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https://www.readbyqxmd.com/read/28742353/a-dft-assessment-of-the-environment-polarity-effect-on-polyaniline-water-coupling
#1
Jasmina Nedkova Petrova, Anela N Ivanova, Alia V Tadjer
Crystallization water plays an important role for the self-organization of oligomer chains in conducting polyaniline - emeraldine. In order to quantify the interaction between the emeraldine salt and such a water, models containing a tetramer in bipolaronic or polaronic form, chloride counterions and an explicit water molecule are used. Different initial positions of water with respect to the oligomer chain - tangential and vertical, are considered. Various media are simulated by introducing implicit solvent continuum of decreasing polarity...
July 25, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28741603/role-of-the-lung-microbiome-in-the-pathogenesis-of-chronic-obstructive-pulmonary-disease
#2
REVIEW
Lei Wang, Ke Hao, Ting Yang, Chen Wang
OBJECTIVE: The development of culture-independent techniques for microbiological analysis shows that bronchial tree is not sterile in either healthy or chronic obstructive pulmonary disease (COPD) individuals. With the advance of sequencing technologies, lung microbiome has become a new frontier for pulmonary disease research, and such advance has led to better understanding of the lung microbiome in COPD. This review aimed to summarize the recent advances in lung microbiome, its relationships with COPD, and the possible mechanisms that microbiome contributed to COPD pathogenesis...
July 24, 2017: Chinese Medical Journal
https://www.readbyqxmd.com/read/28741481/the-new-frontiers-in-cancer
#3
EDITORIAL
Ana Batista
No abstract text is available yet for this article.
October 2016: Trends in Cancer
https://www.readbyqxmd.com/read/28741245/the-last-frontier-transcatheter-devices-for-percutaneous-or-minimally-invasive-treatment-of-chronic-heart-failure
#4
REVIEW
V J Nijenhuis, L Sanchis, J A S van der Heyden, P Klein, B J W M Rensing, A Latib, F Maisano, J M Ten Berg, P Agostoni, M J Swaans
Heart failure has a high prevalence in the general population. Morbidity and mortality of heart failure patients remain high, despite improvements in drug therapy, implantable cardioverter-defibrillators and cardiac resynchronisation therapy. New transcatheter implantable devices have been developed to improve the treatment of heart failure. There has been a rapid development of minimally invasive or transcatheter devices used in the treatment of heart failure associated with aortic and mitral valve disease and these devices are being incorporated into routine clinical practice at a fast rate...
July 24, 2017: Netherlands Heart Journal
https://www.readbyqxmd.com/read/28740618/ethical-issues-associated-with-medical-tourism-in-africa
#5
REVIEW
John J O Mogaka, Lucia Mupara, Joyce M Tsoka-Gwegweni
Global disparities in medical technologies, laws, economic inequities, and social-cultural differences drive medical tourism (MT), the practice of travelling to consume healthcare that is either too delayed, unavailable, unaffordable or legally proscribed at home. Africa is simultaneously a source and destination for MT. MT however, presents a new and challenging health ethics frontier, being largely unregulated and characterized by policy contradictions, minority discrimination and conflict of interest among role-players...
2017: Journal of Market Access & Health Policy
https://www.readbyqxmd.com/read/28738670/antidoping-program-an-important-factor-in-the-promotion-and-protection-of-the-integrity-of-sport-and-athlete-s-health
#6
Filomena Mazzeo, Vincenzo Monda, Stefania Santamaria, Ersilia Nigro, Anna Valenzano, Ines Villano, Giuseppe Cibelli, Antonietta Messina, Giovanni Messina
Use of performance-enhancing drugs concern not only elite Olympic and Paralympic Games' athletes but also amateur athletes, who are making increasing use of substances and/or methods. Furthermore, a new frontier reached by the doping is the use of genes. World Anti- Doping Agency (WADA), expressly prohibited the participation in competitive sports by the athlete in case of taking banned substances to treat disease in the event that the above assumption implies an excessive improvement of performance. This study aims to analyze and show the doping control as an essential part of the anti-doping program to promote and protect the integrity of sport and athlete's health...
July 24, 2017: Journal of Sports Medicine and Physical Fitness
https://www.readbyqxmd.com/read/28738385/pharmacological-and-nonpharmacological-interventions-to-arrest-neuroprogression-in-psychiatric-disorders
#7
Fotini Boufidou, Angelos Halaris
The concept of neuroprogression describes the progressive course of the disorder and stresses the progressive, recurrent, and chronic course of the disease entity under consideration. It subsumes clinical manifestations of the disease process and may also entail morphological, biochemical, neurochemical, immunological, physiological, and genetic aspects that contribute to the progressive course of the disease in question. In an attempt to identify the appropriate agent or method that could arrest neuroprogression in psychiatric patients, we conducted an evaluation of the use of anti-inflammatory drugs under the perspective of current pharmacological and neurophysiological data...
2017: Modern Trends in Pharmacopsychiatry
https://www.readbyqxmd.com/read/28738120/is-pediatric-long-term-care-the-next-frontier-in-infection-prevention-and-control
#8
Joanna Thomson, Samir S Shah
No abstract text is available yet for this article.
July 24, 2017: JAMA Pediatrics
https://www.readbyqxmd.com/read/28735497/conceptual-dft-analysis-of-the-regioselectivity-of-1-3-dipolar-cycloadditions-nitrones-as-a-case-of-study
#9
Ramón Alain Miranda-Quintana, Marco Martínez González, David Hernández-Castillo, Luis A Montero-Cabrera, Paul W Ayers, Christophe Morell
The regioselectivity of the 1,3-dipolar cycloaddition of a model nitrone with a set of dipolarophiles, presenting diverse electronic effects, is analyzed using conceptual density functional theory (DFT) methods. We deviate from standard approaches based on frontier molecular orbitals and formulations of the local hard/soft acid/base principle and use instead the dual descriptor. A detailed analysis is carried out to determine the influence of the way to calculate the dual descriptor, the computational procedure, basis set and choice of method to condensate the values of this descriptor...
August 2017: Journal of Molecular Modeling
https://www.readbyqxmd.com/read/28734934/analysis-of-rna-protein-interactions-in-vertebrate-embryos-using-uv-crosslinking-approaches
#10
Vladimir Despic, Mario Dejung, Falk Butter, Karla M Neugebauer
A decade ago, we believed that at least 300 RNA binding proteins (RBPs) were encoded in our genomes based on annotations of known or predicted RNA binding domains. Deciphering the roles of those RBPs in regulated gene expression was a vast frontier awaiting exploration. Since then, the field has developed a number of key tools that navigate the landscape of cellular RNA. These rely principally on UV crosslinking to create covalent bonds between RBPs and target RNAs in vivo, revealing not only target identities but also local binding sites upon RNA-Seq...
July 19, 2017: Methods: a Companion to Methods in Enzymology
https://www.readbyqxmd.com/read/28734206/theoretical-investigation-of-the-conformational-space-of-baicalin
#11
Juan J Martínez Medina, Evelina G Ferrer, Patricia A M Williams, Nora B Okulik
Flavonoids are a large group of polyphenolic compounds ubiquitously present in plants. They are important components of human diet. They are recognized as potential drug candidates to be used in the treatment and prevention of a lot of pathological disorders, due to their protective effects. Baicalin (7-glucuronic acid 5, 6-dihydroxyflavone) is one of the main single active constituents isolated from the dried roots of Scutellaria baicalensis Georgi. The great interest on this flavonoid is due to its various pharmacological properties, such as antioxidant, antimicrobial, anti-inflammatory, anticancer and so on, and its high accumulation in the roots of S...
July 11, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/28731831/toward-a-predictive-framework-for-convergent-evolution-integrating-natural-history-genetic-mechanisms-and-consequences-for-the-diversity-of-life
#12
Anurag A Agrawal
A charm of biology as a scientific discipline is the diversity of life. Although this diversity can make laws of biology challenging to discover, several repeated patterns and general principles govern evolutionary diversification. Convergent evolution, the independent evolution of similar phenotypes, has been at the heart of one approach to understand generality in the evolutionary process. Yet understanding when and why organismal traits and strategies repeatedly evolve has been a central challenge. These issues were the focus of the American Society of Naturalists Vice Presidential Symposium in 2016 and are the subject of this collection of articles...
August 2017: American Naturalist
https://www.readbyqxmd.com/read/28730205/dithieno-3-2-b-2-3-d-pyrrole-benzo-c-1-2-5-thiadiazole-conjugate-small-molecule-donors-effect-of-fluorine-content-on-their-photovoltaic-properties
#13
Manohar Reddy Busireddy, Narendra Reddy Chereddy, Balaiah Shanigaram, Bhanuprakash Kotamarthi, Subhayan Biswas, Ganesh Datt Sharma, Jayathirtha Rao Vaidya
Two new small molecule donors, namely ICT4 and ICT6 with D1-A-D2-A-D1 architecture having 2,4-bis(2-ethylhexyl)-4H-dithieno[3,2-b:2',3'-d]pyrrole (EHDTP, D1) and 4,8-bis((2-ethylhexyl)oxy)benzo[1,2-b:4,5-b']dithiophene (OBDT, D2) as the terminal and central donor, and benzo[c][1,2,5]thiadiazole (BT for ICT4) and 5,6-difluorobenzo[c][1,2,5]thiadiazole (F2BT for ICT6) as the acceptor (A) moieties, are synthesized and their optical, electronic and photovoltaic properties are investigated. Both ICT4 and ICT6 have considerable solubility in various solvents and possess efficient light absorption ability [ε (×10(5) mol(-1) cm(-1)) is 0...
July 21, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28730180/measuring-efficiency-of-secondary-healthcare-providers-in-slovenia
#14
Patricia Blatnik, Štefan Bojnec, Matej Tušak
The chief aim of this study was to analyze secondary healthcare providers' efficiency, focusing on the efficiency analysis of Slovene general hospitals. We intended to present a complete picture of technical, allocative, and cost or economic efficiency of general hospitals. METHODS: We researched the aspects of efficiency with two econometric methods. First, we calculated the necessary quotients of efficiency with the stochastic frontier analyze (SFA), which are realized by econometric evaluation of stochastic frontier functions; then, with the data envelopment analyze (DEA), we calculated the necessary quotients that are based on the linear programming method...
2017: Open Medicine (Warsaw, Poland)
https://www.readbyqxmd.com/read/28729893/mechanically-and-electrically-robust-self-assembled-monolayers-for-large-area-tunneling-junctions
#15
Yanxi Zhang, Xinkai Qiu, Pavlo Gordiichuk, Saurabh Soni, Theodorus L Krijger, Andreas Herrmann, Ryan C Chiechi
This paper examines the relationship between mechanical deformation and the electronic properties of self-assembled monolayers (SAMs) of the oligothiophene 4-([2,2':5',2″:5″,2‴-quaterthiophen]-5-yl)butane-1-thiol (T4C4) in tunneling junctions using conductive probe atomic force microscopy (CP-AFM) and eutectic Ga-In (EGaIn). We compared shifts in conductivity, transition voltages of T4C4 with increasing AFM tip loading force to alkanethiolates. While these shifts result from an increasing tilt angle from penetration of the SAM by the AFM tip for the latter, we ascribe them to distortions of the π system present in T4C4, which is more mechanically robust than alkanethiolates of comparable length; SAMs comprising T4C4 shows about five times higher Young's modulus than alkanethiolates...
July 13, 2017: Journal of Physical Chemistry. C, Nanomaterials and Interfaces
https://www.readbyqxmd.com/read/28729871/molecular-mapping-of-flowering-time-major-genes-and-qtls-in-chickpea-cicer-arietinum-l
#16
Bingi P Mallikarjuna, Srinivasan Samineni, Mahendar Thudi, Sobhan B Sajja, Aamir W Khan, Ayyanagowda Patil, Kannalli P Viswanatha, Rajeev K Varshney, Pooran M Gaur
Flowering time is an important trait for adaptation and productivity of chickpea in the arid and the semi-arid environments. This study was conducted for molecular mapping of genes/quantitative trait loci (QTLs) controlling flowering time in chickpea using F2 populations derived from four crosses (ICCV 96029 × CDC Frontier, ICC 5810 × CDC Frontier, BGD 132 × CDC Frontier and ICC 16641 × CDC Frontier). Genetic studies revealed monogenic control of flowering time in the crosses ICCV 96029 × CDC Frontier, BGD 132 × CDC Frontier and ICC 16641 × CDC Frontier, while digenic control with complementary gene action in ICC 5810 × CDC Frontier...
2017: Frontiers in Plant Science
https://www.readbyqxmd.com/read/28728419/apoferritin-nanocage-for-brain-targeted-doxorubicin-delivery
#17
Zhijiang Chen, Meifang Zhai, Xiang Yang Xie, Yue Zhang, Siyu Ma, Zhiping Li, Fanglin Yu, Baoquan Zhao, Min Zhang, Yang Yang, Xingguo Mei
An ideal brain-targeted nanocarrier must be sufficiently potent to penetrate the blood-brain barrier (BBB) and sufficiently competent to target the cells of interest with adequate optimized physiochemical features and biocompatibility. However, it is an enormous challenge to the researchers to organize the abovementioned properties into a single nanocarrier particle. New frontiers in nanomedicine are advancing the research of new biomaterials. Herein, we demonstrate a straightforward strategy for brain targeting by encapsulating doxorubicin (DOX) into a naturally available and unmodified apoferritin nanocage (DOX-loaded APO)...
July 20, 2017: Molecular Pharmaceutics
https://www.readbyqxmd.com/read/28728010/advances-in-point-of-care-technologies-for-molecular-diagnostics
#18
REVIEW
Mohammad Zarei
Advances in miniaturization, nanotechnology, and microfluidics, along with developments in cloud-connected point-of-care (POC) diagnostics technologies are pushing the frontiers of POC devices toward low-cost, user-friendly, and enhanced sensitivity molecular-level diagnostics. The combination of various bio-sensing platforms within smartphone-integrated electronic readers provides accurate on-site and on-time diagnostics based on various types of chemical and biological targets. Further, 3D printing technology shows a huge potential toward fabrication and improving the performance of POC devices...
July 11, 2017: Biosensors & Bioelectronics
https://www.readbyqxmd.com/read/28727164/the-innate-host-response-in-caries-and-periodontitis
#19
Joerg Meyle, Henrik Dommisch, Sabine Groeger, Rodrigo A Giacaman, Massimo Costalonga, Mark Herzberg
Innate immunity rapidly defends the host against infectious insults. These reactions are of limited specificity and exhaust without providing long-term protection. Functional fluids and effector molecules contribute to the defence against infectious agents, drive the immune response, and direct the cellular players. AIM: To review the literature and present a summary of current knowledge about the function of tissues, cellular players and soluble mediators of innate immunity relevant to caries and periodontitis...
July 20, 2017: Journal of Clinical Periodontology
https://www.readbyqxmd.com/read/28726891/frontier-orbitals-of-photosubstitutionally-active-ruthenium-complexes-an-experimental-study-of-the-spectator-ligands-electronic-properties-influence-on-photoreactivity
#20
Hyo Jin Jang, Samantha L Hopkins, Maxime A Siegler, Sylvestre Bonnet
The synthesis and characterization of [Ru(tpy)(R2bpy)(L)](X)n complexes (tpy = 2,2':6',2''-terpyridine, R2bpy = 4,4'-dimethyl-2,2'-bipyridine (dmbpy), or 4,4'-bis(trifluoromethyl)-2,2'-bipyridine (tfmbpy), X = Cl(-) or PF6(-), and n = 1 or 2) are described. The dmbpy and tfmbpy bidentate ligands allow for investigating the effects of electron-donating and electron-withdrawing ligands, respectively, on the frontier orbital energetics as well as the photoreactivity of these ruthenium polypyridyl complexes for five prototypical monodentate ligands L = Cl(-), H2O, CH3CN, 2-(methylthio)ethanol (Hmte), or pyridine...
July 20, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
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