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Design, synthesis, and biological evaluation of novel Bcr-Abl inhibitors incorporating amino acids as flexible linker.

Bioorg Med Chem 2021 Sep 8;48:116398. Epub 2021 Sep 8.

School of Pharmacy, Health Science Center, Xi'an Jiaotong University, Xi'an 710061, China. Electronic address:

Despite the success of imatinib in CML therapy through Bcr-Abl inhibition, acquired drug resistance occurs over time in patients. In particular, the resistance caused by T315I mutation remains a challenge in clinic. Herein, we embarked on a structural optimization campaign aiming at discovery of novel Bcr-Abl inhibitors toward T315I mutant based on previously reported dibenzoylpiperazin derivatives. Read More

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September 2021

Impact of seminal and serum zinc on semen quality and hormonal status: A population-based cohort study of Russian young men.

J Trace Elem Med Biol 2021 Sep 7;68:126855. Epub 2021 Sep 7.

Department of Human Molecular Genetics, Federal Research Center 'Institute of Cytology and Genetics', the Siberian Branch of the Russian Academy of Sciences, Prospekt Academician Lavrentyeva 10, Novosibirsk, 630090, Russian Federation. Electronic address:

Background: Trace elements are important factors in human reproductive health. Among them, special attention is paid to zinc, which is an essential trace element and is necessary for the normal functioning of the male reproductive system and the process of spermatogenesis. The aim of the study was to investigate the association between seminal and serum zinc concentrations and semen quality and reproductive hormone levels in population of Russian young men. Read More

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September 2021

Driver behavior and performances on in-vehicle display based speed compliance.

Accid Anal Prev 2021 Sep 18;162:106390. Epub 2021 Sep 18.

University of Massachusetts, Amherst 160 Governors Drive, Amherst, MA 01003, USA. Electronic address:

Traffic safety, and the inherent risks associated with speeding, continue to remain a national priority. Advances in both roadway and vehicle technology have created potential mechanisms to mitigate speeding behaviors. This driving simulator study evaluated the effects of alternative ways to increase driver safety by investigating the characteristics of specific driving cues and drivers' response rates to those cues. Read More

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September 2021

Aerodynamic analysis of hospital ventilation according to seasonal variations. A simulation approach to prevent airborne viral transmission pathway during Covid-19 pandemic.

Environ Int 2021 Sep 16;158:106872. Epub 2021 Sep 16.

Institut Mutualiste Montsouris, 42 Bd Jourdan, 75014 Paris, France.

During the Covid-19 pandemic, location of the SARS-CoV-2 infected patients inside the hospital is a major issue to prevent viral cross-transmission. The objective of this study was to evaluate the risk of contamination through aerosol by using a global approach of the multiple environmental parameters to simulate, including seasonal context. A computational fluid dynamic (CFD) simulation based on the Lattice Boltzmann Method approach was used to predict airflow on the entire floor of a private hospital in Paris. Read More

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September 2021

Machine learning based early mortality prediction in the emergency department.

Int J Med Inform 2021 Sep 8;155:104570. Epub 2021 Sep 8.

School of Computer Science and Engineering, University of Electronic Science and Technology of China, Chengdu, China; Big Data Research Center, University of Electronic Science and Technology of China, Chengdu, China. Electronic address:

Background: It is a great challenge for emergency physicians to early detect the patient's deterioration and prevent unexpected death through a large amount of clinical data, which requires sufficient experience and keen insight.

Objective: To evaluate the performance of machine learning models in quantifying the severity of emergency department (ED) patients and identifying high-risk patients.

Methods: Using routinely-available demographics, vital signs and laboratory tests extracted from electronic health records (EHRs), a framework based on machine learning and feature engineering was proposed for mortality prediction. Read More

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September 2021

Fast accurate quantification of salivary cortisol and cortisone in a large-scale clinical stress study by micro-UHPLC-ESI-MS/MS using a surrogate calibrant approach.

J Chromatogr B Analyt Technol Biomed Life Sci 2021 Sep 11;1182:122939. Epub 2021 Sep 11.

Institute of Pharmaceutical Sciences, Pharmaceutical (Bio-)Analysis, University of Tübingen, Auf der Morgenstelle 8, 72076 Tübingen, Germany. Electronic address:

Cortisol and cortisone are common markers for stress and thus preferentially analyzed in matrices that allow non-invasive sampling such as saliva. Though the major drawback of immunoassays is lack of specificity due to cross reactivities, they are still most commonly used for quantification of steroid hormones. To overcome such problems, sensitive methods based on liquid chromatography-mass spectrometry are becoming more and more accepted as the golden standard for steroid bioanalysis as they achieve accurate quantification at trace levels for multiple analytes in the same run. Read More

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September 2021

Validation of an in vivo micro-CT-based method to quantify longitudinal bone growth of pubertal rats.

Bone 2021 Sep 18:116207. Epub 2021 Sep 18.

Department of Mechanical Engineering, Polytechnique Montréal, P.O. Box 6079, Station Centre-Ville, Montréal, QC, Canada, H3C 3A7; Centre de Recherche du CHU Sainte-Justine, 3175 chemin de la Côte-Sainte-Catherine, Montréal, QC, Canada, H3T 1C5. Electronic address:

Bone growth is an essential part of skeletal development during childhood and puberty. Accurately characterizing longitudinal bone growth helps to better understand the determining factors of peak bone mass, which has impacts on bone quality later in life. Animal models were largely used to study longitudinal bone growth. Read More

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September 2021

The relationship between step count and all-cause mortality and cardiovascular events: A dose-response meta-analysis.

J Sport Health Sci 2021 Sep 18. Epub 2021 Sep 18.

Key Laboratory of Environmental Medicine Engineering of Ministry of Education, Department of Epidemiology and Biostatistics, School of Public Health, Southeast University, Nanjing 210009, China. Electronic address:

Background: A goal of 10,000 steps per day is widely advocated, but there is little evidence to support that goal. Our purpose was to examine the dose-response relationships between step count and mortality and cardiovascular disease risk.

Methods: Cochrane Central Register of Controlled Trials, EMBASE, OVID, PubMed, Scopus, and Web of Science databases were systematically searched for studies published before July 09, 2021, that evaluated the association between daily steps and at least 1 outcome. Read More

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September 2021

Novel naphthyl based 1,2,4-trioxanes: Synthesis and in vivo efficacy in the Plasmodium yoelii nigeriensis in Swiss mice.

Bioorg Med Chem Lett 2021 Sep 18:128372. Epub 2021 Sep 18.

Medicinal & Process Chemistry Division, CSIR-Central Drug Research Institute, Sector 10 Jankipuram Extension Sitapur Road, Lucknow-226031, India; Department of Chemistry, Banasthali University, Banasthali Newai-304022, Rajasthan, India. Electronic address:

A new series of 1,2,4-trioxanes9a1-a4,9b1-b4, 10-13and9c1-c4were synthesized and evaluated against multidrug-resistantPlasmodium yoelii nigeriensisin Swiss mice via oral and intramuscular (i.m.) routes. Read More

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September 2021

Tile-net for undersampled cardiovascular CINE magnetic resonance imaging.

Magn Reson Imaging 2021 Sep 18. Epub 2021 Sep 18.

Department of Electrical Engineering, Kwangwoon University, 20 Kwangwoon-ro, Nowon-gu, Seoul 01897, Republic of Korea. Electronic address:

We propose the "Tile-net" method based on dividing an image into smaller tiles. Using the tile as the input to the neural network, the network is simplified substantially. The Tile-net learns at a much faster rate than the networks without tiling. Read More

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September 2021

AI-based quantification of planned radiotherapy dose to cardiac structures and coronary arteries in breast cancer patients.

Int J Radiat Oncol Biol Phys 2021 Sep 18. Epub 2021 Sep 18.

Image Sciences Institute, University Medical Center Utrecht, Utrecht, the Netherlands; Department of Biomedical Engineering and Physics, Amsterdam University Medical Centers - Location AMC, University of Amsterdam, Amsterdam, the Netherlands; Department of Radiology and Nuclear Medicine, Amsterdam University Medical Centers - Location AMC, University of Amsterdam, Amsterdam, the Netherlands; Amsterdam Cardiovascular Sciences, Amsterdam UMC - location AMC.

Purpose: To develop and evaluate an automatic deep learning method for segmentation of cardiac chambers and large arteries, and localization of the three main coronary arteries in radiotherapy planning CT. To determine the planned radiotherapy dose to cardiac structures for breast cancer therapy.

Materials And Methods: Eighteen contrast-enhanced cardiac scans acquired with a dual-layer-detector CT scanner were included for method development. Read More

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September 2021

Development and prospective validation of a spatial dose pattern based model predicting acute pulmonary toxicity in patients treated with volumetric arc-therapy for locally advanced lung cancer.

Radiother Oncol 2021 Sep 18. Epub 2021 Sep 18.

Department of Radiation Oncology, University Hospital, Brest, France; LaTIM UMR 1101 INSERM, University Brest, Brest, France.

Introduction: (Chemo)-radiotherapy is the standard treatment for patients with locally advanced lung cancer (LALC) not accessible to surgery. Despite strict application of dose constraints, acute toxicities such as acute pulmonary toxicity (APT) remain frequent, and may impact treatment's compliance and patients' quality of life. Previously, on a population treated with intensity-modulated photon therapy or passive scattering proton therapy, spatial dose patterns associated with APT were identified in the lower lungs, especially in the posterior right lung. Read More

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September 2021

Adverse Childhood Experiences and Healthcare Utilization of Children in Pediatric Emergency Departments.

J Pediatr 2021 Sep 18. Epub 2021 Sep 18.

Emory University School of Medicine, Atlanta, Georgia;; Children's Healthcare of Atlanta, Atlanta, Georgia;; Emory University School of Medicine, Department of Pediatrics, Atlanta, Georgia.

Objective: To determine the prevalence of adverse childhood experiences (ACEs) and healthcare utilization patterns of children seen in pediatric emergency departments (PEDs).

Study Design: In this cross-sectional study, caregivers of patients who presented to two urban PEDs completed a survey regarding their children's ACEs, healthcare utilization patterns, and acceptance of PED-based ACEs screening and resources. Inclusion criteria were English-speaking caregivers of patients 0-17 years not requiring acute stabilization. Read More

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September 2021

Preparation, characterization, and application of polysaccharide-based emulsions incorporated with lavender essential oil for skin-friendly cellulosic support.

Int J Biol Macromol 2021 Sep 18. Epub 2021 Sep 18.

National Institute for Chemical-Pharmaceutical Research & Development - ICCF, Bucharest, 112, Vitan Avenue, 3rd District, 31299 Bucharest, Romania.

This study aimed to develop polysaccharide-based emulsions incorporated with lavender essential oil and their application on cellulosic support for patches obtaining. The lavender essential oil has been added to emulsions as an active compound mainly due to its antimicrobial properties. In this study, emulsions were used to deliver active ingredients (lavender essential oil). Read More

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September 2021

Late durability of mitral repair for ischemic versus nonischemic functional mitral regurgitation.

Ann Thorac Surg 2021 Sep 18. Epub 2021 Sep 18.

Division of Cardiothoracic Surgery, Department of Surgery, Duke University Medical Center, Durham NC. Electronic address:

Background: Concerns regarding long-term durability of surgical repair for functional mitral regurgitation are based on short-term data, with few comparisons of ischemic (IMR) versus non-ischemic (NIFMR) etiology.

Methods: 788 consecutive patients receiving mitral repair for functional mitral regurgitation were evaluated from a prospectively maintained database. Patients with other surgical procedures were included. Read More

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September 2021

Predictors and timing for the development of symptomatic gastroesophageal reflux disease after successful eradication therapy.

Scand J Gastroenterol 2021 Sep 21:1-6. Epub 2021 Sep 21.

Department of Medicine, Division of Gastroenterology, Jichi Medical University, Shimotsuke, Japan.

Background: () eradication success increases the incidence of erosive esophagitis by normalization of gastric acid secretion. The aim of this study is to clarify predictors and timing for the development of symptomatic gastroesophageal reflux disease (GERD) after successful eradication based on long-term follow-up.

Methods: From April 2014 to October 2020, 330 patients with infections treated with a standard triple-drug regimen were enrolled, and their records retrospectively reviewed. Read More

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September 2021

The number of response categories in ordered response models.

Int J Biostat 2021 Sep 21. Epub 2021 Sep 21.

Department of Political Sciences, University of Naples Federico II, Napoli, Italy.

The choice of the number of response categories is a crucial issue in categorization of a continuous response. The paper exploits the Proportional Odds Models' property which allows to generate ordinal responses with a different number of categories from the same underlying variable. It investigates the asymptotic efficiency of the estimators of the regression coefficients and the accuracy of the derived inferential procedures when varies. Read More

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September 2021

Effects of a web-based alcohol drinking prevention program linking school-to-home in elementary students.

Public Health Nurs 2021 Sep 21. Epub 2021 Sep 21.

Department of Nursing, Gwangju Health University, Gwangju, Republic of Korea.

Objectives: We investigated the effects of a web-based alcohol drinking prevention program among early elementary school students in South Korea using the theory of planned behavior. This study utilized a combined family and school intervention approach.

Design: This was a quasi-experimental study with a non-equivalent control group. Read More

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September 2021

Sealing Ability of New Translucent Zirconia Crowns Made with Digital Workflow and Cemented with Different Types of Cement.

Int J Periodontics Restorative Dent 2021 Sep-Oct;41(5):703-710

This article evaluated the sealing capacity of single crowns made of a new zirconia (Katana STML, Kuraray Noritake) when cemented with two different cement types and two different marginal preparation types. Forty intact human anterior teeth, extracted for periodontal reasons, were used. Each sample was prepared with two margin preparations: knife-edge (KE) on one half of the tooth and chamfer (CH) on the other half. Read More

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September 2021

Evaluation of an mHealth-enabled hierarchical diabetes management intervention in primary care in China (ROADMAP): A cluster randomized trial.

PLoS Med 2021 Sep 21;18(9):e1003754. Epub 2021 Sep 21.

The George Institute for Global Health at Peking University Health Science Center, Beijing, China.

Background: Glycemic control remains suboptimal in developing countries due to critical system deficiencies. An innovative mobile health (mHealth)-enabled hierarchical diabetes management intervention was introduced and evaluated in China with the purpose of achieving better control of type 2 diabetes in primary care.

Methods And Findings: A community-based cluster randomized controlled trial was conducted among registered patients with type 2 diabetes in primary care from June 2017 to July 2019. Read More

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September 2021

Hand grip strength and health-related quality of life in postmenopausal women: a national population-based study.

Menopause 2021 Sep 20. Epub 2021 Sep 20.

Departments of Epidemiology and Medicine and Welch Center for Prevention, Epidemiology and Clinical Research, Johns Hopkins University Bloomberg School of Public Health, Baltimore, MD Department of Obstetrics and Gynecology, Seoul National University College of Medicine, Jongno-gu, Seoul, Korea Department of Obstetrics and Gynecology, Seoul National University Hospital, Jongno-gu, Seoul, Korea.

Objective: Muscle strength progressively decreases after menopause. Hand grip strength (HGS) reflects overall muscle strength and may be associated with health-related quality of life (HRQoL). We aimed to assess the association between HGS and HRQoL in postmenopausal women. Read More

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September 2021

Characterization of Morphologic and Cytochemical Staining Properties of Exogenous Materials Mimicking Fungal Organisms Encountered in Skin Biopsies.

Am J Dermatopathol 2021 Oct;43(10):679-687

Associate Professor of Pathology and Dermatology, Department of Pathology, University of Arkansas for Medical Sciences, Little Rock, AR.

Background: Exogenous materials may be encountered in skin biopsies as contamination. Contamination may occur during the biopsy procedure in the clinic or during tissue processing in the laboratory. Although the experienced pathologist may often instinctively ignore clear examples of contamination, such tissue may be a source of confusion for young pathologists and those in training. Read More

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October 2021

Technology-Enabled and Artificial Intelligence Support for Pre-Visit Planning in Ambulatory Care: Findings From an Environmental Scan.

Ann Fam Med 2021 Sep-Oct;19(5):419-426

Division of Primary Care and Population Health, Stanford School of Medicine, Stanford, California.

Purpose: Pre-visit planning (PVP) is believed to improve effectiveness, efficiency, and experience of care, yet numerous implementation barriers exist. There are opportunities for technology-enabled and artificial intelligence (AI) support to augment existing human-driven PVP processes-from appointment reminders and pre-visit questionnaires to pre-visit order sets and care gap closures. This study aimed to explore the current state of PVP, barriers to implementation, evidence of impact, and potential use of non-AI and AI tools to support PVP. Read More

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Does the Medical Student Performance Evaluation Change the Decision to Invite Residency Applicants?

West J Emerg Med 2021 Aug 21;22(5):1102-1109. Epub 2021 Aug 21.

West Virginia University School of Medicine, Department of Emergency Medicine, Morgantown, West Virginia.

Introduction: Although emergency medicine (EM) residency program directors (PD) have multiple sources to evaluate each applicant, some programs await the release of the medical student performance evaluation (MSPE) to extend interview offers. While prior studies have demonstrated that MSPE content is variable and selectively positive, no prior work has evaluated the impact of the MSPE on the likelihood to invite (LTI) applicants for a residency interview. This study aimed to evaluate how information in the MSPE impacted LTI, with the hypothesis that changes in LTI would be relatively rare based on MSPE review alone. Read More

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Assessing Density Functional Theory for Chemically Relevant Open-Shell Transition Metal Reactions.

J Chem Theory Comput 2021 Sep 21. Epub 2021 Sep 21.

Mulliken Center for Theoretical Chemistry, Institute for Physical and Theoretical Chemistry, University of Bonn, Beringstr. 4, 53115 Bonn, Germany.

Due to the principle lack of systematic improvement possibilities of density functional theory, careful assessment of the performance of density functional approximations (DFAs) on well-designed benchmark sets, for example, for reaction energies and barrier heights, is crucial. While main-group chemistry is well covered by several available sets, benchmark data for transition metal chemistry is sparse. This is especially the case for larger, chemically relevant molecules. Read More

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September 2021

Electrocaloric Effect of Structural Configurated Ferroelectric Polymer Nanocomposites for Solid-State Refrigeration.

ACS Appl Mater Interfaces 2021 Sep 21. Epub 2021 Sep 21.

School of Aeronautics and Astronautics, Central South University, Changsha 410083, China.

To successfully complete the design of high-performance electrocaloric devices for advanced flexible cooling systems, it is necessary to comprehensively consider the optimization of composite materials, structural design of nanocomposites, and device integration. The cooling power density and energy storage density of various structural configurated poly(vinylidene fluoride) (PVDF)-based polymer nanocomposites are investigated using a phase-field model through the general formulation of a partial differential equation of COMSOL Multiphysics and finite element analysis through Maxwell's equation of conservation of charge. It is revealed that ferroelectric polymer nanocomposites composed of boron nitrate fibers (BN) + [email protected] + PVDF possess the optimal result regarding their cooling power as well as the energy storage density. Read More

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September 2021

The Design, Production and Validation of the Biological and Structural Performance of an Ecologically Engineered Concrete Block Mattress - A Nature Inclusive Design for Shoreline and Offshore construction.

Integr Environ Assess Manag 2021 Sep 21. Epub 2021 Sep 21.

ECOncrete Tech, Tel Aviv, Israel.

Over the past decade, the scientific community has studied, experimented, and published a notable body of literature on ecological enhancement of coastal and marine infrastructure (CMI). The Nature-Inclusive Design (NID) approach refers to methods and technologies that can be integrated into the design and construction of CMI to create suitable habitat for native species (or communities) whose natural habitat has been degraded or reduced. To examine the compliance of new environmentally sensitive technologies with structural requirements and fiscal restraints, while providing ecosystem and habitat value, this paper presents the findings of a structural-economical-biological analysis of ecologically engineered Articulated Concrete Block Mattresses (ACBM). Read More

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September 2021

Evaluation of Scopio Labs X100 Full Field PBS: The first high-resolution full field viewing of peripheral blood specimens combined with artificial intelligence-based morphological analysis.

Int J Lab Hematol 2021 Sep 21. Epub 2021 Sep 21.

Department of Pathology, Brigham and Women's Hospital, Boston, MA, USA.

Background: Current digital cell imaging systems perform peripheral blood smear (PBS) analysis in limited regions of the PBS and require the support of manual microscopy without achieving full digital microscopy. We report a multicenter study that validated the Scopio Labs X100 Full Field PBS, a novel digital imaging system that utilizes a full field view approach for cell recognition and classification, in a decision support system mode.

Methods: We analyzed 335 normal and 310 abnormal PBS from patients with various clinical conditions and compared the performance of Scopio's Full Field PBS as the test method, with manual PBS analysis as the reference method. Read More

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September 2021

CT scan structured report for the study of abdominal wall defects: a fast, easy and practical tool at the service of both surgeons and radiologist.

Hernia 2021 Sep 21. Epub 2021 Sep 21.

Department of General Surgery, S. Chiara Hospital, Trento, Italy.

Purpose: The advantages offered by structured reporting have already been highlighted in the literature. However, there is still no evidence on the validity of this reporting method for the study of abdominal wall defects. This study aims to show the experience of the Trentino Hernia Team (THT) multidisciplinary group in the development and use of a structured CT scan report for the study of abdominal wall defects. Read More

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September 2021

Importance of saline contrast transthoracic echocardiography for evaluating large right-to-left shunt in patent foramen ovale associated with cryptogenic stroke.

Int J Cardiovasc Imaging 2021 Sep 21. Epub 2021 Sep 21.

Department of Cardiovascular Medicine, Dentistry and Pharmaceutical Sciences, Okayama University Graduate School of Medicine, 2-5-1 Shikata-cho, Kita-ku, 700-8558, Okayama, Japan.

Transcatheter closure of patent foramen ovale (PFO) is an effective therapy for preventing recurrent stroke in very specific patient cohorts, such as cryptogenic stroke (CS). The identification of high-risk PFO, which is more likely to be linked to CS, is essential. This study aimed to assess the accuracy of saline contrast transthoracic echocardiography (TTE) for evaluating large right-to-left (RL) shunt. Read More

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September 2021