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"SiRC": Machine Learning Combined with Molecular Fingerprints to Predict the Reaction Rate Constant of the Radical-Based Oxidation Processes of Aqueous Organic Contaminants.

Environ Sci Technol 2021 Sep 2. Epub 2021 Sep 2.

Instituto de Química, Universidade de Brasília, Caixa Postal 4478, Brasília 70904-970, Brazil.

We developed a web application structured in a machine learning and molecular fingerprint algorithm for the automatic calculation of the reaction rate constant of the oxidative processes of organic pollutants by OH and SO radicals in the aqueous phase-the SiRC platform. The model development followed the OECD principles: internal and external validation, applicability domain, and mechanistic interpretation. Three machine learning algorithms combined with molecular fingerprints were evaluated, and all the models resulted in high goodness-of-fit for the training set with > 0. Read More

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September 2021

Selective Oxidation of Belt[4]arene[4]tropilidene and Its Application to Construct Hydrocarbon Belts of Truncated Cone Structure with Expand Cavity.

Org Lett 2021 Sep 2;23(18):7259-7263. Epub 2021 Sep 2.

Key Laboratory of Bioorganic Phosphorus Chemistry and Chemical Biology (MOE), Department of Chemistry, Tsinghua University, Beijing 100084, China.

Despite their unique structures, tantalizing properties, and potential applications in carbon nanoscience and technology, the synthesis and functionalization of zigzag hydrocarbon nanobelts have remained largely unexplored until recently. Reported herein is the selective transformations of belt[4]arene[4]tropilidenes and their application in the construction of novel belts. The oxidation of belt[4]arene[4]tropilidene with benzeneseleninic anhydride under controlled conditions selectively afforded mono- to tetrakis(α-diketone)-functionalized belt intermediates. Read More

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September 2021

Low-impedance high-power pulsed generator based on forming line with built-in Tesla transformer.

Rev Sci Instrum 2021 Aug;92(8):084705

College of Advanced Interdisciplinary Studies, National University of Defense Technology, Changsha 410073, China.

In order to meet the application needs of gyromagnetic nonlinear transmission lines, a pulsed power generator is required to output short duration pulses with a fast rising edge in high repetitive-rate mode. In this paper, a low-impedance high-power pulsed generator based on the forming line with a built-in Tesla transformer is explored and developed. The generator includes a 14 Ω coaxial forming line, a SF/N gas switch, and a resistive dummy load, which can steadily operate in 100 Hz mode and suits the needs above. Read More

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Software-based Detection of Acute Rejection Changes in Face Transplant.

J Reconstr Microsurg 2021 Sep 1. Epub 2021 Sep 1.

Department of Surgery, Division of Plastic Surgery, Brigham and Women's Hospital, Harvard Medical School; Boston, Massachusetts.

Background:  An objective, non-invasive method for redness detection during acute allograft rejection in face transplantation (FT) is lacking.

Methods:  A retrospective cohort study was performed with 688 images of 7 patients with face transplant (range, 1 to 108 months post-transplant). Healthy controls were matched to donor age, sex, and had no prior facial procedures. Read More

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September 2021

Fe-N-C Single-Atom Catalyst Coupling with Pt Clusters Boosts Peroxidase-like Activity for Cascade-Amplified Colorimetric Immunoassay.

Anal Chem 2021 09 1;93(36):12353-12359. Epub 2021 Sep 1.

Key Laboratory of Pesticide and Chemical Biology of Ministry of Education, International Joint Research Center for Intelligent Biosensing Technology and Health, College of Chemistry, Central China Normal University, Wuhan 430079, P. R. China.

Although single-atom catalysts with high enzyme-like activities have been found, the rational design of highly active peroxidase (POD)-like nanozymes is still a formidable challenge. Herein, highly active POD-like nanozymes were synthesized through loading Pt clusters on the Fe single-atom (Fe-Pt) nanozymes. The POD-like activity of Fe-Pt nanozymes is enhanced 4. Read More

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September 2021

Electroinduced Surfactant Self-Assembly Driven to Vertical Growth of Oriented Mesoporous Films.

Alain Walcarius

Acc Chem Res 2021 Sep 1. Epub 2021 Sep 1.

Université de Lorraine, CNRS, Laboratoire de Chimie Physique et Microbiologie pour les Matériaux et l'Environnement (LCPME), 405 Rue de Vandoeuvre, F-54000 Nancy, France.

ConspectusSupramolecular soft-templating approaches to mesoporous materials have revolutionized the generation of regular nanoarchitectures exhibiting unique features such as uniform pore structure with tunable dimensions, large surface area, and high pore volume, variability of composition, and/or ease of functionalization with a wide range of organo-functional groups or good hosts for the synthesis of nano-objects. One appealing concept in this field is the development of ordered mesoporous thin films as such a configuration has proven to be essential for various applications including separation, sensing, catalysis (electro and photo), energy conversion and storage, photonics, solar cells, photo- and electrochromism, and low- dielectric coatings for microelectronics, bio and nanobio devices, or biomimetic surfaces. Supported or free-standing mesoporous films are mostly prepared by evaporation induced self-assembly methods, thanks to their good processing capability and flexibility to manufacture mesostructured oxides and organic-inorganic hybrids films with periodically organized porosity. Read More

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September 2021

Does COVID-19 count?: Defining Criterion A trauma for diagnosing PTSD during a global crisis.

Depress Anxiety 2021 09;38(9):882-885

National Center for PTSD, U.S. Department of Veterans Affairs, White River Junction, USA.

Introduction: The ongoing coronavirus disease 2019 (COVID-19) pandemic is a globally significant crisis with a rapid spread worldwide, high rates of illness and mortality, a high degree of uncertainty, and a disruption of daily life across the sociodemographic spectrum. The clinically relevant psychological consequences of this catastrophe will be long-lasting and far-reaching. There is an emerging body of empirical literature related to the mental health aspects of this pandemic and this body will likely expand exponentially. Read More

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September 2021

Self-Transcendence: Moving from Spiritual Disequilibrium to Well-Being Across the Cancer Trajectory.

Pamela G Reed

Semin Oncol Nurs 2021 Aug 28:151212. Epub 2021 Aug 28.

Professor and Interim Associate Dean for Academic Affairs, College of Nursing, University of Arizona, Tucson. Electronic address:

Objectives: To synthesize research results on self-transcendence among people affected by cancer and their caregivers to inform oncology nursing practices that promote well-being across the cancer trajectory. Self-transcendence is an inherent capacity to expand self-boundaries beyond the person's usual form to create something meaningful, whether it is a new purpose, perspective, situation, or artifact that fosters well-being.

Data Sources: Peer-reviewed, research-based publications, and peer-reviewed theoretical publications were used. Read More

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Dilute Aqueous-Aprotic Hybrid Electrolyte Enabling a Wide Electrochemical Window through Solvation Structure Engineering.

Adv Mater 2021 Aug 31:e2102390. Epub 2021 Aug 31.

Department of Materials Science and Engineering, & Center of Super-Diamond and Advanced Films, City University of Hong Kong, 83 Tat Chee Avenue, Hong Kong, China.

The application of superconcentrated aqueous electrolytes has shown great potential in developing high-voltage electrochemical double-layer capacitors (EDLCs). However, the broadening of the electrochemical window of such superconcentrated electrolytes is at the expense of their high cost, low ionic conductivity, high density, and narrow operating temperature range. Herein, the electrochemical window of water (>3 V) at low salt concentration (3 m) is expanded by using an aprotic solvent, i. Read More

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Immune normalization strategy against suboptimal health status: safe and efficacious therapy using mixed-natural killer cells.

Aging (Albany NY) 2021 Aug 30;13(16):20131-20148. Epub 2021 Aug 30.

International Research Center for Regenerative Medicine, BOAO International Hospital, Qionghai 571434, Hainan, China.

"Immune normalization" has emerged as a new paradigm in immunotherapy, which is proposed in cancer patients instead of conventional "immune-enhancement" therapy. Immune normalization may also be implemented in cancer prevention of "sub-healthy" individuals. We established cultured mixed-natural killer (NKM) cells to achieve immune normalization. Read More

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Contextual bias, the democratization of healthcare, and medical artificial intelligence in low- and middle-income countries.

Bioethics 2021 Aug 30. Epub 2021 Aug 30.

Department of Arts and Humanities, Duke Kunshan University, Kunshan, Jiangsu, China.

Medical artificial intelligence (MAI) creates an opportunity to radically expand access to healthcare across the globe by allowing us to overcome the persistent labor shortages that limit healthcare access. This democratization of healthcare is the greatest moral promise of MAI. Whatever comes of the enthusiastic discourse about the ability of MAI to improve the state-of-the-art in high-income countries (HICs), it will be far less impactful than improving the desperate state-of-the-actual in low- and middle-income countries (LMICs). Read More

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Strategies to expand peptide functionality through hybridisation with a small molecule component.

RSC Chem Biol 2021 Feb 8;2(1):151-165. Epub 2020 Dec 8.

Protein-Protein Interaction Laboratory, The Francis Crick Institute London UK

Combining different compound classes gives molecular hybrids that can offer access to novel chemical space and unique properties. Peptides provide ideal starting points for such molecular hybrids, which can be easily modified with a variety of molecular entities. The addition of small molecules can improve the potency, stability and cell permeability of therapeutically relevant peptides. Read More

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February 2021

TiO Simultaneous Enrichment, On-Line Deglycosylation, and Sequential Analysis of Glyco- and Phosphopeptides.

Front Chem 2021 11;9:703176. Epub 2021 Aug 11.

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

Reversible protein glycosylation and phosphorylation tightly modulate important cellular processes and are closely involved in pathological processes in a crosstalk dependent manner. Because of their significance and low abundances of glyco- and phosphopeptides, several strategies have been developed to simultaneously enrich and co-elute glyco- and phosphopeptides. However, the co-existence of deglycosylated peptides and phosphopeptides aggravates the mass spectrometry analysis. Read More

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Composite polarization systems for independent controlling polarization of two beams with different wavelengths.

Biomed Opt Express 2021 Jul 14;12(7):4046-4055. Epub 2021 Jun 14.

CJSC Etalon-pribor, Chelyabinsk, Russia.

The usage of independent and simultaneous control of the state of light polarization at different wavelengths can expand the capabilities of polarization methods for biomedical application. Unfortunately, all known methods of polarization conversion cannot convert the state of light polarization at different wavelengths independently. We propose a method and device for independent and simultaneous control of the polarization state at two wavelengths. Read More

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Total endovascular aortic replacement in post-dissecting thoraco-abdominal aortic aneurysm with a new inner branched device.

Ann Vasc Surg 2021 Aug 26. Epub 2021 Aug 26.

Vascular and Endovascular Surgery - Department of Emergency and Organs Transplantation, "Aldo Moro" University of Bari School of Medicine, (Bari - Italy).

To describe a new inner-branched device used to treat two cases of chronic post-dissection aortic thoraco-abdominal aneurysms (PD-TAAAs) after ascending aortic surgery. A 67-year-old male who had undergone an ascending aorta and arch surgical replacement and a 70-year-old male with a previous Bentall procedure for acute type A aortic dissection were admitted at our department with a PD-TAAA diagnosis. Both patients were defined unfit for open surgery by a multidisciplinary team and a totally percutaneous endovascular repair was planned. Read More

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Facile Synthesis of Thermoplastic Polyamide Elastomers Based on Amorphous Polyetheramine with Damping Performance.

Polymers (Basel) 2021 Aug 9;13(16). Epub 2021 Aug 9.

State Key Laboratory of Chemical Engineering, School of Chemical Engineering, East China University of Science and Technology, Shanghai 200237, China.

Novel thermoplastic polyamide elastomers (TPAEs) consisting of long-chain semicrystalline polyamide 1212 (PA1212) and amorphous polyetheramine were synthesized via one-pot melt polycondensation. The method provides accessible routes to prepare TPAEs with a high tolerance of compatibility between polyamide and polyether oligomers compared with the traditional two-step method. These TPAEs with 10 wt % to 76 wt % of soft content were obtained by reaction of dodecanedioic acid, 1,12-dodecanediamine, and poly(propylene glycol) (PPG) diamine. Read More

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High-efficiency adsorption of phenanthrene by FeO-SiO-dimethoxydiphenylsilane nanocomposite: Experimental and theoretical study.

J Hazard Mater 2021 Aug 18;422:126948. Epub 2021 Aug 18.

Institute of Modern Physics, Northwest University, Xi'an 710054, Shaanxi, China.

Phenanthrene (PHE), as one of representative polycyclic aromatic hydrocarbons (PAHs) can cause serious adverse effects on human health, developing effective adsorbents to alleviate PHE contamination is in urgent demand. A novel FeO-SiO-Dimethoxydiphenylsilane (FeO-SiO-2DMDPS) nanocomposite was fabricated from encapsulation and grafting process. Magnetic FeO nanoparticles were served as preliminary matrix material, SiO was used to link the magnetic oxide and provide hydroxyl groups for proceeding the silane coupling reaction subsequently, and the aromatic rings in DMDPS could provide active sites for PHE adsorption via π-π interaction. Read More

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A supramolecular polymeric heterojunction composed of an all-carbon conjugated polymer and fullerenes.

Chem Sci 2021 Aug 14;12(31):10506-10513. Epub 2021 Jul 14.

Hefei National Laboratory of Physical Science at the Microscale, CAS Key Laboratory of Materials for Energy Conversion, Department of Materials Science and Engineering, iChEM (Collaborative Innovation Center of Chemistry for Energy Materials), University of Science and Technology of China (USTC) 96 Jinzhai Road Hefei Anhui Province 230026 P. R. China +86-551-63606207.

Herein, we design and synthesize a novel all-carbon supramolecular polymer host () containing conjugated macrocycles interconnected by a linear poly(-phenylene) backbone. Applying the supramolecular host and fullerene C as the guest, we successfully construct a supramolecular polymeric heterojunction (⊃C). This carbon structure offers a means to explore the convex-concave π-π interactions between and C. Read More

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A guanidine-degrading enzyme controls genomic stability of ethylene-producing cyanobacteria.

Nat Commun 2021 08 26;12(1):5150. Epub 2021 Aug 26.

Biosciences Center, National Renewable Energy Laboratory, Golden, CO, USA.

Recent studies have revealed the prevalence and biological significance of guanidine metabolism in nature. However, the metabolic pathways used by microbes to degrade guanidine or mitigate its toxicity have not been widely studied. Here, via comparative proteomics and subsequent experimental validation, we demonstrate that Sll1077, previously annotated as an agmatinase enzyme in the model cyanobacterium Synechocystis sp. Read More

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Adaptive deep brain stimulation (aDBS).

Int Rev Neurobiol 2021 27;159:111-127. Epub 2021 Jul 27.

Department of Health Science, Aldo Ravelli Center, University of Milan, Milan, Italy.

Deep brain stimulation is an established technique for the treatment of movement disorders related to neurodegenerative diseases such as Parkinson's disease (PD) and essential tremor (ET). Its application seems also feasible for the treatment of neuropsychiatric disorders such as treatment resistant depression (TRD) and Tourette's syndrome (TS). In a typical deep brain stimulation system, the amount of current delivered to the patients is constant and regulated by the physician. Read More

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Chilling Requirement Validation and Physiological and Molecular Responses of the Bud Endodormancy Release in 'Meiju'.

Int J Mol Sci 2021 Aug 4;22(16). Epub 2021 Aug 4.

Genomics and Genetic Engineering Laboratory of Ornamental Plants, Institute of Landscape Architecture, Department of Horticulture, College of Agriculture and Biotechnology, Zhejiang University, Hangzhou 310058, China.

The introduction of herbaceous peony ( Pall.) in low-latitude areas is of great significance to expand the landscape application of this world-famous ornamental. With the hazards of climate warming, warm winters occurs frequently, which makes many excellent northern herbaceous peony cultivars unable to meet their chilling requirements (CR) and leads to their poor growth and flowering in southern China. Read More

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Development of Extract-Loaded Electrospun PVA/PVP Nanocomposite for Antioxidant Packaging.

Foods 2021 Jul 27;10(8). Epub 2021 Jul 27.

School of Food Science and Engineering, South China University of Technology/Guangdong Province Key Laboratory for Green Processing of Natural Products and Product Safety, Guangzhou 510640, China.

An ethyl acetate extract from of (NFE) with considerable suppression activity on lipid peroxidation (LPO) was first obtained with total phenolic and flavonoid contents and anti-LPO activity (IC) of 86.67 ± 2.5 mg GAE/g sample, 334. Read More

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Drug Repurposing, an Attractive Strategy in Pancreatic Cancer Treatment: Preclinical and Clinical Updates.

Cancers (Basel) 2021 Aug 5;13(16). Epub 2021 Aug 5.

Department of Pharmacy, G. d'Annunzio University of Chieti-Pescara, 66100 Chieti, Italy.

Pancreatic cancer (PC) is one of the deadliest malignancies worldwide, since patients rarely display symptoms until an advanced and unresectable stage of the disease. Current chemotherapy options are unsatisfactory and there is an urgent need for more effective and less toxic drugs to improve the dismal PC therapy. Repurposing of non-oncology drugs in PC treatment represents a very promising therapeutic option and different compounds are currently being considered as candidates for repurposing in the treatment of this tumor. Read More

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Preparing, conducting, and analyzing Delphi surveys: Cross-disciplinary practices, new directions, and advancements.

MethodsX 2021 28;8:101401. Epub 2021 May 28.

Chair of Leadership, WHU, Otto Beisheim School of Management, Erkrather Str. 224a, 40233 Düsseldorf, Germany.

Delphi is a scientific method to organize and structure an expert discussion aiming to generate insights on controversial topics with limited information. The technique has seen a rise in publication frequency in various disciplines, especially over the past decades. In April 2021, the term yielded 28,200 search hits in Google Scholar for the past five years alone. Read More

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Polybrominated Diphenyl Ether Quinone Exposure Induces Atherosclerosis Progression via CD36-Mediated Lipid Accumulation, NLRP3 Inflammasome Activation, and Pyroptosis.

Chem Res Toxicol 2021 Aug 24. Epub 2021 Aug 24.

Key Laboratory of Luminescence Analysis and Molecular Sensing, Ministry of Education, College of Pharmaceutical Sciences, Southwest University, 2 Tiansheng Road, Beibei District, Chongqing 400715, China.

Polybrominated diphenyl ethers (PBDEs) are used worldwide in brominated flame retardants. Although due to the forbiddance of their application, PBDEs continuously exist in the environment due to their persistence. Therefore, it is important to expand the understanding of their potential toxicities and human risks. Read More

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Application of Nanocellulose in Oilfield Chemistry.

ACS Omega 2021 Aug 9;6(32):20833-20845. Epub 2021 Aug 9.

Research Institute of Petroleum Exploration & Development, Petro China, Beijing 100083, China.

The preparation and classification of nanocellulose are briefly introduced, and the modification of nanocellulose and the application of modified nanocellulose in oilfield chemistry are reviewed. The principles and methods of surface modification, including surface adsorption, oxidation, acetylation, silanization, etherification, and polymer grafting, are summarized. Meanwhile, this paper focuses on the application of nanocellulose research progress in drilling fluid, enhanced oil recovery, and oilfield sewage treatment. Read More

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Biochar Application Mitigates the Effect of Heat Stress on Rice ( L.) by Regulating the Root-Zone Environment.

Front Plant Sci 2021 5;12:711725. Epub 2021 Aug 5.

Crop and Environment Research Center, College of Agronomy, Hunan Agricultural University, Changsha, China.

Coping with global warming by developing effective agricultural strategies is critical to global rice ( L.) production and food security. In 2020, we observed that the effect of heat stress on rice plants was mitigated by biochar application (40 g kg soil) in a pot experiment with six consecutive days (6-11 days after transplanting) of daily mean temperatures beyond the critical high temperature (33°C) for tillering in rice. Read More

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A Qualitative Approach to Understanding the Holistic Experience of Psychotherapy Among Clients.

Front Psychol 2021 6;12:667303. Epub 2021 Aug 6.

Research Division, Institute of Mental Health, Singapore, Singapore.

The study of the experience of clients across multiple service encounters (or touchpoints) is important from the perspective of service research. Despite the availability of effective psychotherapies, there exists a significant gap in the optimal delivery of such interventions in the community. Therefore, the aim of this study was to explore the experience of psychotherapy among clients integrating the before-during-after service encounters using a qualitative approach. Read More

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A Pseudoscorpion's Promising Pinch: The venom of Chelifer cancroides contains a rich source of novel compounds.

Toxicon 2021 Aug 18;201:92-104. Epub 2021 Aug 18.

Institute of Zoology, University of Cologne, Cologne, D-50674, Germany.

With pedipalps modified for venom injection, some pseudoscorpions possess a unique venom delivery system, which evolved independently from those of other arachnids like scorpions and spiders. Up to now, only a few studies have been focused on pseudoscorpion venom, which either identified a small fraction of venom compounds, or were based on solely transcriptomic approaches. Only one study addressed the bioactivity of pseudoscorpion venom. Read More

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The NF-Y-PYR module integrates the abscisic acid signal pathway to regulate plant stress tolerance.

Plant Biotechnol J 2021 Aug 20. Epub 2021 Aug 20.

Institute of Crop Science, Chinese Academy of Agricultural Sciences (CAAS)/National Key Facility for Crop Gene Resources and Genetic Improvement, Key Laboratory of Biology and Genetic Improvement of Triticeae Crops, Ministry of Agriculture, Beijing, 100081, China.

Drought and salt stresses impose major constraints on soybean production worldwide. However, improving agronomically valuable soybean traits under drought conditions can be challenging due to trait complexity and multiple factors that influence yield. Here, we identified a nuclear factor Y C subunit (NF-YC) family transcription factor member, GmNF-YC14, which formed a heterotrimer with GmNF-YA16 and GmNF-YB2 to activate the GmPYR1-mediated abscisic acid (ABA) signaling pathway to regulate stress tolerance in soybean. Read More

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