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https://www.readbyqxmd.com/read/30341945/uno-dmrg-cas-ci-calculations-of-binuclear-manganese-complex-mn-iv-2-o-2-nhchco-2-4-scope-and-applicability-of-heisenberg-model
#1
Takashi Kawakami, Koichi Miyagawa, Sandeep Sharma, Toru Saito, Mitsuo Shoji, Satoru Yamada, Shusuke Yamanaka, Mitsutaka Okumura, Takahito Nakajima, Kizashi Yamaguchi
Both direct exchange and super-exchange interactions cooperate to realize inter-spin magnetic interaction in binuclear manganese complex Mn(IV)2 O2 (NHCHCO2 )4 with a di-μ-oxo path. We revisited this spin system using DMRG CAS methods and CAS selection procedures. Our results indicate that our previous "dynamically extended spin polarization" (DE-SP) procedure for organic polyradicals and so forth does not work well. Thus, we have examined another selection procedure, the "dynamically extended super-exchange" (DE-SE) procedure...
October 20, 2018: Journal of Computational Chemistry
https://www.readbyqxmd.com/read/30340643/stereotactic-ablative-radiotherapy-sabr-as-primary-adjuvant-consolidation-and-re-treatment-option-in-pancreatic-cancer-scope-for-dose-escalation-and-lessons-for-toxicity
#2
Christy Goldsmith, P Nicholas Plowman, Melanie M Green, Roger G Dale, Patricia M Price
BACKGROUND: Stereotactic ablative radiotherapy (SABR) offers an alternative treatment for pancreatic cancer, with the potential for improved tumour control and reduced toxicity compared with conventional therapies. However, optimal dose planning and delivery strategies are unelucidated and gastro-intestinal (GI) toxicity remains a key concern. METHODS: Patients with inoperable non-metastatic pancreatic cancer who received CyberKnife® SABR (18-36 Gy) in three fractions as primary, adjuvant, consolidation or re-treatment options were studied...
October 19, 2018: Radiation Oncology
https://www.readbyqxmd.com/read/30337160/medicines-management-activity-with-physiotherapy-and-podiatry-a-systematic-mixed-studies-review
#3
REVIEW
Karen Stenner, Jude Edwards, Freda Mold, Simon Otter, Molly Courtenay, Ann Moore, Nicola Carey
OBJECTIVE: Making best use of existing skills to increase service capacity is a global challenge. The aim was to systematically review physiotherapy and podiatrist prescribing and medicines management activity, including evidence of impact on patient care, levels of knowledge and attitudes towards extended medicines role. METHODS: A search of MEDLINE, CINAHL, and Cochrane databases, using terms to identify prescribing and medicines management across a range of roles, was conducted from January 1985 to May 2016 for physiotherapy, and January 1968 to May 2016 for podiatry...
October 10, 2018: Health Policy
https://www.readbyqxmd.com/read/30335364/surface-functionalization-and-patterning-by-multifunctional-resorcinarenes
#4
Farid Behboodi-Sadabad, Vanessa Trouillet, Alexander Welle, Phillip B Messersmith, Pavel A Levkin
Plant phenolic compounds and catecholamines have been widely used to obtain substrate-independent precursor nanocoatings and adhesives. Nevertheless, there are downsides in using such phenolic compounds for surface modification such as formation of non-uniform coatings, need for multistep modification, and restricted possibilities for post-functionalization. In this study, inspired by strong binding ability of natural polyphenols found in plants, we used three different macrocyclic polyphenols, known as resorcin[4]arenes, to modify the surface of a different substrates by simple dip coating into the dilute solution of these compounds...
October 18, 2018: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/30329090/clipick-a-sensitive-peak-caller-for-expression-based-deconvolution-of-hits-clip-signals
#5
Sihyung Park, Seung Hyun Ahn, Eun Sol Cho, You Kyung Cho, Eun-Sook Jang, Sung Wook Chi
High-throughput sequencing of RNAs isolated by crosslinking immunoprecipitation (HITS-CLIP, also called CLIP-Seq) has been used to map global RNA-protein interactions. However, a critical caveat of HITS-CLIP results is that they contain non-linear background noise-different extent of non-specific interactions caused by individual transcript abundance-that has been inconsiderately normalized, resulting in sacrifice of sensitivity. To properly deconvolute RNA-protein interactions, we have implemented CLIPick, a flexible peak calling pipeline for analyzing HITS-CLIP data, which statistically determines the signal-to-noise ratio for each transcript based on the expression-dependent background simulation...
October 17, 2018: Nucleic Acids Research
https://www.readbyqxmd.com/read/30324329/nanomedicines-for-malaria-chemotherapy-encapsulation-vs-polymer-therapeutics
#6
REVIEW
Sindisiwe Mvango, William M R Matshe, Abideen O Balogun, Lynne A Pilcher, Mohammed O Balogun
Malaria is one of the oldest infectious diseases that afflict humans and its history extends back for millennia. It was once prevalent throughout the globe but today it is mainly endemic to tropical regions like sub-Saharan Africa and South-east Asia. Ironically, treatment for malaria has existed for centuries yet it still exerts an enormous death toll. This contradiction is attributed in part to the rapid development of resistance by the malaria parasite to chemotherapeutic drugs. In turn, resistance has been fuelled by poor patient compliance to the relatively toxic antimalarial drugs...
October 15, 2018: Pharmaceutical Research
https://www.readbyqxmd.com/read/30322910/facebook-language-predicts-depression-in-medical-records
#7
Johannes C Eichstaedt, Robert J Smith, Raina M Merchant, Lyle H Ungar, Patrick Crutchley, Daniel Preoţiuc-Pietro, David A Asch, H Andrew Schwartz
Depression, the most prevalent mental illness, is underdiagnosed and undertreated, highlighting the need to extend the scope of current screening methods. Here, we use language from Facebook posts of consenting individuals to predict depression recorded in electronic medical records. We accessed the history of Facebook statuses posted by 683 patients visiting a large urban academic emergency department, 114 of whom had a diagnosis of depression in their medical records. Using only the language preceding their first documentation of a diagnosis of depression, we could identify depressed patients with fair accuracy [area under the curve (AUC) = 0...
October 15, 2018: Proceedings of the National Academy of Sciences of the United States of America
https://www.readbyqxmd.com/read/30312332/a-discourse-analysis-of-the-macro-structure-metadiscoursal-and-microdiscoursal-features-in-the-abstracts-of-research-articles-across-multiple-science-disciplines
#8
Sing Bik Cindy Ngai, Rita Gill Singh, Alex Chun Koon
The abstract of a scientific research article convinces readers that the article deserves to be read. Abstracts can also determine the success of publications and grant applications. In recent years, there has been a trend of cross-disciplinary collaborations in the science community. Scientists have been increasingly expected to engage not only experts of their own disciplines, but also other disciplines with the scope of interest extending to non-experts, such as policy-makers and the general public. Thus, the macro-structure, metadiscoursal and microdiscoursal features exhibited in scientific article abstracts merit attention...
2018: PloS One
https://www.readbyqxmd.com/read/30304799/extension-of-the-advanced-reach-tool-art-to-include-welding-fume-exposure
#9
REVIEW
Aduldatch Sailabaht, Fan Wang, John Cherrie
The Advanced REACH Tool (ART) is a mechanistic higher tier model to estimate inhalation exposure to chemicals using a Bayesian approach. Currently the ART model does not include exposure to welding fumes within its applicability domain; it has only been calibrated for vapours, mists, and dusts. To extend the scope to metal fumes it is necessary to review the model structure to ensure that it is appropriate, and to calibrate the updated model using available welding fume exposure measurements. This paper provides a discussion of the key modifying factors (MFs) that should be considered to extend the ART model to include welding fume exposure...
October 9, 2018: International Journal of Environmental Research and Public Health
https://www.readbyqxmd.com/read/30300406/blasterjs-a-novel-interactive-javascript-visualisation-component-for-blast-alignment-results
#10
Aitor Blanco-Míguez, Florentino Fdez-Riverola, Borja Sánchez, Anália Lourenço
BACKGROUND: The wide range of potential applications has made the Basic Local Alignment Search Tool (BLAST) a ubiquitous tool in the field of Molecular Biology. Within this context, it is increasingly appealing to embed BLAST services within larger Web applications. RESULTS: This work introduces BlasterJS viewer, a new JavaScript library for the lightweight development of Web-based applications supporting the visualisation of BLAST outputs. BlasterJS detaches from similar data viewers by focusing on the visual and interactive display of sequence similarity results and being completely independent of BLAST services...
2018: PloS One
https://www.readbyqxmd.com/read/30299503/xylem-functioning-dysfunction-and-repair-a-physical-perspective-and-implications-for-phloem-transport
#11
Wilfried Konrad, Gabriel Katul, Anita Roth-Nebelsick, Kaare H Jensen
Xylem and phloem are the two main conveyance systems in plants allowing exchanges of water and carbohydrates between roots and leaves. While each system has been studied in isolation for well over a century, the coupling and coordination between them remains the subject of inquiry and active research and frames the scope of the review here. Using a set of balance equations, hazards of bubble formation and their role in shaping xylem pressure and its corollary impact on phloem pressure and sugar transport are featured...
October 9, 2018: Tree Physiology
https://www.readbyqxmd.com/read/30291885/evolution-as-a-search-for-organizational-eqilibrium
#12
Mikhail A Shishkin
Evolution of living systems is a succession of historical changes in their equilibrium states. In the individual life cycle, every such state is realized as an equilibrium of developmental system, i.e. as its adult organizational norm. A trigger for a switching the system to a search for a new equilibrium is the loss under critical conditions of effective regulation of normal development towards uniform final state. This is manifested by replacement of the adult norm by its individual deviations. Thus, the organizational change begins with its adult state, which is the first to undergo the disturbance under new conditions...
October 3, 2018: Bio Systems
https://www.readbyqxmd.com/read/30289339/a-determinants-of-health-conceptual-model-for-fish-and-wildlife-health
#13
Julie Wittrock, Colleen Duncan, Craig Stephen
Our objectives were to establish if the determinant of health model used in the fields of human population and public health could be adapted to wildlife health; if it was applicable to more than one species; and if it reflected how fish and wildlife managers conceptualized health in practice. A conceptual model was developed using a scoping review on fish and wildlife health and resilience coupled with a participatory process with experts on barren ground caribou ( Rangifer tarandus groenlandicus) and sockeye salmon ( Oncorhynchus nerka) health...
October 5, 2018: Journal of Wildlife Diseases
https://www.readbyqxmd.com/read/30282053/control-of-mrna-splicing-by-noncoding-intragenic-rna-elements-that-evoke-a-cellular-stress-response
#14
Raymond Kaempfer, Lise Sarah Namer, Farhat Osman, Lena Ilan
Once activated by double-helical RNA, mammalian RNA-dependent stress protein kinase, PKR, phosphorylates its substrate, translation initiation factor eIF2α, to inhibit translation. eIF2α phosphorylation is critical for mounting a cellular stress response. We describe short, 100-200 nucleotide elements within cellular genes that, once transcribed, form RNA structures that potently activate PKR in the vicinity of the RNA and thereby tightly regulate gene expression in cis. Intragenic RNA activators of PKR can (a) attenuate translation of the encoded mRNA by activating PKR and inducing eIF2α phosphorylation, exemplified by the IFN-γ gene, or (b) greatly enhance mRNA splicing efficiency by activating PKR and inducing nuclear eIF2α phosphorylation, thus enabling efficient early spliceosome assembly, exemplified by the adult and fetal globin genes and the TNF-α gene that activates PKR through an RNA pseudoknot conserved from fish to humans...
September 30, 2018: International Journal of Biochemistry & Cell Biology
https://www.readbyqxmd.com/read/30279995/flexible-bronchoscopy-under-bronchoscopist-administered-moderate-sedation-versus-general-anesthesia-a-comparative-study-in-children
#15
Pritish Mondal, Priti Dalal, Niruja Sathiyadevan, David M Snyder, Satyanarayan Hegde
Background: Flexible bronchoscopy (FB) can be performed under bronchoscopist administered moderate sedation (BAMS) with a midazolam/fentanyl combination or general anesthesia (GA). However, the outcome of BAMS has not been well established in children. Currently, most of the centers prefer FB under GA. Both techniques have their advantages and disadvantages with implications for safety, complications, and diagnostic yield. The primary objective of our study was to evaluate the safety, time efficiency, and cost-effectiveness of FB under BAMS as compared with FB under GA in a similar setting...
September 1, 2018: Pediatric Allergy, Immunology, and Pulmonology
https://www.readbyqxmd.com/read/30277304/solid-phase-conversion-of-four-stereoisomers-into-a-single-enantiomer
#16
Ton Engwerda, Han Mertens, Paul Tinnemans, Hugo Meekes, Floris P J T Rutjes, Elias Vlieg
Viedma ripening is an emerging method for the solid phase deracemization of mixtures of enantiomers. Up to now, the scope of the method has remained limited to molecules with a single stereocenter. We show here that the method can be extended to obtain a single enantiomer from a mixture of stereoisomers with two different stereocenters. In addition, we show that using tailor-made chiral additives, the conversion time can be reduced by a factor of 100.
October 2, 2018: Angewandte Chemie
https://www.readbyqxmd.com/read/30272944/alkynyl-approach-toward-the-protection-of-metal-nanoclusters
#17
Zhen Lei, Xian-Kai Wan, Shang-Fu Yuan, Zong-Jie Guan, Quan-Ming Wang
The past decades have witnessed great advances in the synthesis, structure determination, and properties investigation of coinage metal nanoclusters. These monodisperse clusters have well-defined molecular structures, which is advantageous in correlating structures and properties. Metal nanoclusters are large molecules consisting of many components, so it is a big challenge to prepare them in a rational way. Strenuous efforts have been made to control their geometric and electronic structures, in order to optimize their various properties...
October 1, 2018: Accounts of Chemical Research
https://www.readbyqxmd.com/read/30265570/search-dynamics-on-multimodal-multi-objective-problems
#18
P Kerschke, H Wang, M Preuss, C Grimme, A H Deutz, H Trautmann, M T M Emmerich
We continue recent work on the definition of multimodality in multi-objective optimization (MO) and the introduction of a test-bed for multimodal MO problems. This goes beyond well-known diversity maintenance approaches but instead focuses on the landscape topology induced by the objective functions. More general multimodal MO problems are considered by allowing ellipsoid contours for single-objective subproblems. An experimental analysis compares two MO algorithms, one that explicitly relies on hypervolume gradient approximation, and one that is based on local search, both on a selection of generated example problems...
September 28, 2018: Evolutionary Computation
https://www.readbyqxmd.com/read/30261226/the-who-r-d-blueprint-2018-review-of-emerging-infectious-diseases-requiring-urgent-research-and-development-efforts
#19
REVIEW
Massinissa Si Mehand, Farah Al-Shorbaji, Piers Millett, Bernadette Murgue
The Research and Development (R&D) Blueprint is a World Health Organization initiative to reduce the time between the declaration of a public health emergency and the availability of effective diagnostic tests, vaccines, and treatments that can save lives and avert a public health crisis. The scope of the Blueprint extends to severe emerging diseases for which there are insufficient or no presently existing medical countermeasures or pipelines to produce them. In February 2018, WHO held an informal expert consultation to review and update the list of priority diseases, employing a prioritization methodology which uses the Delphi technique, questionnaires, multi-criteria decision analysis, and expert review to identify relevant diseases...
September 24, 2018: Antiviral Research
https://www.readbyqxmd.com/read/30259530/what-is-the-impact-of-dementia-on-occupational-competence-occupational-participation-and-occupational-identity-for-people-who-experience-onset-of-symptoms-while-in-paid-employment-a-scoping-review
#20
REVIEW
Catherine Andrew, Lyn Phillipson, Lynnaire Sheridan
BACKGROUND/AIM: Engagement in meaningful occupation, including paid work is considered an important determinant of health, impacted by injury or illness. Dementia is one neurodegenerative syndrome with potential to compromise capacity for remaining engaged in paid employment. In response to 'ageing' populations globally, policy shifts within developed economies are increasing workforce participation for those over 45 years and eligibility ages for retirement pensions. Dementia onset is not limited to 'older age', consequently an increased impact of dementia is likely for both older workers and those experiencing younger onset dementia...
September 26, 2018: Australian Occupational Therapy Journal
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