires accurate structure determination under working conditions. Experiments lack simultaneous temporal and spatial resolution and could alter the structure, and similar challenges hinder first-principles calculations from answering these questions. Here, we introduce a multiscale modeling framework to follow the evolution of subnanometer clusters at experimentally relevant time scales. Read More

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September 2021

Opioids Cause Sex-Specific Vascular Changes via Cofilin-Extracellular Signal-Regulated Kinase Signaling: Female Mice Present Higher Risk of Developing Morphine-Induced Vascular Dysfunction than Male Mice.

J Vasc Res 2021 Sep 14:1-11. Epub 2021 Sep 14.

Department of Physiology and Pharmacology, University of Toledo College of Medicine & Life Sciences, Toledo, Ohio, USA.

Recent studies have shown that chronic use of prescription or illicit opioids leads to an increased risk of cardiovascular events and pulmonary arterial hypertension. Indices of vascular age and arterial stiffness are also shown to be increased in opioid-dependent patients, with the effects being more marked in women. There are currently no studies investigating sex-specific vascular dysfunction in opioid use, and the mechanisms leading to opioid-induced vascular damage remain unknown. Read More

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September 2021

Empower C1: Combination of Electrochemistry and Biology to Convert C1 Compounds.

Adv Biochem Eng Biotechnol 2021 Sep 14. Epub 2021 Sep 14.

Technische Hochschule Mittelhessen, Institute of Bioprocess Engineering and Pharmaceutical Technology, Gießen, Germany.

The idea to somehow combine electrical current and biological systems is not new. It was subject of research as well as of science fiction literature for decades. Nowadays, in times of limited resources and the need to capture greenhouse gases like CO, this combination gains increasing interest, since it might allow to use C1 compounds and highly oxidized compounds as substrate for microbial production by "activating" them with additional electrons. Read More

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September 2021

Mechanisms of Chromosome Folding and Nuclear Organization: Their Interplay and Open Questions.

Cold Spring Harb Perspect Biol 2021 Sep 13. Epub 2021 Sep 13.

Howard Hughes Medical Institute, and Program in Systems Biology, Department of Biochemistry and Molecular Pharmacology, University of Massachusetts Medical School, Worcester, Massachusetts 01605, USA.

Microscopy and genomic approaches provide detailed descriptions of the three-dimensional folding of chromosomes and nuclear organization. The fundamental question is how activity of molecules at the nanometer scale can lead to complex and orchestrated spatial organization at the scale of chromosomes and the whole nucleus. At least three key mechanisms can bridge across scales: (1) tethering of specific loci to nuclear landmarks leads to massive reorganization of the nucleus; (2) spatial compartmentalization of chromatin, which is driven by molecular affinities, results in spatial isolation of active and inactive chromatin; and (3) loop extrusion activity of SMC (structural maintenance of chromosome) complexes can explain many features of interphase chromatin folding and underlies key phenomena during mitosis. Read More

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September 2021

STK25 and MST3 have overlapping roles to regulate Rho GTPases during cortical development.

J Neurosci 2021 Sep 13. Epub 2021 Sep 13.

Department of Cellular Pathology, Institute for Developmental Research, Aichi Developmental Disability Center, 713-8 Kamiya, Kasugai, Aichi 480-0392, Japan.

Precise control of neuronal migration is required for the laminar organization of the neocortex and critical for brain function. We previously reported that the acute disruption of the gene () during mouse embryogenesis causes anomalous neuronal migration in the neocortex, but paradoxically the cKO did not have a cortical phenotype, suggesting some forms of compensation exist. In this study, we report that MST3, another member of the GCKIII subgroup of the Ste20-like kinase family, compensates for loss of and vice versa with sex independent manner. Read More

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September 2021

Distinct Chemistries Explain Decoupling of Slip and Wettability in Atomically Smooth Aqueous Interfaces.

J Phys Chem Lett 2021 Sep 13:9060-9067. Epub 2021 Sep 13.

Department of Chemistry, University of California, Berkeley, California 94720, United States.

Despite essentially identical crystallography and equilibrium structuring of water, nanoscopic channels composed of hexagonal boron nitride and graphite exhibit an order-of-magnitude difference in fluid slip. We investigate this difference using molecular dynamics simulations, demonstrating that its origin is in the distinct chemistries of the two materials. In particular, the presence of polar bonds in hexagonal boron nitride, absent in graphite, leads to Coulombic interactions between the polar water molecules and the wall. Read More

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September 2021

Design of Large Stokes Shift Fluorescent Proteins Based on Excited State Proton Transfer of an Engineered Photobase.

J Am Chem Soc 2021 Sep 13. Epub 2021 Sep 13.

Michigan State University, Department of Chemistry, East Lansing, Michigan 48824, United States.

The incredible potential for fluorescent proteins to revolutionize biology has inspired the development of a variety of design strategies to address an equally broad range of photophysical characteristics, depending on potential applications. Of these, fluorescent proteins that simultaneously exhibit high quantum yield, red-shifted emission, and wide separation between excitation and emission wavelengths (Large Stokes Shift, LSS) are rare. The pursuit of LSS systems has led to the formation of a complex, obtained from the marriage of a rationally engineered protein (human cellular retinol binding protein II, hCRBPII) and different fluorogenic molecules, capable of supporting photobase activity. Read More

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September 2021

Discovery of potential HER2 inhibitors from for the treatment of HER2-Positive breast cancer: an integrated computational approach.

J Biomol Struct Dyn 2021 Sep 13:1-13. Epub 2021 Sep 13.

Department of Biochemistry, Adekunle Ajasin University, Akungba-Akoko, Nigeria.

Human epidermal growth factor receptor 2 (HER2) is a member of epidermal growth factor receptors with tyrosine kinase functionality. The dimerization of HER2 leads to the autophosphorylation of tyrosine residues within its cytoplasmic domain, resulting in hyperactivation of several downstream signal transduction pathways that play an important role in tumorigenesis, cancer aggressiveness and cell proliferation. Amplification or overexpression of HER2 has been found in approximately 15-30% of breast cancers. Read More

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September 2021

KAHRP dynamically relocalizes to remodeled actin junctions and associates with knob spirals in P. falciparum-infected erythrocytes.

Mol Microbiol 2021 Sep 13. Epub 2021 Sep 13.

Center of Infectious Diseases, Parasitology, Universitätsklinikum Heidelberg, Im Neuenheimer Feld 324, 69120, Heidelberg, Germany.

The knob-associated histidine-rich protein (KAHRP) plays a pivotal role in the pathophysiology of Plasmodium falciparum malaria by forming membrane protrusions in infected erythrocytes, which anchor parasite-encoded adhesins to the membrane skeleton. The resulting sequestration of parasitized erythrocytes in the microvasculature leads to severe disease. Despite KAHRP being an important virulence factor, its physical location within the membrane skeleton is still debated, as is its function in knob formation. Read More

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September 2021

Myeloid-Derived Suppressor Cells in Infection.

Front Cell Infect Microbiol 2021 27;11:737364. Epub 2021 Aug 27.

Centro de Biología Molecular Severo Ochoa, Consejo Superior de Investigaciones Científicas, Universidad Autónoma de Madrid, Cantoblanco, Madrid, Spain.

Myeloid-derived suppressor cells (MDSCs) are immature heterogeneous myeloid cells that expand in pathologic conditions as cancer, trauma, and infection. Although characterization of MDSCs is continuously revisited, the best feature is their suppressor activity. There are many markers for MDSC identification, it is distinctive that they express inducible nitric oxide synthase (iNOS) and arginase 1, which can mediate immune suppression. Read More

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Quorum sensing in 06/09/139 and its role in controlling various phenotypic traits.

PeerJ 2021 24;9:e11980. Epub 2021 Aug 24.

Norwegian Structural Biology Center and The Department of Chemistry, Faculty of Science and Technology, UiT-The Arctic University of Norway, Tromsø, Norway.

Background: Quorum Sensing (QS) is a cell-to-cell communication system that bacteria utilize to adapt to the external environment by synthesizing and responding to signalling molecules called autoinducers. The psychrotrophic bacterium 06/09/139, originally isolated from a winter ulcer of a reared Atlantic salmon, produces the autoinducer N-3-hydroxy-decanoyl-homoserine-lactone (3OHC10-HSL) and encodes the QS systems AinS/R and LuxS/PQ, and the master regulator LitR. However, the role of QS in this bacterium has not been investigated yet. Read More

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Arsenic: Various species with different effects on cytochrome P450 regulation in humans.

EXCLI J 2021 12;20:1184-1242. Epub 2021 Jul 12.

Faculty of Pharmacy and Pharmaceutical Sciences, University of Alberta, Edmonton, Alberta, Canada.

Arsenic is well-recognized as one of the most hazardous elements which is characterized by its omnipresence throughout the environment in various chemical forms. From the simple inorganic arsenite (iAs) and arsenate (iAs) molecules, a multitude of more complex organic species are biologically produced through a process of metabolic transformation with biomethylation being the core of this process. Because of their differential toxicity, speciation of arsenic-based compounds is necessary for assessing health risks posed by exposure to individual species or co-exposure to several species. Read More

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Liquid Metal Composites with Enhanced Thermal Conductivity and Stability Using Molecular Thermal Linker.

Adv Mater 2021 Sep 12:e2103104. Epub 2021 Sep 12.

Center of Hydrogen Science, School of Materials Science and Engineering, Shanghai Jiao Tong University, 800 Dong Chuan Road, Shanghai, 200240, P. R. China.

Gallium-based liquid metal (LM) composite with metallic fillers is an emerging class of thermal interface materials (TIMs), which are widely applied in electronics and power systems to improve their performance. In situ alloying between gallium and many metallic fillers like copper and silver, however, leads to a deteriorated composite stability. This paper presents an interfacial engineering approach using 3-chloropropyltriethoxysilane (CPTES) to serve as effective thermal linkers and diffusion barriers at the copper-gallium oxide interfaces in the LM matrix, achieving an enhancement in both thermal conductivity and stability of the composite. Read More

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September 2021

Extracellular vesicles as novel approaches for the treatment of osteoarthritis: a narrative review on potential mechanisms.

J Mol Histol 2021 Sep 12. Epub 2021 Sep 12.

Clinical Research & Development Unit, Akhtar Hospital, Shahid Beheshti University of Medical Sciences, Tehran, Iran.

Osteoarthritis (OA) is a progressive degeneration of articular cartilage with involvement of synovial membrane, and subchondral bone. Current treatment approaches have focused on controlling the OA symptoms, pain, and inflammation. Recently, cell-based therapies, including the application of stem cells such as mesenchymal stem cells (MSCs), have been introduced for restoration of the articular cartilage. Read More

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September 2021

Temperature dependence of the microwave dielectric properties of [Formula: see text]-aminobutyric acid.

Sci Rep 2021 Sep 10;11(1):18082. Epub 2021 Sep 10.

Department of Physics, University of Oslo, Sem Sælands vei 24, 0371, Oslo, Norway.

The GABA molecule is the major inhibitory neurotransmitter in the mammalian central nervous system. Through binding to post-synaptic neurons, GABA reduces the neuronal excitability by hyperpolarization. Correct binding between the GABA molecules and its receptors relies on molecular recognition. Read More

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September 2021

Targeted methylation facilitates DNA double strand breaks and enhances cancer suppression: A DNA intercalating/methylating dual-action chimera Amonafidazene.

Eur J Med Chem 2021 Aug 31;225:113811. Epub 2021 Aug 31.

Department of Chemical Sciences, Ariel University, Ariel, Israel. Electronic address:

A DNA intercalating agent Amonafide interferes with topoisomerase 2 (Topo II) activity and prevents re-ligation of DNA strands, leading to double strand breaks (DSB). If DSB repair fails, cells stop dividing and eventually die. In a search of approaches to enhance anti-cancer activities of Topo II inhibitors, we hypothesized that introduction of additional damage in proximity to the DSB may suppress DNA repair and enhance cancer cell killing. Read More

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Efficient and Recyclable Heterogeneous Catalyst Based on PdNPs Stabilized on a Green-Synthesized Graphene-like Nanomaterial: Effect of Surface Functionalization.

ACS Appl Mater Interfaces 2021 Sep 10. Epub 2021 Sep 10.

Univ Paris Est Creteil, CNRS, ICMPE, UMR 7182, 2 Rue Henri Dunant, Thiais 94320, France.

This work reports for the first time a straightforward and efficient approach to covalent surface functionalization of a sustainable graphene-like nanomaterial with abundant carboxylic acid groups. This approach results in an efficient and robust chelatant platform for anchoring highly dispersed ultrasmall palladium particles with excellent catalytic activity in the reduction of both cationic (methylene blue, MB) and anionic (eosin-Y, Eo-Y) toxic organic dyes. The large-specific-surface-area ( = 266. Read More

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September 2021