61,086 results match your criteria number molecules


Deep blue autofluorescence reveals the instability of human transthyretin.

Int J Biol Macromol 2021 Sep 22. Epub 2021 Sep 22.

Department of Biochemistry, Molecular Biology and Biotechnology, Faculty of Chemistry, Wroclaw University of Science and Technology, Wybrzeże Wyspiańskiego 27, 50-370 Wroclaw, Poland.

Wild-type human transthyretin (TTR) is a tetrameric protein that transports thyroxine and retinol in the blood and brain. However, a number of mutations or aging leads to destabilization of the quaternary structure of TTR, which results in dissociation of TTR tetramers to monomers, followed by oligomerization and subsequent amyloid formation. TTR amyloid is a pathogenic factor underlying several diseases. Read More

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September 2021

The CTPase activity of ParB determines the size and dynamics of prokaryotic DNA partition complexes.

Mol Cell 2021 Sep 18. Epub 2021 Sep 18.

Department of Biology, University of Marburg, 35043 Marburg, Germany; Max Planck Institute for Terrestrial Microbiology, 35043 Marburg, Germany; Center for Synthetic Microbiology, 35043 Marburg, Germany. Electronic address:

ParB-like CTPases mediate the segregation of bacterial chromosomes and low-copy number plasmids. They act as DNA-sliding clamps that are loaded at parS motifs in the centromere of target DNA molecules and spread laterally to form large nucleoprotein complexes serving as docking points for the DNA segregation machinery. Here, we solve crystal structures of ParB in the pre- and post-hydrolysis state and illuminate the catalytic mechanism of nucleotide hydrolysis. Read More

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September 2021

Spider Neurotoxins as Modulators of NMDA Receptor Signaling.

Neuromolecular Med 2021 Sep 25. Epub 2021 Sep 25.

Department of Psychiatry and Psychotherapy, Clinic of Psychiatric Rehabilitation, Faculty of Medical Sciences in Katowice, Medical University of Silesia, ul. Ziolowa 45/47, 40-635, Katowice, Poland.

Molecules that selectively act on N-methyl-D-aspartate (NMDA) receptors may have a multidirectional effect by modulating the activity of NMDARs, affecting their active sites as well as by changing the composition of their subunits. The results of the clinical trials conducted so far in mood disorders and schizophrenia indicate that such agents may become new effective drugs for the treatment of these diseases. Number of spider neurotoxins e. Read More

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September 2021

Self-Assembly of a Bilayer 2D Supramolecular Organic Framework in Water.

Angew Chem Int Ed Engl 2021 Sep 25. Epub 2021 Sep 25.

Fudan University, Department of Chemistry, CHINA.

Accurate control of the layer number of orderly stacked 2D polymers has been an unsettled challenge in self-assembly. Herein we describe the fabrication of a bilayer 2D supramolecular organic framework from a monolayer 2D supramolecular organic framework in water by utilizing the multivalent coordination of a rod-like bipyridine ligands to zinc porphyrin subunits of the monolayer network. The monolayer supramolecular framework is prepared from the co-assembly of an octacationic zinc porphyrin monomer and cucurbit[8]uril (CB[8]) in water through CB[8]-encapsulation-promoted dimerization of 4-phenylpyridiunium subunits that the zinc porphyrin monomer bear. Read More

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September 2021

Natural products inducing nucleolar stress: implications in cancer therapy.

Anticancer Drugs 2021 Sep 22. Epub 2021 Sep 22.

Key Laboratory of Translational Cancer Stem Cell Research, Hunan Normal University Department of Pathophysiology, Hunan Normal University School of Medicine, Changsha Department of Pathophysiology, Jishou University School of Medicine, Jishou, Hunan, China.

The nucleolus is the site of ribosome biogenesis and is found to play an important role in stress sensing. For over 100 years, the increase in the size and number of nucleoli has been considered as a marker of aggressive tumors. Despite this, the contribution of the nucleolus and the biologic processes mediated by it to cancer pathogenesis has been largely overlooked. Read More

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September 2021

Oncolytic adenoviruses synergistically enhance anti-PD-L1 and anti-CTLA-4 immunotherapy by modulating the tumour microenvironment in a 4T1 orthotopic mouse model.

Cancer Gene Ther 2021 Sep 24. Epub 2021 Sep 24.

Department of Experimental Haematology, Beijing Institute of Radiation Medicine, Beijing, P.R. China.

Effective therapeutic strategies for triple-negative breast cancer (TNBC) are still lacking. Clinical data suggest that a large number of TNBC patients cannot benefit from single immune checkpoint inhibitor (ICI) treatment due to the immunosuppressive tumour microenvironment (TME). Therefore, combination immunotherapy is an alternative approach to overcome this limitation. Read More

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September 2021

A review on pharmacological activities and synergistic effect of quercetin with small molecule agents.

Phytomedicine 2021 Sep 13;92:153736. Epub 2021 Sep 13.

Department of Pharmacology and Toxicology, Faculty of Pharmacy, Charles University, Heyrovskeho 1203, Hradec Kralove CZ500 05, Czech Republic. Electronic address:

Background: Quercetin is a natural flavonoid, which widely exists in nature, such as tea, coffee, apples, and onions. Numerous studies have showed that quercetin has multiple biological activities such as anti-oxidation, anti-inflammatory, and anti-aging. Hence, quercetin has a significant therapeutic effect on cancers, obesity, diabetes, and other diseases. Read More

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September 2021

Preparation of core-shell microporous organic polymer-coated silica microspheres for chromatographic separation and N-glycopeptides enrichment.

J Sep Sci 2021 Sep 24. Epub 2021 Sep 24.

Key Laboratory of Separation Science for Analytical Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences (CAS), Dalian, 116023, China.

Through a "one-pot" strategy, a layer of microporous organic polymer was coated onto the surface of monodisperse amino-functionalized silica microsphere via amino-aldehyde condensation reaction with core-shell structure. The change in chemical structure of material before and after modification was determined by Fourier-transform infrared spectroscopy and X-ray photoelectron spectroscopy. Due to existence of a large number of amino and aldehyde groups in microporous organic polymer shell, the water contact angle decreased from 56. Read More

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September 2021

Computational methods for RNA modification detection from nanopore direct RNA sequencing data.

RNA Biol 2021 Sep 24:1-10. Epub 2021 Sep 24.

Center for Genomic Science of [email protected], Fondazione Istituto Italiano di Tecnologia, Milano, Italy.

The covalent modification of RNA molecules is a pervasive feature of all classes of RNAs and has fundamental roles in the regulation of several cellular processes. Mapping the location of RNA modifications transcriptome-wide is key to unveiling their role and dynamic behaviour, but technical limitations have often hampered these efforts. Nanopore direct RNA sequencing is a third-generation sequencing technology that allows the sequencing of native RNA molecules, thus providing a direct way to detect modifications at single-molecule resolution. Read More

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September 2021

Multifunctional Thermoresponsive Microcarriers for High-Throughput Cell Culture and Enzyme-Free Cell Harvesting.

Small 2021 Sep 23:e2103192. Epub 2021 Sep 23.

Laboratory for Innovations in Micro Engineering (LiME), Department of Mechanical Engineering, University of Victoria, Victoria, V8P 5C2, Canada.

An effective treatment of human diseases using regenerative medicine and cell therapy approaches requires a large number of cells. Cultivation of cells on microcarriers is a promising approach due to the high surface-to-volume ratios that these microcarriers offer. Here, multifunctional temperature-responsive microcarriers (cytoGel) made of an interpenetrating hydrogel network composed of poly(N-isopropylacrylamide) (PNIPAM), poly(ethylene glycol) diacrylate (PEGDA), and gelatin methacryloyl (GelMA) are developed. Read More

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September 2021

Hydrogen Sulfide Is a Novel Protector of the Retinal Glycocalyx and Endothelial Permeability Barrier.

Front Cell Dev Biol 2021 7;9:724905. Epub 2021 Sep 7.

The Institute of Biomedical and Clinical Science, University of Exeter Medical School, St. Luke's Campus, University of Exeter, Exeter, United Kingdom.

Significantly reduced levels of the anti-inflammatory gaseous transmitter hydrogen sulfide (HS) are observed in diabetic patients and correlate with microvascular dysfunction. HS may protect the microvasculature by preventing loss of the endothelial glycocalyx. We tested the hypothesis that HS could prevent or treat retinal microvascular endothelial dysfunction in diabetes. Read More

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September 2021

Redox-Mediated Regulation of Mitochondrial Biogenesis, Dynamics, and Respiratory Chain Assembly in Yeast and Human Cells.

Front Cell Dev Biol 2021 7;9:720656. Epub 2021 Sep 7.

Institute of Molecular Cell and Systems Biology, College of Medical, Veterinary and Life Sciences, University of Glasgow, Glasgow, United Kingdom.

Mitochondria are double-membrane organelles that contain their own genome, the mitochondrial DNA (mtDNA), and reminiscent of its endosymbiotic origin. Mitochondria are responsible for cellular respiration via the function of the electron oxidative phosphorylation system (OXPHOS), located in the mitochondrial inner membrane and composed of the four electron transport chain (ETC) enzymes (complexes I-IV), and the ATP synthase (complex V). Even though the mtDNA encodes essential OXPHOS components, the large majority of the structural subunits and additional biogenetical factors (more than seventy proteins) are encoded in the nucleus and translated in the cytoplasm. Read More

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September 2021

Early Leukocyte Responses in Models of Healing and Non-Healing Human Infections.

Front Cell Infect Microbiol 2021 7;11:687607. Epub 2021 Sep 7.

Department of Cell Biology and Molecular Genetics, University of Maryland, College Park, MD, United States.

Early host-pathogen interactions drive the host response and shape the outcome of natural infections caused by intracellular microorganisms. These interactions involve a number of immune and non-immune cells and tissues, along with an assortment of host and pathogen-derived molecules. Our current knowledge has been predominantly derived from research on the relationships between the pathogens and the invaded host cell(s), limiting our understanding of how microbes elicit and modulate immunological responses at the organismal level. Read More

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September 2021

The Formation of Bivalents and the Control of Plant Meiotic Recombination.

Front Plant Sci 2021 7;12:717423. Epub 2021 Sep 7.

Laboratory of Cytogenomics of Meiosis, Instituto de Biotecnología, Departamento de Biología Molecular de Plantas, National Autonomous University of Mexico (UNAM), Cuernavaca, Mexico.

During the first meiotic division, the segregation of homologous chromosomes depends on the physical association of the recombined homologous DNA molecules. The physical tension due to the sites of crossing-overs (COs) is essential for the meiotic spindle to segregate the connected homologous chromosomes to the opposite poles of the cell. This equilibrated partition of homologous chromosomes allows the first meiotic reductional division. Read More

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September 2021

Molecular Insights Into Neutrophil Biology From the Zebrafish Perspective: Lessons From CD18 Deficiency.

Front Immunol 2021 7;12:677994. Epub 2021 Sep 7.

Institute of Cardiovascular Physiology and Pathophysiology, Biomedical Center, Ludwig-Maximilians-Universität München, Planegg-Martinsried, Germany.

Neutrophils are key players in innate immunity and originate from the bone marrow of the adult mammalian organism. In mammals, mature neutrophils are released from the bone marrow into the peripheral blood where they circulate until their recruitment to sites of inflammation in a multistep adhesion cascade. Here, adhesion molecules of the β integrin family (CD11/CD18) are critically required for the initial neutrophil adhesion to the inflamed endothelium and several post-adhesion steps allowing their extravasation into the inflamed tissue. Read More

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September 2021

Chemistrees: Data-Driven Identification of Reaction Pathways Machine Learning.

J Chem Theory Comput 2021 Sep 24. Epub 2021 Sep 24.

Department of Informatics, UiO, Gaustadalléen 23B, 0373 Oslo, Norway.

We propose to analyze molecular dynamics (MD) output a supervised machine learning (ML) algorithm, the decision tree. The approach aims to identify the predominant geometric features which correlate with trajectories that transition between two arbitrarily defined states. The data-driven algorithm aims to identify these features without the bias of human "chemical intuition". Read More

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September 2021

Synergistic cytotoxicity of dual PI3K/mTOR and FLT3 inhibition in FLT3-ITD AML cells.

Adv Biol Regul 2021 Sep 17;82:100830. Epub 2021 Sep 17.

Cellular Signaling Unit, Section of Human Morphology, Department of Biomedical, Metabolic and Neural Sciences, University of Modena and Reggio Emilia, Modena, 41125, Italy. Electronic address:

Acute myeloid leukemia (AML) is an aggressive hematopoietic malignancy, characterized by a heterogeneous genetic landscape and complex clonal evolution, with poor outcomes. Mutation at the internal tandem duplication of FLT3 (FLT3-ITD) is one of the most common somatic alterations in AML, associated with high relapse rates and poor survival due to the constitutive activation of the FLT3 receptor tyrosine kinase and its downstream effectors, such as PI3K signaling. Thus, aberrantly activated FLT3-kinase is regarded as an attractive target for therapy for this AML subtype, and a number of small molecule inhibitors of this kinase have been identified, some of which are approved for clinical practice. Read More

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September 2021

Synthesis and fluorescence properties of red-to-near-infrared-emitting push-pull dyes based on benzodioxazole scaffolds.

J Mater Chem B 2021 Sep 23. Epub 2021 Sep 23.

Department of Chemistry and COSDAF (Centre of super-Diamond and Advanced Films), City University of Hong Kong, 83 Tat Chee Avenue, Kowloon, Hong Kong, China.

Fluorescence imaging with high temporal and spatial resolution has emerged as one of the most promising techniques to monitor biomolecules and biological processes in living systems. Among many kinds of small molecular fluorescent dyes, 2,1,3-benzoxadiazole (BD) derivatives have been widely applied in many chemical and biological applications due to their excellent photophysical properties. However, only a limited number of BD dyes with long emission wavelengths were reported. Read More

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September 2021

Defect-Rich Hierarchical Porous UiO-66(Zr) for Tunable Phosphate Removal.

Environ Sci Technol 2021 Sep 23. Epub 2021 Sep 23.

Beijing Key Laboratory of Functional Materials for Building Structure and Environment Remediation, Beijing University of Civil Engineering and Architecture, Beijing 100044, China.

The introduction of defects into hierarchical porous metal-organic frameworks (HP-MOFs) is of vital significance to boost their adsorption performance. Herein, an advanced template-assisted strategy has been developed to fine-tune the phosphate adsorption performance of HP-MOFs by dictating the type and number of defects in HP-UiO-66(Zr). To achieve this, monocarboxylic acids of varying chain lengths have been employed as template molecules to fabricate an array of defect-rich HP-UiO-66(Zr) derivatives following removal of the template. Read More

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September 2021

Synthesis of a Tridecasaccharide Lipooligosaccharide Antigen from the Opportunistic Pathogen Mycobacterium kansasii.

Angew Chem Int Ed Engl 2021 Sep 23. Epub 2021 Sep 23.

University of Alberta, Chemistry, CANADA.

The outer surfaces of mycobacteria, including the organism that causes tuberculosis, are decorated with an array of immunomodulatory glycans. Among these are lipooligosaccharides (LOS), a class of molecules for which the function remains poorly understood. We describe the chemical synthesis of the glycan portion of a tridecasaccharide LOS (2) from the opportunistic pathogen Mycobacterium kansasii. Read More

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September 2021

Fate of a Deep Eutectic Solvent upon Cosolvent Addition: Choline Chloride-Sesamol 1:3 Mixtures with Methanol.

ACS Sustain Chem Eng 2021 Sep 2;9(36):12252-12261. Epub 2021 Sep 2.

Department of Chemistry, University of Rome "La Sapienza", P.le A. Moro 5, 00185 Rome, Italy.

The changes upon methanol (MeOH) addition in the structural arrangement of the highly eco-friendly deep eutectic solvent (DES) formed by choline chloride (ChCl) and sesamol in 1:3 molar ratio have been studied by means of attenuated total reflection Fourier transform infrared spectroscopy, small- and wide-angle X-ray scattering (SWAXS), and molecular dynamics simulations. The introduction of MeOH into the DES promotes the increase of the number of Cl-MeOH hydrogen bonds (HBs) through the replacement of sesamol and choline molecules from the chloride anion coordination sphere. This effect does not promote the sesamol-sesamol, choline-choline, and sesamol-choline interactions, which remain as negligible as in the pure DES. Read More

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September 2021

Natural Compounds With Antimicrobial and Antiviral Effect and Nanocarriers Used for Their Transportation.

Front Pharmacol 2021 6;12:723233. Epub 2021 Sep 6.

Victor Babes National Institute of Pathology, Biochemistry-Proteomics Department, Bucharest, Romania.

Due to the increasing prevalence of life-threatening bacterial, fungal and viral infections and the ability of these human pathogens to develop resistance to current treatment strategies, there is a great need to find and develop new compunds to combat them. These molecules must have low toxicity, specific activity and high bioavailability. The most suitable compounds for this task are usually derived from natural sources (animal, plant or even microbial). Read More

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September 2021

Branched Methoxydiphenylamine-Substituted Carbazole Derivatives for Efficient Perovskite Solar Cells: Bigger Is Not Always Better.

Chem Mater 2021 Sep 19;33(17):7017-7027. Epub 2021 Aug 19.

Group for Molecular Engineering of Functional Material, Institute of Chemical Sciences and Engineering, École Polytechnique Fédérale de Lausanne, CH-1951 Sion, Switzerland.

A set of novel branched molecules bearing a different number of 3,6-bis(4,4'-dimethoxydiphenylamino)carbazole-based (Cz-OMeDPA) periphery arms linked together by aliphatic chains have been developed, and their performance has been tested in perovskite solar cells (PSCs). Electrical and photovoltaic properties have been evaluated with respect to the number of Cz-OMeDPA moieties and the nature of the linking aliphatic chain. The isolated compounds possess sufficient thermal stability and are amorphous having high glass-transition temperatures (>120 °C) minimizing the risk of direct layer crystallization. Read More

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September 2021

miR-21 regulates ischemic neuronal injury via the p53/Bcl-2/Bax signaling pathway.

Aging (Albany NY) 2021 Sep 22;13(undefined). Epub 2021 Sep 22.

Department of Pathology, Renmin Hospital of Wuhan University, Wuhan 430060, Hubei, P.R. China.

Focal cerebral ischemia leads to a large number of neuronal apoptosis, and secondary neuronal death is the main cause of cerebral infarction. MicroRNA-21 (miR-21) has been shown to be a strong anti-apoptosis and pro-survival factor in ischemia. However, the precise mechanism of miR-21 in ischemic neuroprotection remains largely unknown. Read More

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September 2021

A method for calculating the nonequilibrium entropy of a flowing polymer melt via atomistic simulation.

J Chem Phys 2021 Sep;155(11):111101

Materials Research and Innovation Laboratory, Department of Chemical and Biomolecular Engineering, University of Tennessee, Knoxville, Tennessee 37996, USA.

Nonequilibrium thermodynamics as applied to polymeric liquids is limited by the inability to quantify the configurational entropy. There is no known experimental method to determine it rigorously. Theoretically, entropy is based entirely on the configurational microstate of the material, but for polymer liquids, the number of available configurations is immense and covers long length scales associated with the chain-like nature of the constituent molecules. Read More

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September 2021

Spin-free formulation of the multireference driven similarity renormalization group: A benchmark study of first-row diatomic molecules and spin-crossover energetics.

J Chem Phys 2021 Sep;155(11):114111

Department of Chemistry and Cherry Emerson Center for Scientific Computation, Emory University, Atlanta, Georgia 30322, USA.

We report a spin-free formulation of the multireference (MR) driven similarity renormalization group (DSRG) based on the ensemble normal ordering of Mukherjee and Kutzelnigg [J. Chem. Phys. Read More

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September 2021

Protein self-entanglement modulates successful folding to the native state: A multi-scale modeling study.

J Chem Phys 2021 Sep;155(11):115101

Department of Physics, University of Trento, Trento, Italy and INFN-TIFPA, Trento Institute for Fundamental Physics and Applications, Trento, Italy.

The computer-aided investigation of protein folding has greatly benefited from coarse-grained models, that is, simplified representations at a resolution level lower than atomistic, providing access to qualitative and quantitative details of the folding process that would be hardly attainable, via all-atom descriptions, for medium to long molecules. Nonetheless, the effectiveness of low-resolution models is itself hampered by the presence, in a small but significant number of proteins, of nontrivial topological self-entanglements. Features such as native state knots or slipknots introduce conformational bottlenecks, affecting the probability to fold into the correct conformation; this limitation is particularly severe in the context of coarse-grained models. Read More

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September 2021

CSCD2: an integrated interactional database of cancer-specific circular RNAs.

Nucleic Acids Res 2021 Sep 22. Epub 2021 Sep 22.

School of Basic Medical Sciences, Wuhan University, Wuhan430071, China.

The significant function of circRNAs in cancer was recognized in recent work, so a well-organized resource is required for characterizing the interactions between circRNAs and other functional molecules (such as microRNA and RNA-binding protein) in cancer. We previously developed cancer-specific circRNA database (CSCD), a comprehensive database for cancer-specific circRNAs, which is widely used in circRNA research. Here, we updated CSCD to CSCD2 (http://geneyun. Read More

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September 2021

High resolution copy number inference in cancer using short-molecule nanopore sequencing.

Nucleic Acids Res 2021 Sep 22. Epub 2021 Sep 22.

Department of Computer Science, Johns Hopkins University, Baltimore, MD, USA.

Genome copy number is an important source of genetic variation in health and disease. In cancer, Copy Number Alterations (CNAs) can be inferred from short-read sequencing data, enabling genomics-based precision oncology. Emerging Nanopore sequencing technologies offer the potential for broader clinical utility, for example in smaller hospitals, due to lower instrument cost, higher portability, and ease of use. Read More

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September 2021

Cx32 inhibits the autophagic effect of Nur77 in SH-SY5Y cells and rat brain with ischemic stroke.

Aging (Albany NY) 2021 Sep 22;13(undefined). Epub 2021 Sep 22.

State Key Laboratory of Natural Medicines, China Pharmaceutical University, Nanjing 211198, China.

The pathogenesis of cerebral ischemia-reperfusion (I/R) is complex. Cx32 expression has been reported to be up-regulated in ischemic lesions of aged human brain. Nevertheless, the function of Cx32 during cerebral I/R is poorly understood. Read More

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September 2021