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Solvation Free Energies for Aqueous and Nonaqueous Solutions Computed Using PM7 Atomic Charges.

J Chem Inf Model 2021 Sep 15. Epub 2021 Sep 15.

Institut de Química Computacional i Catàlisi and Departament de Química, Universitat de Girona, Carrer Maria Aurèlia Capmany 69, 17003 Girona, Spain.

We describe a simple and accurate method, ESE-PM7, for calculating solvation free energies Δ in aqueous and nonaqueous solutions. The method is based on a noniterative COSMO algorithm. Molecular geometries and atomic charges calculated using the semiempirical method PM7 are used to calculate Δ. Read More

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September 2021

Toward trauma-informed applications of behavior analysis.

J Appl Behav Anal 2021 Sep 15. Epub 2021 Sep 15.

Department of Psychology, Western New England University.

Despite a growing acknowledgement of the importance of understanding the impacts of trauma on therapeutic approaches across human service disciplines, discussions of trauma have been relatively infrequent in the behavior analytic literature. In this paper, we delineate some of the barriers to discussing and investigating trauma in applied behavior analysis (ABA) and describe how the core commitments of trauma-informed care could be applied to behavior analysis. We then provide some examples of how trauma-informed care might be incorporated into ABA practice. Read More

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September 2021

Online measures of looking and learning in infancy.

Infancy 2021 Sep 15. Epub 2021 Sep 15.

Department of Psychological and Brain Sciences, Johns Hopkins University, Baltimore, Maryland, USA.

Infants in laboratory settings look longer at events that violate their expectations, learn better about objects that behave unexpectedly, and match utterances to the objects that likely elicited them. The paradigms revealing these behaviors have become cornerstones of research on preverbal cognition. However, little is known about whether these canonical behaviors are observed outside laboratory settings. Read More

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September 2021

HD-H collisions: statistical and quantum state-to-state studies.

Phys Chem Chem Phys 2021 Sep 15;23(35):19202-19208. Epub 2021 Sep 15.

Univ Rennes, CNRS, IPR (Institut de Physique de Rennes) - UMR 6251, F-35000 Rennes, France.

In the early Universe, the cooling mechanisms of the gas significantly rely on the HD abundance and excitation conditions. A proper modeling of its formation and destruction paths as well as its excitation by both radiative and collisional processes is then required to accurately describe the cooling mechanisms of the pristine gas. In such media, ion-molecule reactions are dominant. Read More

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September 2021

The Debate Between Two of the Founders of American Psychiatric Genetics, Aaron Rosanoff and Abraham Myerson, on Mendelian Models for Psychiatric Illness: 1911-1917.

J Nerv Ment Dis 2021 Sep 14. Epub 2021 Sep 14.

Virginia Institute of Psychiatric and Behavioral Genetics, and Department of Psychiatry, Medical College of Virginia/Virginia Commonwealth University, Richmond, Virginia.

Abstract: In 1911, Aaron Rosanoff published among the first pedigree studies of psychiatric illness, and the first ever in the United States, claiming that the neuropathic constitution was transmitted in as a Mendelian recessive disorder. In 1917, Abraham Myerson harshly critiqued that study, focusing on the very wide phenotypic definition of neuropathic constitution. Here, I describe Rosanoff and Myerson's backgrounds, the details of Rosanoff's study, and Myerson's critique and put this controversy in the context of the history of psychiatric genetics, emphasizing four themes: a) the close interrelationship between psychiatric diagnosis and models of genetic transmission, b) the strong attraction of Mendelian models to psychiatric geneticists after their 1900 rediscovery, c) the controversy about whether familial transmission of psychiatric illness is largely homogeneous or heterogeneous, and d) the methods taken by researchers to the problems of psychiatric genetics that typically emerged as part of their broader approach to the nature of psychiatric illness. Read More

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September 2021

International Medical Graduate Resident Wellness: Examining Qualitative Data from J-1 Visa Physician Recipients.

Acad Med 2021 Sep 14. Epub 2021 Sep 14.

H.A. Symes is research associate, Foundation for Advancement of International Medical Education and Research, Educational Commission for Foreign Medical Graduates (FAIMER/ECFMG), Philadelphia, Pennsylvania. J.R. Boulet is vice president, Foundation for Advancement of International Medical Education and Research, Educational Commission for Foreign Medical Graduates (FAIMER/ECFMG), Philadelphia, Pennsylvania. N.A. Yaghmour is associate director, Wellness and Milestones Research, Accreditation Council of Graduate Medical Education (ACGME), Chicago, Illinois; https://orcid.org/0000-0001-7297-1517. T. Wallowicz is assistant vice president, Exchange Visitor Sponsorship Program and Compliance, Educational Commission for Foreign Medical Graduates (ECFMG), Philadelphia, Pennsylvania. D. Waller McKinley is assistant vice president, Research and Data Resources, Foundation for Advancement of International Medical Education and Research, Educational Commission for Foreign Medical Graduates (FAIMER/ECFMG), Philadelphia, Pennsylvania; https://orcid.org/0000-0002-8709-0365.

Purpose: International medical graduates (IMGs), approximately 25% of the U.S. physician workforce, have unique needs as they enter residency programs. Read More

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September 2021

A Risk Stratification Approach to Allocating Diabetes Education and Support Services.

Diabetes Technol Ther 2021 Sep 15. Epub 2021 Sep 15.

University of Pittsburgh, 6614, Department of Medicine, Division of Endocrinology and Metabolism; , Pittsburgh, Pennsylvania, United States;

The objective of this study was to describe a predictive modeling approach to risk stratify people with type 2 diabetes for diabetes self-management education and support services (DSMES). With data from a large health system, a predictive model including age, HbA1c, and insulin use among other factors, was developed to assess risk of future high HbA1c. The model was retrospectively applied to a cohort of people who received DSMES over a 2-year period to assess the impact of DSMES on glycemia by risk strata. Read More

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September 2021

The ORF45 protein of Kaposi Sarcoma-associated Herpesvirus (KSHV) is an inhibitor of p53 signaling during viral reactivation.

J Virol 2021 Sep 15:JVI0145921. Epub 2021 Sep 15.

Department of Microbiology and Immunology, Lineberger Comprehensive Cancer Center, The University of North Carolina at Chapel Hill, Chapel Hill, North Carolina, USA.

Kaposi Sarcoma-associated herpesvirus (KSHV) is a carcinogenic double-stranded DNA virus and the etiological agent of Kaposi's Sarcoma (KS), primary effusion lymphoma (PEL), and multicentric Castleman's Disease (MCD). To prevent premature apoptosis and support its replication cycle, KSHV expresses a series of open reading frames (ORFs) that regulate signaling by the p53 tumor suppressor protein. Here we describe a novel viral inhibitor of p53 encoded by KSHV ORF45 and identify its mechanism of action. Read More

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September 2021

Cell culture evolution of a HSV-1/VZV UL34/ORF24 chimeric virus reveals novel functions for HSV genes in capsid nuclear egress.

J Virol 2021 Sep 15:JVI0095721. Epub 2021 Sep 15.

HSV and VZV are both members of the alphaherpesvirus subfamily, but are of different genera. Substitution of the HSV-1 UL34 coding sequence with that of its VZV homolog, ORF24, results in a virus that has defects in viral growth, spread, capsid egress, and nuclear lamina disruption very similar to those seen in a UL34-null virus despite normal interaction between ORF24 protein and HSV pUL31 and proper localization of the nuclear egress complex at the nuclear envelope. Minimal selection for growth in cell culture resulted in viruses that grew and spread much more efficiently that the parental chimeric virus. Read More

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September 2021

A competitive hemagglutination inhibition assay for dissecting functional antibody activity to influenza virus.

J Virol 2021 Sep 15:JVI0237920. Epub 2021 Sep 15.

Center for Vaccines and Immunology, University of Georgia, Athens, GA 30602, USA.

Influenza remains one of the most contagious infectious diseases. Approximately, 25-50 million people suffer from influenza-like illness in the United States annually, leading to almost 1 million hospitalizations. Globally, the World Health Organization (WHO) estimates 250,000-500,000 mortalities associated with secondary respiratory complications due to influenza virus infection every year. Read More

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September 2021

Competitive kinetics of Ni(II)/Co(II) and Cr(VI)/P(V) adsorption and desorption on goethite: A unified thermodynamically based model.

J Hazard Mater 2021 Aug 25;423(Pt A):127028. Epub 2021 Aug 25.

State Key Laboratory of Pollution Control and Resource Reuse, School of the Environment, Nanjing University, Xianlin Ave. 163, Nanjing 210023, PR China. Electronic address:

Predicting the dynamic behavior of coexisting ions on mineral interface is essential to understanding their lability in soil matrix, but a mechanical kinetic model for predicting competitive adsorption is lacking. In this study, the thermodynamic and kinetic adsorption behaviors of Ni(II), Co(II), Cr(VI), and P(V) on goethite under various condition were investigated by batch and stirred-flow experiments, respectively. The equilibrium model CD-MUSIC was developed to describe their equilibrium behavior, followed by the development of a multi-rate kinetic model constrained by the equilibrium model to describe their kinetic behavior. Read More

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Adoption of the concept of person-centred care into discourse in Europe: a systematic literature review.

J Health Organ Manag 2021 Sep;35(9):265-280

Institute of Health and Care Sciences, University of Gothenburg, Goteborg, Sweden.

Purpose: This study aims to describe how person-centred care, as a concept, has been adopted into discourse in 23 European countries in relation to their healthcare systems (Beveridge, Bismarck, out of pocket).

Design/methodology/approach: A literature review inspired by the SPICE model, using both scientific studies (CINHAL, Medline, Scopus) and grey literature (Google), was conducted. A total of 1,194 documents from CINHAL ( = 139), Medline ( = 245), Scopus ( = 493) and Google ( = 317) were analysed for content and scope of person-centred care in each country. Read More

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September 2021

Continuous-time stochastic processes for the spread of COVID-19 disease simulated via a Monte Carlo approach and comparison with deterministic models.

J Math Biol 2021 09 14;83(4):34. Epub 2021 Sep 14.

Dipartimento di Matematica e Informatica, Università degli Studi di Catania, Viale Andrea Doria 6, 95125, Catania, Italy.

Two stochastic models are proposed to describe the evolution of the COVID-19 pandemic. In the first model the population is partitioned into four compartments: susceptible S, infected I, removed R and dead people D. In order to have a cross validation, a deterministic version of such a model is also devised which is represented by a system of ordinary differential equations with delays. Read More

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September 2021

Pheochromocytoma Crisis Presenting With ARDS Successfully Treated With ECMO-Assisted Adrenalectomy.

AACE Clin Case Rep 2021 Sep-Oct;7(5):310-314. Epub 2021 Mar 26.

Department of Medicine, Cedars-Sinai Medical Center, Los Angeles, California.

Objective: Pheochromocytoma (PCC) crisis caused by acute catecholamine release from an adrenal PCC or extra-adrenal paraganglioma can be difficult to diagnose and may require an unconventional management strategy to achieve good outcomes. We describe a case of PCC crisis presenting with acute respiratory distress syndrome (ARDS) that resolved with stabilization on veno-venous (VV) extracorporeal membrane oxygenation (ECMO) during adrenalectomy.

Case Description: A 30-year-old man with a history of severe alcohol use disorder and a prior hospital admission for alcohol withdrawal syndrome presented with sudden-onset hemoptysis, altered mental status, and severe dyspnea that rapidly deteriorated to ARDS requiring ECMO support. Read More

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FFF Utilizing an Arteriovenous Vascular Loop of Two Peroneal Venae Comitantes for a PAM.

Plast Reconstr Surg Glob Open 2021 Sep 13;9(9):e3790. Epub 2021 Sep 13.

Department of Orthopaedic Surgery and Rehabilitation Medicine, SUNY Downstate Medical Center, Brooklyn, N.Y.

Vascularized bone grafting is widely used for reconstruction of osseous defects of the forearm. Fibular free flap (FFF) is one option, which relies on harvesting the peroneal artery. This procedure is subject to lower extremity anatomic variants; therefore, some recommend preoperative angiography. Read More

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September 2021

"Learning by Doing": a Mixed-Methods Study to Identify Why Body Painting Can Be a Powerful Approach for Teaching Surface Anatomy to Health Science Students.

Med Sci Educ 2021 Sep 9:1-13. Epub 2021 Sep 9.

College of Medicine and Dentistry, James Cook University, Townsville, QLD Australia.

Introduction: Teaching human anatomy to produce deeper understandings and knowledge retention in learners requires meaningful, engaging, and practical activities. Previous studies identify that most students who participated in body painting (BP) reported improved understanding of surface anatomy (SA). This study investigates the key factors underpinning BP helps students learn SA. Read More

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September 2021

Endovascular thrombectomy in the setting of occult cerebral artery aneurysm: Reducing the risk of iatrogenic rupture.

Radiol Case Rep 2021 Nov 5;16(11):3431-3433. Epub 2021 Sep 5.

University of Nevada, Reno School of Medicine, Department of Neurology, Reno, NV, USA.

Cerebral artery aneurysms are present in up to 10% of ischemic stroke patients, often within or adjacent to the occluded vessel. In some cases, the approach to intervention may need to be modified based on the size and location of the aneurysm. We describe a 99-year-old female with a known history of cerebral aneurysm who underwent successfully mechanical thrombectomy of a right middle cerebral artery thrombus; an 8-mm aneurysm involving the right M1 bifurcation was identified only on post-procedural digital subtraction angiography. Read More

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November 2021

Development of a culturally and linguistically sensitive virtual reality educational platform to improve vaccine acceptance within a refugee population: the SHIFA community engagement-public health innovation programme.

BMJ Open 2021 Sep 14;11(9):e051184. Epub 2021 Sep 14.

Healthcare Innovation and Practice Transformation Laboratory, Scripps Clinic La Jolla-Genesee Executive Plaza, San Diego, California, USA.

Objectives: To combat misinformation, engender trust and increase health literacy, we developed a culturally and linguistically appropriate virtual reality (VR) vaccination education platform using community-engaged approaches within a Somali refugee community.

Design: Community-based participatory research (CBPR) methods including focus group discussions, interviews, and surveys were conducted with Somali community members and expert advisors to design the educational content. Co-design approaches with community input were employed in a phased approach to develop the VR storyline. Read More

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September 2021

How to use the Delphi method to aid in decision making and build consensus in pharmacy education.

Curr Pharm Teach Learn 2021 Oct 4;13(10):1376-1385. Epub 2021 Aug 4.

UNC Eshelman School of Pharmacy, 301 Pharmacy Lane, CB# 7574, Chapel Hill, NC 27599, United States. Electronic address:

Our Situation: As pharmacy educators, we often encounter situations such as designing new curricula or establishing shared values for an organization that may be ambiguous or controversial. To generate effective solutions, it is often necessary to build group consensus with key stakeholders. The purpose of this paper is to describe and provide recommendations for using the Delphi method, a process for facilitating discussions and aiding in decision making. Read More

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October 2021

The Babytwins Study Sweden (BATSS): A Multi-Method Infant Twin Study of Genetic and Environmental Factors Influencing Infant Brain and Behavioral Development.

Twin Res Hum Genet 2021 Sep 15:1-11. Epub 2021 Sep 15.

Department of Psychological Sciences, Birkbeck, University of London, London, UK.

Twin studies can help us understand the relative contributions of genes and environment to phenotypic trait variation, including attentional and brain activation measures. In terms of applying methodologies such as electroencephalography (EEG) and eye tracking, which are key methods in developmental neuroscience, infant twin studies are almost nonexistent. Here, we describe the Babytwins Study Sweden (BATSS), a multi-method longitudinal twin study of 177 MZ and 134 DZ twin pairs (i. Read More

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September 2021

Gender, health and ageing in Fiji: a mixed methods analysis.

Int J Equity Health 2021 Sep 14;20(1):205. Epub 2021 Sep 14.

The George Institute for Global Health, University of New South Wales, 1 King Street, Newtown, Sydney, NSW, 2042, Australia.

Background: Women are disadvantaged by ageing: older women are more likely than older men to suffer from ill-health, have less access to health care and suffer discrimination within the health care system. Globally, there is a dearth of health research on gender and ageing with substantial knowledge gaps in low and middle-income country contexts. Part of a wider investigation on health and ageing in Fiji, our objective was to identify and describe gendered differences in healthy ageing in this Pacific Island context. Read More

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September 2021

Online training in evidence-based medicine and research methods for GP registrars: a mixed-methods evaluation of engagement and impact.

BMC Med Educ 2021 Sep 14;21(1):492. Epub 2021 Sep 14.

Faculty of Health Sciences and Medicine, Bond University, Gold Coast, 4229, Australia.

Background: Evidence-based medicine (EBM) is a core skillset for enhancing the quality and safety of patients' care. Online EBM education could improve clinicians' skills in EBM, particularly when it is conducted during vocational training. There are limited studies on the impact of online EBM training on clinical practice among general practitioner (GP) registrars (trainees in specialist general practice). Read More

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September 2021

Using the interviewer-administered version of Work Rehabilitation Questionnaire (WORQ) in Russia: cross-cultural adaptation and psychometric properties in traumatic spinal cord injury.

Disabil Rehabil 2021 Sep 14:1-10. Epub 2021 Sep 14.

Swiss Paraplegic Research, Nottwil, Switzerland.

Purpose: (1) To perform a cross-cultural adaptation of Work Rehabilitation Questionnaire to Russian (WORQ-R); (2) to report the psychometric properties of WORQ-R in patients with traumatic spinal cord injury (TSCI).

Materials And Methods: WORQ is designed to evaluate the work functioning of individuals who are engaged in vocational rehabilitation. We performed a formal cross-cultural adaptation of WORQ from English to Russian utilizing a standardized 3-step approach. Read More

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September 2021

A Novel Xenograft Model Demonstrates Human Fibroblast Behavior During Skin Wound Repair and Fibrosis.

Adv Wound Care (New Rochelle) 2021 Sep 14. Epub 2021 Sep 14.

Stanford University School of Medicine, 10624, Division of Plastic and Reconstructive Surgery, Stanford, California, United States;

Objective: Xenografts of human skin on immunodeficient mice provide a means of assessing human skin physiology and its response to wounding.

Approach: We describe a novel xenograft model using full-thickness human neonatal foreskin to examine human skin wound repair and fibroblast heterogeneity. Full-thickness 8-mm human neonatal foreskin biopsies were sutured into the dorsum of NSG (NOD. Read More

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September 2021

How Physician Workforce Shortages Are Hampering the Response to the Opioid Crisis.

Psychiatr Serv 2021 Sep 15:appips202000565. Epub 2021 Sep 15.

Department of Population Health, Section on Tobacco, Alcohol, and Drug Use, New York University Grossman School of Medicine, New York City (McNeely, Schatz, Appleton); Office of Behavioral Health, New York City Health + Hospitals, New York City (Schatz); Columbia University Medical Center (Olfson) and Department of Psychiatry (Williams), Columbia University, New York City; New York State Psychiatric Institute, New York City (Williams).

The United States is experiencing an unprecedented opioid crisis, with a record of about 93,000 opioid-involved overdose deaths in 2020, which requires rapid and substantial scaling up of access to effective treatment for opioid use disorder. Only 18% of individuals with opioid use disorder receive evidence-based treatment, and strategies to increase access are hindered by a lack of treatment providers. Using a case study from the largest municipal hospital system in the United States, the authors describe the effects of a workforce shortage on health system responses to the opioid crisis. Read More

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September 2021

Development of an intracellular quantitative assay to measure compound binding kinetics.

Cell Chem Biol 2021 Sep 11. Epub 2021 Sep 11.

Medicine Design, Medicinal Science and Technology, GlaxoSmithKline, Stevenage SG1 2NY, UK; GSK-Francis Crick Institute Linklabs, Medicinal Science and Technology, GlaxoSmithKline, Stevenage SG1 2NY, UK. Electronic address:

Contemporary drug discovery typically quantifies the effect of a molecule on a biological target using the equilibrium-derived measurements of IC, EC, or K. Kinetic descriptors of drug binding are frequently linked with the effectiveness of a molecule in modulating a disease phenotype; however, these parameters are yet to be fully adopted in early drug discovery. Nanoluciferase bioluminescence resonance energy transfer (NanoBRET) can be used to measure interactions between fluorophore-conjugated probes and luciferase fused target proteins. Read More

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September 2021

Karyotype structure and cytogenetic markers of and : the contribution to understanding leafcutting ant relationships.

Genome 2021 Sep 14. Epub 2021 Sep 14.

Universidade Federal de Ouro Preto, 28115, Departamento de Biodiversidade, Evolução e Meio Ambiente, Campus Morro do Cruzeiro, Ouro Preto, Brazil, 35400-000;

Leafcutting ants are considered the most important herbivores in terrestrial environments throughout the Neotropics. is the sister clade of the remaining leafcutter ants from the genera and . was the only species cytogenetically studied within the genus and shares the same chromosomal number with , bearing 22 chromosomes, whereas bears 38 chromosomes, with the exception of the social parasite (2n=36). Read More

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September 2021

Assessment of the required performance and the development of corresponding program decision rules for neglected tropical diseases diagnostic tests: Monitoring and evaluation of soil-transmitted helminthiasis control programs as a case study.

PLoS Negl Trop Dis 2021 Sep 14;15(9):e0009740. Epub 2021 Sep 14.

Neglected Tropical Diseases Support Centre, The Task Force for Global Health, Decatur, Georgia, United States of America.

Recently, the World Health Organization established the Diagnostic Technical Advisory Group to identify and prioritize diagnostic needs for neglected tropical diseases, and to ultimately describe the minimal and ideal characteristics for new diagnostic tests (the so-called target product profiles (TPPs)). We developed two generic frameworks: one to explore and determine the required sensitivity (probability to correctly detect diseased persons) and specificity (probability to correctly detect persons free of disease), and another one to determine the corresponding samples sizes and the decision rules based on a multi-category lot quality assurance sampling (MC-LQAS) approach that accounts for imperfect tests. We applied both frameworks for monitoring and evaluation of soil-transmitted helminthiasis control programs. Read More

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September 2021

Standard Setting in Simulation-Based Training of Surgical Procedures: A Systematic Review.

Ann Surg 2021 Sep 13. Epub 2021 Sep 13.

Simulation Center, Odense University Hospital, Odense, Denmark; Research and Innovation Unit of Radiology, Department of Clinical Research, University of Southern Denmark, Odense, Denmark Copenhagen Academy for Medical Education and Simulation (CAMES), Center for HR & Education, the Capital Region of Denmark; and Department of Surgery, Zealand University Hospital, Køge, Denmark Associate professor: Copenhagen Academy for Medical Education and Simulation (CAMES), Rigshospitalet, Denmark; and Department of Fetal Medicine, Rigshospitalet, Copenhagen, Denmark Professor: Copenhagen Academy for Medical Education and Simulation (CAMES), Center for HR & Education, the Capital Region of Denmark Copenhagen Hearing and Balance Center, Department of Otorhinolaryngology, Rigshospitalet, Copenhagen, Denmark; Copenhagen Academy for Medical Education and Simulation (CAMES), Center for HR & Education, the Capital Region of Denmark, Denmark.

Objective: This systematic review aims to examine the use of standard-setting methods in the context of simulation-based training of surgical procedures.

Summary Of Background: Simulation-based training is increasingly used in surgical education. However, it is important to determine which level of competency trainees must reach during simulation-based training before operating on patients. Read More

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September 2021

Addressing the Needs of Patients with Ultra-Rare Mutations One Patient at a Time: The n-Lorem Approach.

Authors:
Stanley T Crooke

Nucleic Acid Ther 2021 Sep 13. Epub 2021 Sep 13.

n-Lorem Foundation, Carlsbad, California, USA.

Thanks to the advent of genomic sequencing and numerous personalized medicine initiatives in various medical centers, it is now known that there are many patients who have heretofore never been diagnosed who have mutations that are unique to them and them only and others that may be members of an extremely rare mutation (<30 patients in the world). Although each mutation may be unique it is now estimated that there are millions of these unique or vanishingly small patient groups. Patients with diseases caused by ultra-rare mutations present challenges to the health care system that are as unique as their mutation. Read More

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September 2021