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https://www.readbyqxmd.com/read/29342447/design-synthesis-and-anticancer-studies-of-novel-aminobenzazolyl-pyrimidines-as-tyrosine-kinase-inhibitors
#1
Rupesh Chikhale, Sonali Thorat, Rajan Kumar Choudhary, Nikhil Gadewal, Pramod Khedekar
Abnormal signalling from the Protein tyrosine kinases (PTKs) like receptor tyrosine kinases and intracellular tyrosine kinases can lead to diseases such as cancer especially non-small cell lung cancer, chronic myeloid leukaemia and gastrointestinal stromal tumours. Various Protein tyrosine kinase inhibitors are available but face poor bioavailability, severe toxicities and recent cases of drug-resistant cancers prompts for development of better drug molecules. In this study we report the design and development of a novel Protein Tyrosine Kinase (PTK) inhibitor on the basis of pharmacophore modelling...
January 4, 2018: Bioorganic Chemistry
https://www.readbyqxmd.com/read/29342416/identification-of-novel-quinazolinedione-derivatives-as-ror%C3%AE-t-inverse-agonist
#2
Yoshiyuki Fukase, Ayumu Sato, Yoshihide Tomata, Atsuko Ochida, Mitsunori Kono, Kazuko Yonemori, Keiko Koga, Toshitake Okui, Masashi Yamasaki, Yasushi Fujitani, Hideyuki Nakagawa, Ryoukichi Koyama, Masaharu Nakayama, Robert Skene, Bi-Ching Sang, Isaac Hoffman, Junya Shirai, Satoshi Yamamoto
Novel small molecules were synthesized and evaluated as retinoic acid receptor-related orphan receptor-gamma t (RORγt) inverse agonists for the treatment of inflammatory and autoimmune diseases. A hit compound, 1, was discovered by high-throughput screening of our compound library. The structure-activity relationship (SAR) study of compound 1 showed that the introduction of a chlorine group at the 3-position of 4-cyanophenyl moiety increased the potency and a 3-methylpentane-1,5-diamide linker is favorable for the activity...
December 28, 2017: Bioorganic & Medicinal Chemistry
https://www.readbyqxmd.com/read/29342398/adaptive-structure-concept-factorization-for-multiview-clustering
#3
Kun Zhan, Jinhui Shi, Jing Wang, Haibo Wang, Yuange Xie
Most existing multiview clustering methods require that graph matrices in different views are computed beforehand and that each graph is obtained independently. However, this requirement ignores the correlation between multiple views. In this letter, we tackle the problem of multiview clustering by jointly optimizing the graph matrix to make full use of the data correlation between views. With the interview correlation, a concept factorization-based multiview clustering method is developed for data integration, and the adaptive method correlates the affinity weights of all views...
January 17, 2018: Neural Computation
https://www.readbyqxmd.com/read/29342394/identification-of-linear-and-nonlinear-sensory-processing-circuits-from-spiking-neuron-data
#4
Dorian Florescu, Daniel Coca
Inferring mathematical models of sensory processing systems directly from input-output observations, while making the fewest assumptions about the model equations and the types of measurements available, is still a major issue in computational neuroscience. This letter introduces two new approaches for identifying sensory circuit models consisting of linear and nonlinear filters in series with spiking neuron models, based only on the sampled analog input to the filter and the recorded spike train output of the spiking neuron...
January 17, 2018: Neural Computation
https://www.readbyqxmd.com/read/29342369/added-sugar-consumption-and-chronic-oral-disease-burden-among-adolescents-in-brazil
#5
C D S Carmo, M R C Ribeiro, J X P Teixeira, C M C Alves, M M Franco, A K T C França, B B Benatti, J Cunha-Cruz, C C C Ribeiro
Chronic oral diseases are rarely studied together, especially with an emphasis on their common risk factors. This study examined the association of added sugar consumption on "chronic oral disease burden" among adolescents, with consideration of obesity and systemic inflammation pathways through structural equation modeling. A cross-sectional study was conducted of a complex random sample of adolescent students enrolled at public schools in São Luís, Brazil ( n = 405). The outcome was chronic oral disease burden, a latent variable based on the presence of probing depth ≥4 mm, bleeding on probing, caries, and clinical consequences of untreated caries...
January 1, 2018: Journal of Dental Research
https://www.readbyqxmd.com/read/29342357/diffusion-controlled-epitaxy-of-large-area-coalesced-wse2-monolayers-on-sapphire
#6
Xiaotian Zhang, Tanushree H Choudhury, Mikhail Chubarov, Yu Xiang, Bhakti Jariwala, Fu Zhang, Nasim Alem, Gwo-Ching Wang, Joshua A Robinson, Joan M Redwing
A multi-step diffusion-mediated process was developed to control the nucleation density, size and lateral growth rate of WSe2 domains on c-plane sapphire for the epitaxial growth of large area monolayer films by gas source chemical vapor deposition (CVD). The process consists of an initial nucleation step followed by an annealing period in H2Se to promote surface diffusion of tungsten-containing species to form oriented WSe2 islands with uniform size and controlled density. The growth conditions were then adjusted to suppress further nucleation and laterally grow the WSe2 islands to form a fully coalesced monolayer film in less than one hour...
January 17, 2018: Nano Letters
https://www.readbyqxmd.com/read/29342354/a-highly-dynamic-loop-of-the-pseudomonas-aeruginosa-pa14-type-iv-pilin-is-essential-for-pilus-assembly
#7
Ylan Nguyen, Stephen Boulton, E Tyler McNicholl, Madoka Akimoto, Hanjeong Harvey, Francisca Aidoo, Giuseppe Melacini, Lori L Burrows
Type IVa pili (T4aP) are long, thin surface filaments involved in attachment, motility, biofilm formation, and DNA uptake. They are important virulence factors for many bacteria, including Pseudomonas aeruginosa, an opportunistic pathogen and common cause of hospital-acquired infections. Each helical filament contains thousands of monomers of the major pilin subunit, PilA. Each P. aeruginosa strain expresses one of five phylogenetically distinct major pilins, which vary in sequence and the nature of their associated accessory protein(s)...
January 17, 2018: ACS Infectious Diseases
https://www.readbyqxmd.com/read/29342349/membrane-allostery-and-unique-hydrophobic-sites-promote-enzyme-substrate-specificity
#8
Varnavas D Mouchlis, Yuan Chen, J Andrew McCammon, Edward A Dennis
We demonstrate that lipidomics coupled with molecular dynamics reveals unique phospholipase A2 specificity toward membrane phospholipid substrates. We discovered unexpected head-group and acyl-chain specificity for three-major human phospholipases A2. These differences between each enzyme's specificity coupled with molecular dynamicsbased structural and binding studies revealed unique active site and interfacial surface binding moieties for each enzyme that explains the observed specificity at a hitherto inaccessible structural level...
January 17, 2018: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/29342324/different-atomic-terminations-associated-photocatalytic-nitrogen-fixation-of-bismuth-oxybromide-a-first-principles-study
#9
Hongxian Liu, Zhenxing Fang, Yongfei Su, Yuanli Suo, Shuping Huang, Yongfan Zhang, Kaining Ding
We have systematically investigated the electronic structures and activation capacities of BiOBr {001} facets with different atomic terminations by means of DFT methods. Our calculations reveal that oxygen vacancies (OVs) give a significant boost in band edges of the O-terminated BiOBr {001} facets, and excess electrons induced by OVs could exceed the reduction potentials of high-energy N2 intermediates. Interestingly, the Bi-terminated BiOBr {001} facets may be good candidates for photocatalytic nitrogen fixation due to the stronger activation ability of N2 molecules comparing with O-terminated BiOBr {001} facets with OVs...
January 17, 2018: Chemistry, An Asian Journal
https://www.readbyqxmd.com/read/29342321/contributions-of-material-properties-and-structure-to-increased-bone-fragility-for-a-given-bone-mass-in-the-ucd-t2dm-rat-model-of-type-2-diabetes
#10
Claire Acevedo, Meghan Sylvia, Eric Schaible, James L Graham, Kimber L Stanhope, Lionel N Metz, Bernd Gludovatz, Ann V Schwartz, Robert O Ritchie, Tamara N Alliston, Peter J Havel, Aaron J Fields
Adults with type 2 diabetes (T2D) have a higher fracture risk for a given bone quantity, but the mechanisms remain unclear. Using a rat model of polygenic obese T2D, we demonstrate that diabetes significantly reduces whole-bone strength for a given bone mass (micro-CT-derived BMC), and we quantify the roles of T2D-induced deficits in material properties versus bone structure, i.e., geometry and microarchitecture. Lumbar vertebrae and ulnae were harvested from 6-month-old lean Sprague-Dawley rats, obese Sprague-Dawley rats, and diabetic obese UCD-T2DM rats (diabetic for 69 ± 7 days; blood glucose >200 mg/dl)...
January 17, 2018: Journal of Bone and Mineral Research: the Official Journal of the American Society for Bone and Mineral Research
https://www.readbyqxmd.com/read/29342318/optical-structural-analysis-of-individual-%C3%AE-synuclein-oligomers
#11
Juan Alberto Varela, Margarida Rodrigues, Suman De, Patrick Flagmeier, Sonia Gandhi, Christopher M Dobson, David Klenerman, Steven Lee
Small aggregates of misfolded proteins play a key role in neurodegenerative disorders. Such species are difficult to study due to the lack of methods capable of resolving these heterogeneous aggregates, which are smaller than the optical diffraction limit. We demonstrate here an all-optical fluorescence microscopy method to characterise the structure of individual protein-aggregates based on the fluorescence anisotropy of dyes such as thioflavin-T, and show that this technology is capable of studying oligomers in human biofluids such as cerebrospinal fluid...
January 17, 2018: Angewandte Chemie
https://www.readbyqxmd.com/read/29342285/serial-participation-and-the-ethics-of-phase-1-healthy-volunteer-research
#12
Rebecca L Walker, Marci D Cottingham, Jill A Fisher
Phase 1 healthy volunteer clinical trials-which financially compensate subjects in tests of drug toxicity levels and side effects-appear to place pressure on each joint of the moral framework justifying research. In this article, we review concerns about phase 1 trials as they have been framed in the bioethics literature, including undue inducement and coercion, unjust exploitation, and worries about compromised data validity. We then revisit these concerns in light of the lived experiences of serial participants who are income-dependent on phase 1 trials...
January 12, 2018: Journal of Medicine and Philosophy
https://www.readbyqxmd.com/read/29342280/epigenetic-differentiation-of-natural-populations-of-lilium-bosniacum-associated-with-contrasting-habitat-conditions
#13
V Zoldoš, I Biruš, E Muratovic, Z Šatovic, A Vojta, O Robin, F Pustahija, F Bogunic, V Vicic Bockor, S Siljak-Yakovlev
Epigenetic variation in natural populations with contrasting habitats might be an important element, in addition to the genetic variation, in plant adaptation to environmental stress. Here, we assessed genetic, epigenetic and cytogenetic structure of the three Lilium bosniacum populations growing on distinct habitats. One population was growing under habitual ecological conditions for this species and the other two were growing under stress associated with high altitude and serpentine soil. Amplified fragment length polymorphism (AFLP) and methylation-sensitive amplification polymorphism (MSAP) analyses revealed that the three populations did not differentiate genetically, but were clearly separated in the three distinct clusters according to DNA methylation profiles...
January 12, 2018: Genome Biology and Evolution
https://www.readbyqxmd.com/read/29342256/comparison-of-pregnancy-outcomes-between-maternity-waiting-home-users-and-non-users-at-hospitals-with-and-without-a-maternity-waiting-home-retrospective-cohort-study
#14
Floris Braat, Tienke Vermeiden, Gashaw Getnet, Rita Schiffer, Thomas van den Akker, Jelle Stekelenburg
Objective: To examine the impact of a maternity waiting home (MWH) by comparing pregnancy outcomes between users and non-users at hospitals with and without an MWH. Methods: We conducted a retrospective cohort study in Ethiopia comparing one hospital with an MWH (Attat) to a second hospital without one (Butajira). A structured questionnaire among sampled women in 2014 and hospital records from 2011 to 2014 were used to compare sociodemographic characteristics and pregnancy outcomes between Attat MWH users and non-MWH users, Attat MWH users and Butajira, and Attat non-MWH users and Butajira...
January 12, 2018: International Health
https://www.readbyqxmd.com/read/29342245/structure-function-relationships-of-olfactory-and-taste-receptors
#15
Maik Behrens, Loïc Briand, Claire A de March, Hiroaki Matsunami, Atsuko Yamashita, Wolfgang Meyerhof, Simone Weyand
The field of chemical senses has made major progress in understanding the cellular mechanisms of olfaction and taste in the past two decades. However, the molecular understanding of odour and taste recognition is still lagging far behind and will require solving multiple structures of the relevant full-length receptors in complex with native ligands to achieve this goal. However, the development of multiple complimentary strategies for the structure determination of G protein-coupled receptors (GPCRs) makes this goal realistic...
January 12, 2018: Chemical Senses
https://www.readbyqxmd.com/read/29342237/the-roles-of-subdivisions-of-human-insula-in-emotion-perception-and-auditory-processing
#16
Yang Zhang, Wenjing Zhou, Siyu Wang, Qin Zhou, Haixiang Wang, Bingqing Zhang, Juan Huang, Bo Hong, Xiaoqin Wang
Previous studies have shown insular activations involving sensory, motor, and affective processing. However, the functional roles of subdivisions within the human insula are still not well understood. In the present study, we used intracranial electroencephalography and electrical cortical stimulation to investigate the causal roles of subdivisions of the insula in auditory emotion perception in epilepsy patients implanted with depth electrodes in this brain region. The posterior and the anterior subdivisions of the human insula, identified based on structural and functional analyses, showed distinct response properties to auditory emotional stimuli...
January 12, 2018: Cerebral Cortex
https://www.readbyqxmd.com/read/29342229/a-rapid-epistatic-mixed-model-association-analysis-by-linear-retransformations-of-genomic-estimated-values
#17
Chao Ning, Dan Wang, Huimin Kang, Raphael Mrode, Lei Zhou, Shizhong Xu, Jian-Feng Liu
Motivation: Epistasis provides a feasible way for probing potential genetic mechanism of complex traits. However, time-consuming computation challenges successful detection of interaction in practice, especially when linear mixed model (LMM) is used to control type I error in the presence of population structure and cryptic relatedness. Results: A rapid epistatic mixed-model association analysis (REMMA) method was developed to overcome computational limitation. This method first estimates individuals' epistatic effects by an extended genomic best linear unbiased prediction (EG-BLUP) model with additive and epistatic kinship matrix, then pairwise interaction effects are obtained by linear retransformations of individuals' epistatic effects...
January 12, 2018: Bioinformatics
https://www.readbyqxmd.com/read/29342218/cross-lagged-structural-equation-models-for-the-relationship-between-health-related-state-and-behaviours-and-body-bullying-in-adolescence-findings-from-longitudinal-study-elana
#18
Viviane S Straatmann, Ylva B Almquist, Aldair J Oliveira, Mikael Rostila, Claudia S Lopes
We investigated the stability and the directionality of being body bullied and a set of four variables- 1) Body Mass Index (BMI), 2) moderate and vigorous physical activity (MVPA), 3) television time (TV) and 4) video game/computer time (VG)-, termed in the present study as 'health-related state and behaviours (HRSB)'-across adolescence. The Adolescent Nutritional Assessment Longitudinal Study (ELANA) is a cohort study conducted among middle school students from two public and four private schools in Rio de Janeiro-Brazil...
2018: PloS One
https://www.readbyqxmd.com/read/29342202/cells-containing-aragonite-crystals-mediate-responses-to-gravity-in-trichoplax-adhaerens-placozoa-an-animal-lacking-neurons-and-synapses
#19
Tatiana D Mayorova, Carolyn L Smith, Katherine Hammar, Christine A Winters, Natalia B Pivovarova, Maria A Aronova, Richard D Leapman, Thomas S Reese
Trichoplax adhaerens has only six cell types. The function as well as the structure of crystal cells, the least numerous cell type, presented an enigma. Crystal cells are arrayed around the perimeter of the animal and each contains a birefringent crystal. Crystal cells resemble lithocytes in other animals so we looked for evidence they are gravity sensors. Confocal microscopy showed that their cup-shaped nuclei are oriented toward the edge of the animal, and that the crystal shifts downward under the influence of gravity...
2018: PloS One
https://www.readbyqxmd.com/read/29342195/association-between-pm10-pm2-5-no2-o3-and-self-reported-diabetes-in-italy-a-cross-sectional-ecological-study
#20
Riccardo Orioli, Giuseppe Cremona, Luisella Ciancarella, Angelo G Solimini
INTRODUCTION: Air pollution represents a serious threat to health on a global scale, being responsible for a large portion of the global burden of disease from environmental factors. Current evidence about the association between air pollution exposure and Diabetes Mellitus (DM) is still controversial. We aimed to evaluate the association between area-level ambient air pollution and self-reported DM in a large population sample in Italy. MATERIALS AND METHODS: We extracted information about self-reported and physician diagnosed DM, risk factors and socio-economic status from 12 surveys conducted nationwide between 1999 and 2013...
2018: PloS One
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