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https://www.readbyqxmd.com/read/27926950/c6-and-c7-substituted-3-4-dihydro-2-1h-quinolinones-as-inhibitors-of-monoamine-oxidase
#1
L Meiring, J Petzer, A Petzer
Purpose Monoamine oxidase (MAO) inhibitors are considered to be useful therapeutic agents and isoform specific inhibitors are employed for the treatment of depression and Parkinson's disease. MAO inhibitors are also under investigation for the treatment of disorders ranging from Alzheimer's disease, prostate cancer and certain cardiomyopathies. While a number of irreversible MAO inhibitors are available in the clinic, reversible inhibitors, particularly of the MAO-B isoform are still being developed. Based on our interest in discovering reversible inhibitors with specificity for MAO-B, we have recently reported that, among a series of 10 3,4-dihydro-2(1H)-quinolinone derivatives, are high potency MAO-B inhibitors, with a number of homologues displaying good selectivities for MAO-B over the MAO-A isoform...
December 7, 2016: Drug Research
https://www.readbyqxmd.com/read/27926849/effects-of-dimethyl-sulfoxide-on-surface-water-near-phospholipid-bilayers
#2
Yuno Lee, Philip A Pincus, Changbong Hyeon
Despite much effort to probe the properties of dimethyl sulfoxide (DMSO) solution, the effects of DMSO on water, especially near plasma membrane surfaces, still remain elusive. By performing molecular dynamics simulations at varying DMSO concentrations (XDMSO), we study how DMSO affects structural and dynamical properties of water in the vicinity of phospholipid bilayers. As proposed by a number of experiments, our simulations confirm that DMSO induces dehydration from bilayer surfaces and disrupts the H-bond structure of water...
December 6, 2016: Biophysical Journal
https://www.readbyqxmd.com/read/27926816/identification-of-polymerase-gene-mutations-that-affect-viral-replication-in-h5n1-influenza-viruses-isolated-from-pigeons
#3
Emad Mohamed Elgendy, Yasuha Arai, Norihito Kawashita, Tomo Daidoji, Tatsuya Takagi, Madiha Salah Ibrahim, Takaaki Nakaya, Yohei Watanabe
Highly pathogenic avian influenza virus H5N1 infects a wide range of host species, with a few cases of sporadic pigeon infections reported in the Middle East and Asia. However, the role of pigeons in the ecology and evolution of H5N1 viruses remains unclear. We previously reported two H5N1 virus strains, isolated from naturally infected pigeons in Egypt, that have several unique mutations in their viral polymerase genes. Here, we investigated the effect of these mutations on H5N1 polymerase activity and viral growth and identified three mutations that affected viral polymerase activity...
December 7, 2016: Journal of General Virology
https://www.readbyqxmd.com/read/27926729/intracellular-allosteric-antagonism-of-the-ccr9-receptor
#4
Christine Oswald, Mathieu Rappas, James Kean, Andrew S Doré, James C Errey, Kirstie Bennett, Francesca Deflorian, John A Christopher, Ali Jazayeri, Jonathan S Mason, Miles Congreve, Robert M Cooke, Fiona H Marshall
Chemokines and their G-protein-coupled receptors play a diverse role in immune defence by controlling the migration, activation and survival of immune cells. They are also involved in viral entry, tumour growth and metastasis and hence are important drug targets in a wide range of diseases. Despite very significant efforts by the pharmaceutical industry to develop drugs, with over 50 small-molecule drugs directed at the family entering clinical development, only two compounds have reached the market: maraviroc (CCR5) for HIV infection and plerixafor (CXCR4) for stem-cell mobilization...
December 7, 2016: Nature
https://www.readbyqxmd.com/read/27926643/implementing-immediate-postpartum-long-acting-reversible-contraception-programs
#5
Lisa G Hofler, Sarah Cordes, Carrie A Cwiak, Peggy Goedken, Denise J Jamieson, Melissa Kottke
OBJECTIVE: To understand the most important steps required to implement immediate postpartum long-acting reversible contraception (LARC) programs in different Georgia hospitals and the barriers to implementing such a program. METHODS: This was a qualitative study. We interviewed 32 key personnel from 10 Georgia hospitals working to establish immediate postpartum LARC programs. Data were analyzed using directed qualitative content analysis principles. We used the Stages of Implementation to organize participant-identified key steps for immediate postpartum LARC into an implementation guide...
December 2, 2016: Obstetrics and Gynecology
https://www.readbyqxmd.com/read/27926621/accountable-care-organization-implementation-experiences-and-rural-participation-considerations-for-nurses
#6
Matt Thomas Bagwell, Angeline Bushy, Judith Ortiz
BACKGROUND: Little is known about how accountable care organizations (ACOs) participate with rural health providers. This pilot study examines ACO participation with rural health clinics (RHCs). METHODS: Telephone interviews with 8 ACO administrators were conducted to determine the early implementation experiences of these organizations, and their participation with rural health providers, such as RHCs, using qualitative content analysis, ACO characteristics, and emerging themes from the ACO executive responses was identified...
January 2017: Journal of Nursing Administration
https://www.readbyqxmd.com/read/27925738/experimental-evidence-of-the-gardner-phase-in-a-granular-glass
#7
A Seguin, O Dauchot
Analyzing the dynamics of a vibrated bidimensional packing of bidisperse granular disks below jamming, we provide evidence of a Gardner phase deep into the glass phase. To do so, we perform several compression cycles within a given realization of the same glass and show that the particles select different average vibrational positions at each cycle, while the neighborhood structure remains unchanged. The separation between the cages obtained for different compression cycles plateaus with an increasing packing fraction, while the mean square displacement steadily decreases...
November 25, 2016: Physical Review Letters
https://www.readbyqxmd.com/read/27925732/effect-of-nematic-order-on-the-low-energy-spin-fluctuations-in-detwinned-bafe_-1-935-ni_-0-065-as_-2
#8
Wenliang Zhang, J T Park, Xingye Lu, Yuan Wei, Xiaoyan Ma, Lijie Hao, Pengcheng Dai, Zi Yang Meng, Yi-Feng Yang, Huiqian Luo, Shiliang Li
The origin of nematic order remains one of the major debates in iron-based superconductors. In theories based on spin nematicity, one major prediction is that the spin-spin correlation length at (0,π) should decrease with decreasing temperature below the structural transition temperature T_{s}. Here, we report inelastic neutron scattering studies on the low-energy spin fluctuations in BaFe_{1.935}Ni_{0.065}As_{2} under uniaxial pressure. Both intensity and spin-spin correlation start to show anisotropic behavior at high temperature, while the reduction of the spin-spin correlation length at (0,π) happens just below T_{s}, suggesting the strong effect of nematic order on low-energy spin fluctuations...
November 25, 2016: Physical Review Letters
https://www.readbyqxmd.com/read/27925544/raising-concerns-and-reporting-poor-care-in-practice
#9
Robin Ion, Aled Jones, Richard Craven
This article considers the issue of poor care and how nurses should respond when they encounter it. Several reports and inquiries into failings in care have called into question the standards of care provided by nurses. Of equal concern is the observation that in some instances, poor care is unreported. While there may be underlying structural and organisational reasons for this, it is contended that nurses have a legal, moral and professional obligation to report poor care when they become aware of it.
December 7, 2016: Nursing Standard
https://www.readbyqxmd.com/read/27925490/the-vicious-cycle-of-stigma-and-disclosure-in-self-management-a-study-among-the-dutch-hiv-population
#10
Daniel H de Vries, Luca Koppen, Adolfo Mejia Lopez, Reina Foppen
Though HIV has become a chronic disease, HIV-related stigma has remained. This article reports on a study that asked how Dutch people living with HIV-AIDS (PLWHA) experienced stigmatization and devised self-management strategies. We used qualitative findings from a survey questionnaire conducted among 468 Dutch HIV-positive people (3% of the population), using a stratified research sample. Findings show how respondents experience relatively high public (30%), self- (26%) and structural (15%) stigma. At the same time, results show the importance of selective disclosure as a self-management strategy...
December 2016: AIDS Education and Prevention: Official Publication of the International Society for AIDS Education
https://www.readbyqxmd.com/read/27925435/predicting-the-intention-to-use-condoms-and-actual-condom-use-behaviour-a-three-wave-longitudinal-study-in-ghana
#11
Enoch Teye-Kwadjo, Ashraf Kagee, Hermann Swart
BACKGROUND: Growing cross-sectional research shows that the theory of planned behaviour (TPB) is robust in predicting intentions to use condoms and condom use behaviour. Yet, little is known about the TPB's utility in explaining intentions to use condoms and condom use behaviour over time. METHODS: This study used a longitudinal design and latent variable structural equation modelling to test the longitudinal relationships postulated by the TPB. School-going youths in Ghana provided data on attitudes, subjective norms, perceived control, intentions, and behaviour regarding condom use at three time points, spaced approximately three months apart...
December 7, 2016: Applied Psychology. Health and Well-being
https://www.readbyqxmd.com/read/27925382/moving-beyond-not-enough-time-factors-influencing-paediatric-clinicians-participation-in-research
#12
Simon Paul Paget, Patrina Hy Caldwell, Joyce Murphy, Kimberley J Lilischkis, Angie M Morrow
BACKGROUND: Increasing the amount of clinical research that occurs in healthcare settings has been identified as an important mechanism to improve healthcare outcomes. While clinicians are key persons in achieving this aim, research participation amongst clinicians is generally limited. AIMS: To identify the factors (barriers and facilitators) influencing clinician research participation and determine how professional culture impacts on these factors. METHODS: Forty clinicians working at a tertiary children's hospital participated in six discipline-specific focus groups...
December 7, 2016: Internal Medicine Journal
https://www.readbyqxmd.com/read/27925327/crystal-structure-of-a-metalled-double-helix-generated-by-infinite-and-consecutive-c-agi-c-c-n1-hexylcytosine-base-pairs-through-argentophilic-and-hydrogen-bond-interactions
#13
Angel Terron, Blas Moreno-Vachiano, Antonio Bauza, Angel Garcia-Raso, Juan J Fiol, Miquel Barcelo-Oliver, Elies Molins, Antonio Frontera
The synthesis of a metalled double-helix containing exclusively silver-mediated C*-C* base pairs is reported herein (C* = N1hexylcytosine). Remarkably, it is the first crystal structure containing infinite and consecutive C*-AgI-C* base pairs that form a double helix. The AgI ion occupies the center between two C* residues with N(3)-Ag bond distances of 2.1 Å and short AgI-AgI distances (3.1 Å) suggesting an interesting argentophilic attraction as a stabilization source of the helical disposition. The solid state structure is further stabilized by metal-mediated base-pairs, hydrogen bonding and π-stacking interactions...
December 7, 2016: Chemistry: a European Journal
https://www.readbyqxmd.com/read/27925252/the-gpu-enabled-divide-expand-consolidate-ri-mp2-method-dec-ri-mp2
#14
Dmytro Bykov, Thomas Kjaergaard
We report porting of the Divide-Expand-Consolidate Resolution of the Identity second-order Møller-Plesset perturbation (DEC-RI-MP2) method to the graphic processing units (GPUs) using OpenACC compiler directives. It is shown that the OpenACC compiler directives implementation efficiently accelerates the rate-determining step of the DEC-RI-MP2 method with minor implementation effort. Moreover, the GPU acceleration results in a better load balance and thus in an overall scaling improvement of the DEC algorithm...
December 7, 2016: Journal of Computational Chemistry
https://www.readbyqxmd.com/read/27925209/dynamics-of-microbial-community-during-the-extremely-long-term-fermentation-process-of-a-traditional-soy-sauce
#15
Yang Yang, Yue Deng, Yulan Jin, Yanxi Liu, Baixue Xia, Qun Sun
BACKGROUND: Soy sauce produced by long-term natural fermentation is a traditional specialty in Asia, with a reputation for superior quality and rich flavor. In this study, both culture-dependent and independent approaches were used to investigate the microbial diversity and community dynamics during an extremely long-term (up to four years) natural fermentation of Xianshi Soy Sauce, a national intangible cultural heritage. RESULTS: Genera of Bacillus, Aspergillus, and Cladosporium were detected by both methods above...
December 7, 2016: Journal of the Science of Food and Agriculture
https://www.readbyqxmd.com/read/27925111/use-of-motorcycle-in-brazil-users-profile-prevalence-of-use-and-traffic-accidents-occurrence-a-population-based-study
#16
Lenise Menezes Seerig, Giancarlo Bacchieri, Gustavo Giacomelli Nascimento, Aluisio J D Barros, Flávio Fernando Demarco
This study aimed to describe the profile of motorcycle users and determine the prevalence of use. Also, to evaluate the reason for using a motorcycle, users' perceived risk of traffic accident, pattern of helmet wearing and number of accidents related to motorcycle use in the last 12 months. This cross-sectional study was conducted in the city of Pelotas, Southern Brazil. Sampling process was carried out in two stages, with the primary unit being the census track and the secondary the house. The study included 3,004 individuals aged 10 to 59 years, which answered a structured questionnaire...
December 2016: Ciência & Saúde Coletiva
https://www.readbyqxmd.com/read/27925033/new-carbohydrazide-derivatives-of-1h-pyrazolo-3-4-b-pyridine-and-trypanocidal-activity
#17
Raquel R S Salvador, Murilo L Bello, Igor R L Barreto, Maria A F Vera, Estela M F Muri, Sérgio DE Albuquerque, Luiza R S Dias
This paper reports the in vitro trypanocidal activity evaluation of new carbohydrazide derivatives from 3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine, substituted at C-6 position by phenyl, methyl or trifluoromethyl group. These compounds were evaluated in order to identify the antiparasitic profile against trypomastigote and amastigote forms of Trypanosoma cruzi. The 4-carbohydrazide derivatives presented different profiles of activity. In the investigation of the chemical structure influence in the trypanocidal activity, the results indicated there are large lipophilicity and volume differences among these derivatives...
December 1, 2016: Anais da Academia Brasileira de Ciências
https://www.readbyqxmd.com/read/27924993/solution-and-solid-state-structures-and-magnetism-of-a-series-of-linear-trinuclear-compounds-with-a-hexacoordinate-ln-iii-and-two-terminal-ni-ii-centers
#18
Peter Comba, Markus Enders, Michael Großhauser, Markus Hiller, Dennis Müller, Hubert Wadepohl
Reported are the syntheses, structures and magnetic properties, also by NMR spectroscopy in solution, of a series of 13 linear trinuclear 3d-4f compounds with a lanthanide(iii) surrounded by two Ni(II) ions, NiLn(III), where the central Ln(III) is hexacoordinate. For three of the crystal structures, an additional H2O molecule is coordinated to the central Ln(III) ion, leading to a monocapped trigonal prismatic structure. However, NMR spectroscopy indicates that in solution, these complexes also have a hexacoordinate Ln(III) center...
December 7, 2016: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/27924984/infrared-imaging-of-high-density-protein-arrays
#19
Joëlle De Meutter, Julie Vandenameele, André Matagne, Erik Goormaghtigh
We propose in this paper that protein microarrays could be analysed by infrared imaging in place of enzymatic or fluorescence labelling. This label-free method reports simultaneously a large series of data on the spotted sample (protein secondary structure, phosphorylation, glycosylation, presence of impurities, etc.). In the present work, 100 μm protein spots each containing about 100 pg protein were deposited to form high density regular arrays. Using arrays of infrared detectors, high resolution images could be obtained where each pixel of the image is in fact a full infrared spectrum...
December 7, 2016: Analyst
https://www.readbyqxmd.com/read/27924976/simple-and-high-yield-access-to-octafunctional-azido-amine-and-urea-group-bearing-cubic-spherosilicates
#20
Sandra Schäfer, Guido Kickelbick
Spherosilicates and polyhedral oligomeric silsesquioxanes represent unique well-defined rigid building blocks for molecular and hybrid materials. Drawbacks in their synthesis are often low yields and the restricted presence of functional groups either based on incomplete transformation of all corners or the reactivity of the functional groups. Particularly amine-functionalization reveals some synthetic challenges. In this study we report the synthesis of a new class of octafunctionalized hydrogen bond forming spherosilicates via a facile route based on octabromo alkyl functionalized cubic spherosilicates...
December 7, 2016: Dalton Transactions: An International Journal of Inorganic Chemistry
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