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The Herbal Compound Thymol Targets Multiple Typhimurium Virulence Factors for Lon Protease Degradation.

Front Pharmacol 2021 26;12:674955. Epub 2021 Aug 26.

Department of Respiratory Medicine, Key Laboratory of Organ Regeneration and Transplantation of the Ministry of Education, The First Hospital of Jilin University, Changchun, China.

Many important bacterial pathogens are using the type III secretion system to deliver effectors into host cells. Typhimurium (. Typhimurium) is a pathogenic Gram-negative bacterium with the type III secretion system as its major virulence factor. Read More

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Molecular Mechanism of Methanol Inhibition in CALB-Catalyzed Alcoholysis: Analyzing Molecular Dynamics Simulations by a Markov State Model.

J Chem Theory Comput 2021 Sep 8. Epub 2021 Sep 8.

Institute of Biochemistry and Technical Biochemistry, University of Stuttgart, Allmandring 31, 70569 Stuttgart, Germany.

Lipases are widely used enzymes that catalyze hydrolysis and alcoholysis of fatty acid esters. At high concentrations of small alcohols such as methanol or ethanol, many lipases are inhibited by the substrate. The molecular basis of the inhibition of lipase B (CALB) by methanol was investigated by unbiased molecular dynamics (MD) simulations, and the substrate binding kinetics was analyzed by Markov state models (MSMs). Read More

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September 2021

Photodegradation of roxarsone in the aquatic environment: influencing factors, mechanisms, and artificial neural network modeling.

Environ Sci Pollut Res Int 2021 Sep 4. Epub 2021 Sep 4.

School of Civil Engineering, Hefei University of Technology, Hefei, 230009, China.

Roxarsone (ROX), an organoarsenic feed additive, can be discharged into aquatic environment and photodegraded into more toxic inorganic arsenics. However, the photodegradation behavior of ROX in aquatic environment is still unclear. To better understand ROX photodegradation behavior, the influencing factors, photodegradation mechanism, and process modelling of ROX photodegradation were investigated in this study. Read More

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September 2021

A SAXS-based approach to rationally evaluate radical scavengers - toward eliminating radiation damage in solution and crystallographic studies.

J Synchrotron Radiat 2021 Sep 9;28(Pt 5):1309-1320. Epub 2021 Aug 9.

Hauptman-Woodward Medical Research Institute, 700 Ellicott St, Buffalo, NY 14203, USA.

X-ray-based techniques are a powerful tool in structural biology but the radiation-induced chemistry that results can be detrimental and may mask an accurate structural understanding. In the crystallographic case, cryocooling has been employed as a successful mitigation strategy but also has its limitations including the trapping of non-biological structural states. Crystallographic and solution studies performed at physiological temperatures can reveal otherwise hidden but relevant conformations, but are limited by their increased susceptibility to radiation damage. Read More

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September 2021

The P2X7 Receptor Stimulates IL-6 Release from Pancreatic Stellate Cells and Tocilizumab Prevents Activation of STAT3 in Pancreatic Cancer Cells.

Cells 2021 Jul 29;10(8). Epub 2021 Jul 29.

Section for Cell Biology and Physiology, Department of Biology, University of Copenhagen, 2100 Copenhagen, Denmark.

Pancreatic stellate cells (PSCs) are important pancreatic fibrogenic cells that interact with pancreatic cancer cells to promote the progression of pancreatic ductal adenocarcinoma (PDAC). In the tumor microenvironment (TME), several factors such as cytokines and nucleotides contribute to this interplay. Our aim was to investigate whether there is an interaction between IL-6 and nucleotide signaling, in particular, that mediated by the ATP-sensing P2X7 receptor (P2X7R). Read More

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Design and Analytical Performances of a Diclofenac Biosensor for Water Resources Monitoring.

ACS Sens 2021 Aug 26. Epub 2021 Aug 26.

Sorbonne Université, CNRS, Laboratoire de Réactivité de Surface (LRS), 4 place Jussieu, F-75005 Paris, France.

Because the broadly consumed pain killer diclofenac (DCF) is a recognized pollutant, monitoring of its concentration is routinely performed in surface waters. As a valuable alternative to chromatographic and immunochemical assays, we developed a piezoelectric immunosensor to quantify DCF, first in buffer (PBS) and then in river water samples. A sensing layer comprising DCF was built up on the surface of silica-coated quartz sensors using a robust coupling chemistry. Read More

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Impacts of Nitrogen Deficiency on Wheat ( L.) Grain During the Medium Filling Stage: Transcriptomic and Metabolomic Comparisons.

Front Plant Sci 2021 4;12:674433. Epub 2021 Aug 4.

Center for Crop Management and Farming System, Institute of Crop Sciences, Chinese Academy of Agricultural Sciences/Key Laboratory of Crop Physiology and Ecology, Ministry of Agriculture, Beijing, China.

Nitrogen (N) supplementation is essential to the yield and quality of bread wheat ( L.). The impact of N-deficiency on wheat at the seedling stage has been previously reported, but the impact of distinct N regimes applied at the seedling stage with continuous application on filling and maturing wheat grains is lesser known, despite the filling stage being critical for final grain yield and flour quality. Read More

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Auxin requirements for a meristematic state in roots depend on a dual brassinosteroid function.

Curr Biol 2021 Aug 17. Epub 2021 Aug 17.

Faculty of Biology, Technion-Israel Institute of Technology, Haifa 3200003, Israel. Electronic address:

Root meristem organization is maintained by an interplay between hormone signaling pathways that both interpret and determine their accumulation and distribution. The interacting hormones Brassinosteroids (BR) and auxin control the number of meristematic cells in the Arabidopsis root. BR was reported both to promote auxin signaling input and to repress auxin signaling output. Read More

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PIP-induced membrane binding of the Vinculin tail competes with its other binding partners.

Biophys J 2021 Aug 16. Epub 2021 Aug 16.

Laboratory of Applied Mechanobiology, Department of Health Sciences and Technology, ETH Zurich, 8093 Zurich, Switzerland.

Vinculin plays a key role during the first phase of focal adhesion formation and interacts with the plasma membrane through specific binding of its Tail domain to the lipid phosphatidylinositol 4,5-bisphosphate (PIP). Our understanding of the PIP-Vinculin interaction has been hampered by contradictory biochemical and structural data. Here, we used a multiscale molecular dynamics simulation approach, where unbiased coarse-grained molecular dynamics were used to generate starting structures for subsequent microsecond long all-atom simulations. Read More

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Design, synthesis, and cholinesterase inhibition assay of liquiritigenin derivatives as anti-Alzheimer's activity.

Bioorg Med Chem Lett 2021 Aug 6:128306. Epub 2021 Aug 6.

Department of Physiology and Pathophysiology, Jiaxing University Medical College, Jiaxing 314001, China. Electronic address:

The marine environment is a rich resource for discovering functional materials, and seaweed is recognized for its potential use in biology and medicine. Liquiritigenin has been isolated and identified from Sargassum pallidum. To find new anti-Alzheimer's activity, we designed and synthesized thirty-two 7-prenyloxy-2,3-dihydroflavanone derivatives (3a-3p) and 5-hydroxy-7-prenyloxy-2,3-dihydro- flavanone derivatives (4a-4p) as cholinesterases inhibitors based on liquiritigenin as the lead compound. Read More

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Yeast Nst1 is a novel component of P-bodies and is a specific suppressor of proteasome base assembly defects.

Mol Biol Cell 2021 Oct 4;32(20):ar6. Epub 2021 Aug 4.

Department of Molecular Biophysics and Biochemistry and.

Proteasome assembly utilizes multiple dedicated assembly chaperones and is regulated by signaling pathways that respond to diverse stress conditions. To discover new factors influencing proteasome base assembly, we screened a tiled high-copy yeast genomic library to identify dosage suppressors of a temperature-sensitive proteasome regulatory particle (RP) base mutant. The screen identified negative salt tolerance 1 (Nst1), a protein that when overexpressed specifically suppressed the temperature sensitivity and proteasome-assembly defects of multiple base mutants. Read More

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October 2021

Exploring how people with chronic pain understand their pain: a qualitative study.

Scand J Pain 2021 Jul 30. Epub 2021 Jul 30.

Research Department of Clinical, Educational & Health Psychology, University College London, London, UK.

Objectives: A fundamental principle of pain management is educating patients on their pain using current neuroscience. However, current pain neurophysiology education (PNE) interventions show variable success in improving pain outcomes, and may be difficult to integrate with existing understanding of pain. This study aimed to investigate how people with chronic pain understand their pain, using qualitative exploration of their conceptualisations of pain, and how this understanding accommodated, or resisted, the messages of PNE. Read More

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Inhibition of free nitrous acid and free ammonia on polyphosphate accumulating organisms: Evidence of insufficient phosphorus removal through nitritation-denitritation.

J Environ Manage 2021 Nov 27;297:113390. Epub 2021 Jul 27.

Sanitary Engineering Laboratory, Department of Water Resources and Environmental Engineering, School of Civil Engineering, National Technical University of Athens, 5 Iroon Polytechniou, Zografou, 15780, Athens, Greece.

The purpose of this study is to investigate the effect of Free Nitrous Acid (FNA) and Free Ammonia (FA) on enhanced biological phosphorus removal (EBPR) and in particular on the aerobic phosphorus uptake rate (PUR). To this end, a PAO-enriched biomass was developed at a lab-scale reactor in order to fuel a series of ex-situ batch experiments to test the effect of various nitrite or ammonium concentrations on the phosphorus uptake rate at different pH values. FNA was found to be a strong inhibitor of EBPR, in agreement with other studies with PUR being inhibited by 50 % under 1. Read More

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November 2021

Exploration of Hypoglycemic Activity of Extract and Evaluation of the Molecular Mechanisms.

Molecules 2021 Jul 12;26(14). Epub 2021 Jul 12.

Department of Food Science, National Taiwan Ocean University, Keelung 20224, Taiwan.

Although the hypoglycemic potential of brewer's yeast extract has been reported, there is limited information pertaining to the hypoglycemic ingredients of extract and their mechanisms of action available. This study aimed to investigate the in vivo and in vitro hypoglycemic effect of extract and to elucidate its molecular mechanisms. extract was mainly composed of proteins followed by carbohydrates. Read More

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Protective Effect of Polysaccharides Extracted from Fruit against Cisplatin-Induced Cytotoxicity in Macrophages and a Mouse Model.

Int J Mol Sci 2021 Jul 13;22(14). Epub 2021 Jul 13.

Department of Food Science and Technology, Kongju National University, Yesan 32439, Korea.

Although cisplatin is one of most effective chemotherapeutic drugs that is widely used to treat various types of cancer, it can cause undesirable damage in immune cells and normal tissue because of its strong cytotoxicity and non-selectivity. This study was conducted to investigate the cytoprotective effects of fruit-derived polysaccharides (CTPS) against cisplatin-induced cytotoxicity in macrophages, lung cancer cell lines, and a mouse model, and to explore the possibility of application of CTPS as a supplement for anticancer therapy. Both cisplatin alone and cisplatin with CTPS induced a significant cytotoxicity in A549 and H460 lung cancer cells, whereas cytotoxicity was suppressed by CTPS in cisplatin-treated RAW264. Read More

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Gold-Nanoparticle-Deposited TiO Nanorod/Poly(Vinylidene Fluoride) Composites with Enhanced Dielectric Performance.

Polymers (Basel) 2021 Jun 23;13(13). Epub 2021 Jun 23.

Sustainable Infrastructure Research and Development Center, Department of Civil Engineering, Faculty of Engineering, Khon Kaen University, Khon Kaen 40002, Thailand.

Flexible dielectric polymer composites have been of great interest as embedded capacitor materials in the electronic industry. However, a polymer composite has a low relative dielectric permittivity (ε' < 100), while its dielectric loss tangent is generally large (tanδ > 0.1). Read More

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Pharmacokinetics of α-amanitin in mice using liquid chromatography-high resolution mass spectrometry and drug-drug interaction potentials.

J Toxicol Environ Health A 2021 10 30;84(20):821-835. Epub 2021 Jun 30.

College of Pharmacy and BK21 Four-sponsored Advanced Program for SmartPharma Leaders, The Catholic University of Korea, Bucheon, Republic of Korea.

The aim of this study was to determine pharmacokinetics of α-amanitin, a toxic bicyclic octapeptide isolated from the poisonous mushrooms, following intravenous (iv) or oral (po) administration in mice using a newly developed and validated liquid chromatography-high resolution mass spectrometry. The iv injected α-amanitin disappeared rapidly from the plasma with high a clearance rate (26.9-30. Read More

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October 2021

Oxidative decomposition and mineralization of caffeine by advanced oxidation processes: The effect of hybridization.

Ultrason Sonochem 2021 Aug 18;76:105635. Epub 2021 Jun 18.

Institute of Environmental Sciences, Boğaziçi University, 34342 Istanbul, USA.

The study consists of a detailed investigation of the degradability of the emerging water contaminant-caffeine by homogeneous and heterogeneous Advanced Oxidation Processes (AOP's), estimation of a synergy index for each hybrid operation thereof, and proposing the most plausible reaction mechanisms that are consistent with the experimental data. It also encompasses evaluation of the effect of the water matrix represented by carbonate species and humic acids, as strong scavengers of hydroxyl radicals. The results showed that single AOP's such as sonolysis (577 kHz) and photolysis with HO provided complete caffeine elimination, but they were insufficient for the mineralization of the compound. Read More

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Impact of underground storm drain systems on larval ecology of Culex and Aedes species in urban environments of Southern California.

Sci Rep 2021 Jun 16;11(1):12667. Epub 2021 Jun 16.

Program in Public Health, University of California, Irvine, CA, 92697-4050, USA.

An extensive network of storm water conveyance systems in urban areas, often referred to as the "underground storm drain system" (USDS), serves as significant production habitats for mosquitoes. Knowledge of whether USDS habitats are suitable for newly introduced dengue vectors Aedes aegypti and Ae. albopictus will help guide surveillance and control efforts. Read More

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Herbacetin Broadly Blocks the Activities of CYP450s by Different Inhibitory Mechanisms.

Planta Med 2021 Jun 11. Epub 2021 Jun 11.

School of Pharmaceutical Sciences, Wenzhou Medical University, Wenzhou, Zhejiang, China.

Herbacetin is a bioactive flavanol compound that has various pharmacological effects. However, the pharmacokinetic characteristics have not been thoroughly investigated. Previously, we screened a natural compound library and identified herbacetin as a potent CYP blocker. Read More

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Efficacy of horse oil on lipopolysaccharide-induced inflammation in human keratinocyte.

J Tradit Chin Med 2021 Jun;41(3):355-359

Department of Biochemistry, Chung-Ang University College of Medicine.

Objective: To investigate the efficacy of horse oil on lipopolysaccharide (LPS)-induced inflammation in human keratinocytes.

Methods: Western blot analysis was performed to measure the expression of cyclooxygenase-2 (COX-2) and IκBα. ELISA was used to analyze prostaglandin E2 (PGE2) levels. Read More

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Inhibition of Lysine 63 Ubiquitination Prevents the Progression of Renal Fibrosis in Diabetic DBA/2J Mice.

Int J Mol Sci 2021 May 14;22(10). Epub 2021 May 14.

Department of Emergency and Organ Transplantation, University of Bari, 70124 Bari, Italy.

Diabetic nephropathy (DN) is the most frequent cause of end-stage renal disease. Tubulointerstitial accumulation of lysine 63 (K63)-ubiquitinated (Ub) proteins is involved in the progression of DN fibrosis and correlates with urinary miR-27b-3p downregulation. We explored the renoprotective effect of an inhibitor of K63-Ub (NSC697923), alone or in combination with the ACE-inhibitor ramipril, in vitro and in vivo. Read More

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How epigallocatechin gallate binds and assembles oligomeric forms of human alpha-synuclein.

J Biol Chem 2021 Jan-Jun;296:100788. Epub 2021 May 18.

Interdisciplinary Nanoscience Center (iNANO), Aarhus University, Aarhus C, Denmark; Department of Chemistry, Aarhus University, Aarhus C, Denmark. Electronic address:

The intrinsically disordered human protein α-synuclein (αSN) can self-associate into oligomers and amyloid fibrils. Several lines of evidence suggest that oligomeric αSN is cytotoxic, making it important to devise strategies to either prevent oligomer formation and/or inhibit the ensuing toxicity. (-)-epigallocatechin gallate (EGCG) has emerged as a molecular modulator of αSN self-assembly, as it reduces the flexibility of the C-terminal region of αSN in the oligomer and inhibits the oligomer's ability to perturb phospholipid membranes and induce cell death. Read More

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Computational study on the allosteric mechanism of IF4E-1 by 4E-interacting protein-1: Unravelling the determinants of mGTP cap recognition.

Comput Struct Biotechnol J 2021 5;19:2027-2044. Epub 2021 Apr 5.

Department of Physics, Instituto de Biociências, Letras e Ciências Exatas, Universidade Estadual Paulista Julio de Mesquita Filho, São José do Rio Preto, São Paulo, Brazil.

During their life cycle, parasites display a fine-tuned regulation of the mRNA translation through the differential expression of isoforms of eukaryotic translation initiation factor 4E (LeishIF4Es). The interaction between allosteric modulators such as 4E-interacting proteins (4E-IPs) and LeishIF4E affects the affinity of this initiation factor for the mRNA cap. Here, several computational approaches were employed to elucidate the molecular bases of the previously-reported allosteric modulation in exerted by 4E-IP1 (Lm4E-IP1) on eukaryotic translation initiation factor 4E 1 (LmIF4E-1). Read More

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Proteases inhibitors-insensitive cysteine proteases allow Nezara viridula to feed on growing seeds of field-grown soybean.

J Insect Physiol 2021 Jul 5;132:104250. Epub 2021 May 5.

Universidad de Buenos Aires, Facultad de Agronomía, Cátedra de Bioquímica, Buenos Aires, Argentina; Instituto de Investigaciones en Biociencias Agrícolas y Ambientales (INBA-CONICET), Buenos Aires, Argentina; Consejo Nacional de Investigaciones Científicas y Técnicas de Argentina, (CONICET), Buenos Aires, Argentina. Electronic address:

The southern green stink bug, Nezara viridula is one of the primary soybean pests and causes significant economic losses around the world. In spite of the high proteases inhibitor (PI) levels, N. viridula can feed on developing seeds of field-grown soybean and reduce crop yields. Read More

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Monitoring of diverse enteric pathogens across environmental and host reservoirs with TaqMan array cards and standard qPCR: a methodological comparison study.

Lancet Planet Health 2021 05;5(5):e297-e308

Department of Civil Engineering, Monash University, Clayton, VIC, Australia. Electronic address:

Background: Multiple bacteria, viruses, protists, and helminths cause enteric infections that greatly impact human health and wellbeing. These enteropathogens are transmited via several pathways through human, animal, and environmental reservoirs. Individual qPCR assays have been extensively used to detect enteropathogens within these types of samples, whereas the TaqMan array card (TAC), which allows simultaneous detection of multiple enteropathogens, has only previously been validated in human clinical samples. Read More

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Investigation of Physiological Effects Induced by Dehydroepiandrosterone in Human Endothelial Cells and Ovarian Cancer Cell Line

Turk J Pharm Sci 2021 04;18(2):185-191

Istanbul Yeni Yuzyil University Faculty of Medicine, Department of Histology and Embryology, Istanbul, Turkey

Objectives: Dehydroepiandrosterone (DHEA) is an endogenous hormone that acts as a ligand for several cellular receptors. An age-dependent decline in circulating levels of DHEA is linked to changes in various physiological functions. In gynecological clinical practice, DHEA is commonly prescribed to induce ovulation. Read More

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Sublethal effects of DBE-DBCH diastereomers on physiology, behavior, and gene expression of Daphnia magna.

Environ Pollut 2021 Sep 12;284:117091. Epub 2021 Apr 12.

The Life Science Center-Biology, School of Science and Technology, Örebro University, SE-701 82, Örebro, Sweden. Electronic address:

1,2-dibromo-4-(1,2-dibromoethyl)-cyclohexane (DBE-DBCH) is a brominated flame retardant used in commercial and industrial applications. The use of DBE-DBCH containing products has resulted in an increased release into the environment. However, limited information is available on the long-term effects of DBE-DBCH and its effects in aquatic invertebrates. Read More

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September 2021

Guiding-Strand-Controlled DNA Nucleases with Enhanced Specificity and Tunable Kinetics for DNA Mutation Detection.

Anal Chem 2021 05 26;93(18):7054-7062. Epub 2021 Apr 26.

Institute of Reproductive Health, Tongji Medical College, Huazhong University of Science and Technology, Wuhan 430030, China.

Nucleases are powerful tools in various biomedical applications, such as genetic engineering, biosensing, and molecular diagnosis. However, the commonly used nucleases (endonuclease IV, apurinic/apyrimidinic endonuclease-1, and λ exonuclease) are prone to the nonspecific cleavage of single-stranded DNA, making the desired reactions extremely low-yield and unpredictable. Herein, we have developed guiding-strand-controlled nuclease systems and constructed theoretical kinetic models to explain their mechanisms of action. Read More

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Pharmacological Inhibition of HSP90 Radiosensitizes Head and Neck Squamous Cell Carcinoma Xenograft by Inhibition of DNA Damage Repair, Nucleotide Metabolism, and Radiation-Induced Tumor Vasculogenesis.

Int J Radiat Oncol Biol Phys 2021 08 7;110(5):1295-1305. Epub 2021 Apr 7.

Radiation Biology Branch, National Cancer Institute, National Institutes of Health, Bethesda, Maryland. Electronic address:

Purpose: Recent preclinical studies suggest combining the HSP90 inhibitor AT13387 (Onalespib) with radiation (IR) against colon cancer and head and neck squamous cell carcinoma (HNSCC). These studies emphasized that AT13387 downregulates HSP90 client proteins involved in oncogenic signaling and DNA repair mechanisms as major drivers of enhanced radiosensitivity. Given the large array of client proteins HSP90 directs, we hypothesized that other key proteins or signaling pathways may be inhibited by AT13387 and contribute to enhanced radiosensitivity. Read More

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