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https://www.readbyqxmd.com/read/28933850/an-efficient-strategy-for-the-calculation-of-solvation-free-energies-in-water-and-chloroform-at-the-quantum-mechanical-molecular-mechanical-level
#1
Meiting Wang, Pengfei Li, Xiangyu Jia, Wei Liu, Yihan Shao, Wenxin Hu, Jun Zheng, Bernard R Brooks, Ye Mei
The partitioning of solute molecules between immiscible solvents with significantly different polarities is of great importance. The polarization between the solute and solvent molecules plays an essential role in determining the solubility of the solute, which makes computational studies utilizing molecular mechanics (MM) rather difficult. In contrast, quantum mechanics (QM) can provide more reliable predictions. In this work, the partition coefficients of the side chain analogs of some amino acids between water and chloroform were computed...
September 21, 2017: Journal of Chemical Information and Modeling
https://www.readbyqxmd.com/read/28932825/editorial
#2
EDITORIAL
Adrian Saftoiu
Dear colleagues, It is my great pleasure and honor to introduce the September 2017 Issue of Ultrasound International Open (UIO), already in its eight number from the initial appearance of the journal in 2015. Recently, UIO has reached the antechamber of journals applying for Impact Factor, being accepted in ESCI (Emerging Sources Citation Index). Consequently, UIO will soon appear in the Web of Science, a major step forward for the journal. The enthusiasm and hard work of the editors, as well as of the entire Thieme support team was invaluable for this endeavor! Three landmark papers are published in the issue, along with 4 case presentations and 1 letter to the editor...
June 2017: Ultrasound International Open
https://www.readbyqxmd.com/read/28932373/cohort-profile-update-the-amirkola-health-and-ageing-project-ahap
#3
Ali Bijani, Reza Ghadimi, Ebrahim Mikaniki, Farzan Kheirkhah, Seyyed Ali Mozaffarpur, Mina Motallebnejad, Haleh Esmaili, Fatemeh Majidi, Robert Graham Cumming, Seyed Reza Hosseini
The original cohort study of AHAP started in 2011 on 1616 elderly residents of Amirkola, northern part of Iran near the Caspian Sea. The main goal of this study was to comprehensively evaluate the health of the elderly in the region with the emphasis on chronic diseases such as osteoporosis. The first cohort profile was published in the International Journal of Epidemiology in 2014. The phase 1 AHAP showed the elevated level of some diseases and conditions including osteoporosis, metabolic syndrome, obesity, vision problems and relatively low levels of oral health...
2017: Caspian Journal of Internal Medicine
https://www.readbyqxmd.com/read/28931970/toward-a-versatile-toolbox-for-cucurbit-n-uril-based-supramolecular-hydrogel-networks-through-in-situ-polymerization
#4
Ji Liu, Cindy Soo Yun Tan, Yang Lan, Oren A Scherman
The success of exploiting cucurbit[n]uril (CB[n])-based molecular recognition in self-assembled systems has sparked a tremendous interest in polymer and materials chemistry. In this study, polymerization in the presence of host-guest complexes is applied as a modular synthetic approach toward a diverse set of CB[8]-based supramolecular hydrogels with desirable properties, such as mechanical strength, toughness, energy dissipation, self-healing, and shear-thinning. A range of vinyl monomers, including acrylamide-, acrylate-, and imidazolium-based hydrophilic monomers, could be easily incorporated as the polymer backbones, leading to a library of CB[8] hydrogel networks...
September 15, 2017: Journal of Polymer Science. Part A, Polymer Chemistry
https://www.readbyqxmd.com/read/28928475/isolation-of-the-antibiotic-methyl-r-e-3-1-hydroxy-4-oxocyclopent-2-en-1-yl-acrylate-ea-2801-from-trichoderma-atroviridae
#5
Emilie Adelin, Géraldine Le Goff, Pascal Retailleau, Mercedes Bonfill, Jamal Ouazzani
The endophytic Trichoderma atroviridae UB-LMA was isolated as a symbiont of Taxus baccata and analyzed for its antimicrobial activity. By applying an original approach consisting of solid-state cultivation coupled with solid-phase extraction, a new methyl (R,E)-3-(1-hydroxy-4-oxocyclopent-2-en-1-yl)-acrylate derivative named EA-2801 (1) was isolated together with the previously reported isonitrin A and dermadin methyl ester. The chemical structure of 1 was determined by NMR and MS. Compound 1 showed antimicrobial activity against a panel of Gram-positive and -negative bacteria...
September 20, 2017: Journal of Antibiotics
https://www.readbyqxmd.com/read/28928194/diagnostic-validity-of-early-onset-obsessive-compulsive-disorder-in-the-danish-psychiatric-central-register-findings-from-a-cohort-sample
#6
Judith Nissen, Shelagh Powell, Susanne V Koch, James J Crowley, Manuel Matthiesen, Dorothy E Grice, Per H Thomsen, E Parner
OBJECTIVES: Employing national registers for research purposes depends on a high diagnostic validity. The aim of the present study was to examine the diagnostic validity of recorded diagnoses of early-onset obsessive-compulsive disorder (OCD) in the Danish Psychiatric Central Register (DPCR). DESIGN: Review of patient journals selected randomly through the DPCR. METHOD: One hundred cases of OCD were randomly selected from DPCR. Using a predefined coding scheme based on the Children's Yale Brown Obsessive Compulsive Scale (CYBOCS), experienced research nurse or child and adolescent psychiatrists assessed each journal to determine the presence/absence of OCD diagnostic criteria...
September 18, 2017: BMJ Open
https://www.readbyqxmd.com/read/28927750/the-challenge-of-the-application-of-omics-technologies-in-chemicals-risk-assessment-background-and-outlook
#7
Ursula G Sauer, Lize Deferme, Laura Gribaldo, Jörg Hackermüller, Tewes Tralau, Ben van Ravenzwaay, Carole Yauk, Alan Poole, Weida Tong, Timothy W Gant
This survey by the European Centre for Ecotoxicology and Toxicology of Chemicals (ECETOC) highlights that 'omics technologies are generally not yet applied to meet standard information requirements during regulatory hazard assessment. While they are used within weight-of-evidence approaches to investigate substances' modes-of-action, consistent approaches for the generation, processing and interpretation of 'omics data are not applied. To date, no 'omics technology has been standardised or validated. Best practices for performing 'omics studies for regulatory purposes (e...
September 16, 2017: Regulatory Toxicology and Pharmacology: RTP
https://www.readbyqxmd.com/read/28926390/misconceptions-misuses-and-misinterpretations-of-p-values-and-significance-testing
#8
Joel J Gagnier, Hal Morgenstern
The interpretation and reporting of p values and significance testing in biomedical research are fraught with misconceptions and inaccuracies. Publications of peer-reviewed research in orthopaedics are not immune to such problems. The American Statistical Association (ASA) recently published an official statement on the use, misuse, and misinterpretation of statistical testing and p values in applied research. The ASA statement discussed 6 principles: (1) "P-values can indicate how incompatible the data are with a specified statistical model...
September 20, 2017: Journal of Bone and Joint Surgery. American Volume
https://www.readbyqxmd.com/read/28924287/study-designs-use-of-statistical-tests-and-statistical-analysis-software-choice-in-2015-results-from-two-pakistani-monthly-medline-indexed-journals
#9
Masood Ali Shaikh
Assessment of research articles in terms of study designs used, statistical tests applied and the use of statistical analysis programmes help determine research activity profile and trends in the country. In this descriptive study, all original articles published by Journal of Pakistan Medical Association (JPMA) and Journal of the College of Physicians and Surgeons Pakistan (JCPSP), in the year 2015 were reviewed in terms of study designs used, application of statistical tests, and the use of statistical analysis programmes...
September 2017: JPMA. the Journal of the Pakistan Medical Association
https://www.readbyqxmd.com/read/28923521/why-do-people-with-mental-distress-have-poor-social-outcomes-four-lessons-from-the-capabilities-approach
#10
Richard Brunner
Macro level data indicate that people experiencing mental distress experience poor health, social and economic outcomes. The sociology of mental health has a series of dominant competing explanations of the mechanisms at personal, social and structural levels that generate these poor outcomes. This article explains the limitations of these approaches and takes up the challenge of Hopper (2007) who in this journal proposed the capabilities approach as a means of normatively reconceptualising the experiences of people with mental distress, with a renewed focus on agency, equality and genuine opportunity...
September 8, 2017: Social Science & Medicine
https://www.readbyqxmd.com/read/28922546/single-dose-local-administration-of-teriparatide-with-a-octacalcium-phosphate-collagen-composite-enhances-bone-regeneration-in-a-rodent-critical-sized-calvarial-defect
#11
Fumihiko Kajii, Atsushi Iwai, Hidenori Tanaka, Keiko Matsui, Tadashi Kawai, Shinji Kamakura
Octacalcium phosphate and collagen composite (OCP/Col) achieves stable bone regeneration without cell transplantation in preclinical studies. Recently, a sponsor-initiated clinical trial was conducted to commercialize the material. The present study investigated bone regeneration by OCP/Col with the single local administration of teriparatide (parathyroid hormone 1-34; TPTD). OCP/Col was prepared by mixing sieved granules of OCP and atelocollagen for medical use and a disk was molded. After the creation of a rodent critical-sized calvarial defect, OCP/Col or OCP/Col with dripped TPTD solution (1...
September 18, 2017: Journal of Biomedical Materials Research. Part B, Applied Biomaterials
https://www.readbyqxmd.com/read/28921418/coping-with-phantom-limb-pain
#12
Damien P Kuffler
Phantom limb pain is a chronic neuropathic pain that develops in 45-85% of patients who undergo major amputations of the upper and lower extremities and appears predominantly during two time frames following an amputation: the first month and later about 1 year. Although in most patients the frequency and intensity of pain diminish over time, severe pain persists in about 5-10%. It has been proposed that factors in both the peripheral and central nervous systems play major roles in triggering the development and maintenance of pain associated with extremity amputations...
September 18, 2017: Molecular Neurobiology
https://www.readbyqxmd.com/read/28916849/1000-consecutive-cases-of-laser-assisted-liposuction-utilizing-the-1440%C3%A2-nm-wavelength-nd-yag-laser-assessing-the-safety-and-efficacy
#13
Christopher T Chia, Mark G Albert, Sharon Del Vecchio, Spero J Theodorou
BACKGROUND: Liposuction remains one of the most popular aesthetic surgery procedures performed today, and it has undergone continuous refinements over the past four decades. Advancements in anesthesia, improvements in instrumentation, better understanding of fluid dynamics and the addition of energy to liposuction have led to better outcomes with improved safety and efficacy. OBJECTIVES: The purpose of this study is to review 1000 consecutive laser-assisted liposuction (LAL) cases utilizing the 1440 nm wavelength...
September 15, 2017: Aesthetic Plastic Surgery
https://www.readbyqxmd.com/read/28901325/associations-between-socio-demographic-characteristics-and-chemical-concentrations-contributing-to-cumulative-exposures-in-the-united-states
#14
Hongtai Huang, Rogelio Tornero-Velez, Timothy M Barzyk
Association rule mining (ARM) has been widely used to identify associations between various entities in many fields. Although some studies have utilized it to analyze the relationship between chemicals and human health effects, fewer have used this technique to identify and quantify associations between environmental and social stressors. Socio-demographic variables were generated based on U.S. Census tract-level income, race/ethnicity population percentage, education level, and age information from the 2010-2014, 5-Year Summary files in the American Community Survey (ACS) database, and chemical variables were generated by utilizing the 2011 National-Scale Air Toxics Assessment (NATA) census tract-level air pollutant exposure concentration data...
September 13, 2017: Journal of Exposure Science & Environmental Epidemiology
https://www.readbyqxmd.com/read/28899888/protocol-for-a-systematic-review-of-instruments-for-the-assessment-of-quality-of-life-and-well-being-in-children-and-adolescents-with-cerebral-palsy
#15
Christine Mpundu-Kaambwa, Gang Chen, Elisabeth Huynh, Remo Russo, Julie Ratcliffe
INTRODUCTION: Cerebral palsy is the most common cause of physical disability in children and adolescents and is associated with impairments that may reduce the quality of life (QOL) of this population. Patient-reported outcome measures (PROMs) can facilitate the assessment of the effect of disease and treatment on QOL, from a patient viewpoint. The purpose of this systematic review is to identify PROMs that are used to measure QOL and subjective well-being (SWB) outcomes in young people with cerebral palsy and to evaluate the suitability of these PROMs for application in economic evaluations within this population...
September 11, 2017: BMJ Open
https://www.readbyqxmd.com/read/28898961/the-economic-impact-of-workplace-wellness-programmes-in-canada
#16
J C Jacobs, E Yaquian, S M Burke, M Rouse, G Zaric
Background: The economic benefits of workplace wellness programmes (WWPs) are commonly cited as a reason for employers to implement such programmes; however, there is limited evidence outside of the US context exploring their economic impact. US evidence is less relevant in countries such as Canada with universal publicly funded health systems because of the lower potential employer savings from WWPs. Aims: To conduct a systematic review of the Canadian literature investigating the economic impact of WWPs from an employer perspective...
August 1, 2017: Occupational Medicine
https://www.readbyqxmd.com/read/28889050/music-based-interventions-to-reduce-internalizing-symptoms-in-children-and-adolescents-a-meta-analysis
#17
REVIEW
Josephine Geipel, Julian Koenig, Thomas K Hillecke, Franz Resch, Michael Kaess
BACKGROUND: Existing systematic reviews provide evidence that music therapy is an effective intervention in the treatment of children and adolescents with psychopathology. The objective of the present review was to systematically review and quantify the effects of music-based interventions in reducing internalizing symptoms (i.e., depression and anxiety) in children and adolescents using a meta-analytical approach. METHODS: Databases and journals were systematically screened for studies eligible for inclusion in meta-analysis on the effects of music-based interventions in reducing internalizing symptoms...
September 1, 2017: Journal of Affective Disorders
https://www.readbyqxmd.com/read/28888156/exploring-the-oxygen-supply-and-demand-framework-as-a-learning-tool-in-undergraduate-nursing-education
#18
Mary Gillespie, Eileen Shackell
In nursing education, physiological concepts are typically presented within a body 'systems' framework yet learners are often challenged to apply this knowledge in the holistic and functional manner needed for effective clinical decision-making and safe patient care. A nursing faculty addressed this learning challenge by developing an advanced organizer as a conceptual and integrative learning tool to support learners in diverse learning environments and practice settings. A mixed methods research study was conducted that explored the effectiveness of the Oxygen Supply and Demand Framework as a learning tool in undergraduate nursing education...
September 6, 2017: Nurse Education in Practice
https://www.readbyqxmd.com/read/28885930/therapeutic-lifestyle-changes-impact-on-weight-quality-of-life-and-psychiatric-symptoms-in-veterans-with-mental-illness
#19
Jillian M Tessier, Zachary D Erickson, Hilary B Meyer, Matthew R Baker, Hollie A Gelberg, Irina Y Arnold, Crystal Kwan, Valery Chamberlin, Jennifer A Rosen, Chandresh Shah, Gerhard Hellemann, Melissa M Lewis, Charles Nguyen, Neena Sachinvala, Binyamin Amrami, Joseph M Pierre, Donna Ames
INTRODUCTION: Veterans with mental illness tend to have shorter life spans and suboptimal physical health because of a variety of factors. These factors include poor nutrition, being overweight, and smoking cigarettes. Nonphysical contributors that may affect quality of life are the stigma associated with mental illness, social difficulties, and spiritual crises. Current mental health treatment focuses primarily on the delivery of medication and evidence-based psychotherapies, which may not affect all the above areas of a Veteran's life as they focus primarily on improving psychological symptoms...
September 2017: Military Medicine
https://www.readbyqxmd.com/read/28885319/getting-the-word-out-new-approaches-for-disseminating-public-health-science
#20
Ross C Brownson, Amy A Eyler, Jenine K Harris, Justin B Moore, Rachel G Tabak
The gap between discovery of public health knowledge and application in practice settings and policy development is due in part to ineffective dissemination. This article describes (1) lessons related to dissemination from related disciplines (eg, communication, agriculture, social marketing, political science), (2) current practices among researchers, (3) key audience characteristics, (4) available tools for dissemination, and (5) measures of impact. Dissemination efforts need to take into account the message, source, audience, and channel...
September 6, 2017: Journal of Public Health Management and Practice: JPHMP
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