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https://www.readbyqxmd.com/read/29793215/in-silico-insight-into-voltage-gated-sodium-channel-1-7-inhibition-for-anti-pain-drug-discovery
#1
Mingxing Wang, Wei Li, Ying Wang, Yongbo Song, Jian Wang, Maosheng Cheng
Studies on human genetics have implicated the voltage-gated sodium channel Nav1.7 as an appealing target for the treatment of pain. In this study, we put forward a ligand-based pharmacophore for the first time, which was generated by a set of multiple chemical scaffolds including sulfonamide and non-sulfonamide derivatives and consisted of four chemical features: an aromatic ring, a hydrophobic group and two hydrogen acceptors. The active cavity was divided into three regions according to the properties of the amino acids surrounded and was used for the docking of 16 known active inhibitors...
May 18, 2018: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/29793140/effectiveness-of-a-voluntary-family-befriending-service-a-mixed-methods-evaluation-using-the-donabedian-model
#2
S V Gentry, E F J Powers, N Azim, M Maidrag
OBJECTIVES: Voluntary befriending schemes operate in many countries, promoting public health by supporting vulnerable individuals and families. Use of third sector and voluntary services to complement health and social care provision is increasingly important globally in the context of economic and demographic challenges, but the evidence base around such collaborations is limited. This article reports the results of operational evaluation research seeking to use robust routine work to generate transferable findings for use by those commissioning and providing services...
May 21, 2018: Public Health
https://www.readbyqxmd.com/read/29793138/computation-of-marginal-distributions-of-peak-heights-in-electropherograms-for-analysing-single-source-and-mixture-str-dna-samples
#3
Robert G Cowell
Current models for single source and mixture samples, and probabilistic genotyping software based on them used for analysing STR electropherogram data, assume simple probability distributions, such as the gamma distribution, to model the allelic peak height variability given the initial amount of DNA prior to PCR amplification. Here we illustrate how amplicon number distributions, for a model of the process of sample DNA collection and PCR amplification, may be efficiently computed by evaluating probability generating functions using discrete Fourier transforms...
May 4, 2018: Forensic Science International. Genetics
https://www.readbyqxmd.com/read/29793110/remembrance-of-inferences-past-amortization-in-human-hypothesis-generation
#4
Ishita Dasgupta, Eric Schulz, Noah D Goodman, Samuel J Gershman
Bayesian models of cognition assume that people compute probability distributions over hypotheses. However, the required computations are frequently intractable or prohibitively expensive. Since people often encounter many closely related distributions, selective reuse of computations (amortized inference) is a computationally efficient use of the brain's limited resources. We present three experiments that provide evidence for amortization in human probabilistic reasoning. When sequentially answering two related queries about natural scenes, participants' responses to the second query systematically depend on the structure of the first query...
May 21, 2018: Cognition
https://www.readbyqxmd.com/read/29793031/cloning-overexpression-and-purification-of-a-gene-of-unknown-function-of-prophage-loci-from-candidatus-liberibacter-asiaticus-the-destructive-bacterial-pathogen-of-huanglongbing-disease-in-citrus-plants
#5
Duangtip Sudhan, Thamrongjet Puttamuk, Supachai Vuttipongchaikij, Pitak Chuawong
Citrus Huanglongbing (HLB) or citrus greening is one of the most destructive diseases affecting citrus industry worldwide. The causal agent in Asia is a phloem-limited, Gram-negative bacterium, 'Candidatus Liberibacter asiaticus' (CLas). Within the genome of CLas lies prophage regions, classified as Type-A, B, C, and D. In particular, Type-D has been indicated to correlate with the blotchy-mottle symptoms of citrus trees. Here we reported the cloning, overexpression, and purification of the ORF1, an open reading frame from the partial Type-D region of CLas obtained from an infected lime tree (Citrus aurantifolia Swingle)...
May 21, 2018: Protein Expression and Purification
https://www.readbyqxmd.com/read/29793023/kinetics-and-stereochemistry-of-linb-catalyzed-%C3%AE-hbcd-transformation-comparison-of-in-vitro-and-in-silico-results
#6
Norbert V Heeb, Manuel Mazenauer, Simon Wyss, Birgit Geueke, Hans-Peter E Kohler, Peter Lienemann
LinB is a haloalkane dehalogenase found in Sphingobium indicum B90A, an aerobic bacterium isolated from contaminated soils of hexachlorocyclohexane (HCH) dumpsites. We showed that this enzyme also converts hexabromocyclododecanes (HBCDs). Here we give new insights in the kinetics and stereochemistry of the enzymatic transformation of δ-HBCD, which resulted in the formation of two pentabromocyclododecanols (PBCDols) as first- (P1δ , P2δ ) and two tetrabromocyclododecadiols (TBCDdiols) as second-generation products (T1δ , T2δ )...
May 12, 2018: Chemosphere
https://www.readbyqxmd.com/read/29792968/applicability-of-endochitinase-of-flavobacterium-johnsoniae-with-transglycosylation-activity-in-generating-long-chain-chitooligosaccharides
#7
Papa Rao Vaikuntapu, Mohan Krishna Mallakuntla, Subha Narayan Das, Bhoopal Bhuvanachandra, Bellamkonda Ramakrishna, Sandhya Rani Nadendla, Appa Rao Podile
Chitin and its derivatives are used for a variety of applications. Flavobacterium johnsoniae UW1 is an aerobic Gram-negative bacterium and genome analysis revealed the presence of 10 glycoside hydrolases (GHs) that may degrade or modify chitin. The gene encoding chitinase B (FjchiB), which encodes a single catalytic GH18 domain has been cloned and heterologously expressed in Escherichia coli. FjChiB was optimally active in 50 mM sodium citrate buffer (pH 6.0) at 40 °C. FjChiB was salt-tolerant and catalytically versatile, with substrate specificity towards 75% DDA (degree of de-acetylation) chitosan, followed by colloidal chitin...
May 21, 2018: International Journal of Biological Macromolecules
https://www.readbyqxmd.com/read/29792930/functional-genomics-for-the-oleaginous-yeast-yarrowia-lipolytica
#8
Kurt Patterson, James Yu, Jenny Landberg, Ivan Chang, Farbod Shavarebi, Virginia Bilanchone, Suzanne Sandmeyer
Oleaginous yeasts are valuable systems for biosustainable production of hydrocarbon-based chemicals. Yarrowia lipolytica is one of the best characterized of these yeast with respect to genome annotation and flux analysis of metabolic processes. Nonetheless, progress is hampered by a dearth of genome-wide tools enabling functional genomics. In order to remedy this deficiency, we developed a library of Y. lipolytica insertion mutants via transposon mutagenesis. The Hermes DNA transposon was expressed to achieve saturation mutagenesis of the genome...
May 21, 2018: Metabolic Engineering
https://www.readbyqxmd.com/read/29792897/mathematical-modeling-and-numerical-simulation-of-the-mitotic-spindle-orientation-system
#9
Bashar Ibrahim
The mitotic spindle orientation and position is crucial for the fidelity of chromosome segregation during asymmetric cell division to generate daughter cells with different sizes or fates. This mechanism is best understood in the budding yeast Saccharomyces cerevisiae, named the spindle position checkpoint (SPOC). The SPOC inhibits cells from exiting mitosis until the mitotic spindle is properly oriented along the mother-daughter polarity axis. Despite many experimental studies, the mechanisms underlying SPOC regulation remains elusive and unexplored theoretically...
May 21, 2018: Mathematical Biosciences
https://www.readbyqxmd.com/read/29792841/decarboxylation-of-ang-1-7-to-ala-1-ang-1-7-leads-to-significant-changes-in-pharmacodynamics
#10
Anja Tetzner, Maura Naughton, Kinga Gebolys, Jenny Eichhorst, Esther Sala, Óscar Villacañas, Thomas Walther
The heptapeptide angiotensin (Ang)-(1-7) is part of the beneficial arm of the renin-angiotensin system. Ang-(1-7) has cardiovascular protective effects, stimulates regeneration, and opposes the often detrimental effects of Ang II. We recently identified the G protein-coupled receptors Mas and MrgD as receptors for the heptapeptide. Ala1 -Ang-(1-7) (Alamandine), a decarboxylated form of Ang-(1-7), has similar vasorelaxant effects, but has been described to only stimulate MrgD. Therefore, this study aimed to characterise the consequences of the lack of the carboxyl group in amino acid 1 on intracellular signalling and to identify the receptor fingerprint for Ala1 -Ang-(1-7)...
May 21, 2018: European Journal of Pharmacology
https://www.readbyqxmd.com/read/29792808/eradication-of-established-tumors-by-chemically-self-assembled-nanoring-csan-targeted-t-cells
#11
Jacob Petersburg, Jingjing Shen, Clifford M Csizmar, Katherine A Murphy, Justin Spanier, Kari Gabrielse, Thomas S Griffith, Brian Fife, Carston R Wagner
Our laboratory has developed chemically self-assembled nanorings (CSANs) as prosthetic antigen receptors (PARs) for the non-genetic modification of T-cell surfaces. PARs have been successfully employed in vitro to activate T cells for the selective killing of leukemia cells. However, PAR efficacy has yet to be evaluated in vivo or against solid tumors. Therefore, we developed bispecific PARs that selectively target the human CD3 receptor and human Epithelial Cell Adhesion Molecule (EpCAM), which is overexpressed on multiple carcinomas and cancer stem cells...
May 24, 2018: ACS Nano
https://www.readbyqxmd.com/read/29792729/90-kvp-low-tube-voltage-ct-pulmonary-angiography-in-combination-with-advanced-modelled-iterative-reconstruction-algorithm-effects-on-radiation-dose-image-quality-and-diagnostic-accuracy-for-the-detection-of-pulmonary-embolism
#12
Doris Leithner, Tatjana Gruber-Rouh, Martin Beeres, Julian L Wichmann, Scherwin Mahmoudi, Simon S Martin, Lukas Lenga, Moritz H Albrecht, Christian Booz, Thomas J Vogl, Jan-Erik Scholtz
OBJECTIVE: To evaluate low-tube-voltage 90-kVp computed tomography pulmonary angiography (CTPA) with advanced modelled iterative reconstruction algorithm (Admire) compared to 120-kVp equivalent dual-energy acquisition with regards to radiation exposure, image quality, and diagnostic accuracy for pulmonary embolism (PE) assessment. METHODS: CTPA studies of 40 patients with suspected PE (56.7 ± 16.3 years) performed on a third-generation 192-slice dual-source CT scanner were retrospectively included...
May 24, 2018: British Journal of Radiology
https://www.readbyqxmd.com/read/29792710/measuring-the-adhesion-forces-for-the-multivalent-binding-of-vancomycin-conjugated-dendrimer-to-bacterial-cell-wall-peptide
#13
Elizabeth Peterson, Christine Joseph, Hannah Peterson, Rachael Bouwman, Shengzhuang Tang, Jayme Cannon, Kumar Sinniah, Seok Ki Choi
Multivalent ligand-receptor interaction provides the fundamental basis for the hypothetical notion that high binding avidity relates to the strong force of adhesion. Despite its increasing importance in the design of targeted nanoconjugates, an understanding of the physical forces underlying the multivalent interaction remains a subject of urgent investigation. In this study, we designed three vancomycin (Van)-conjugated dendrimers G5(Van)n (n = mean valency = 0, 1, 4) for bacterial targeting with generation 5 (G5) poly(amidoamine) dendrimer as a multivalent scaffold, and evaluated both their binding avidity and physical force of adhesion to a bacterial model surface by employing surface plasmon resonance (SPR) spectroscopy and atomic force microscopy (AFM)...
May 24, 2018: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/29792706/adaptable-detection-strategies-in-membrane-based-immunoassays-calibration-free-quantitation-with-surface-enhanced-raman-scattering-readout
#14
Aleksander Skuratovsky, Robert J Soto, Marc D Porter
This paper presents a method for immunometric biomarker quantitation that uses standard flow-through assay reagents and obviates the need for constructing a calibration curve. The approach relies on a nitrocellulose immunoassay substrate with multiple physical addresses for analyte capture, each modified with different amounts of an analyte-specific capture antibody. As such, each address generates a distinctly different readout signal that is proportional to the analyte concentration in the sample. To establish the feasibility of this concept, equations derived from antibody-antigen binding equilibrium were first applied in modeling experiments...
May 24, 2018: Analytical Chemistry
https://www.readbyqxmd.com/read/29792690/a-general-method-to-increase-stokes-shift-by-introducing-alternating-vibronic-structures
#15
Tian-Bing Ren, Wang Xu, Wei Zhang, Xing-Xing Zhang, Zhi-Yao Wang, Zhen Xiang, Lin Yuan, Xiaobing Zhang
Fluorescent dyes have enabled the progress of the broad biomedical fields. However, many commercially available dyes suffer from small Stokes shifts, resulting in poor signal-to-noise ratio and self-quenching on current microscope configuration. In this work, we have developed a general method to significantly increase the Stokes shifts of common fluorophores. By simply appending a 1,4-diethyl-decahydro-quinoxaline (DQ) moiety onto the conjugated structure, we introduced a vibronic backbone that could facilely expand the Stokes shifts, emission wavelength and photo-stability of eleven different fluorophores by more than 3-fold...
May 24, 2018: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/29792682/calix-4-arene-based-redox-sensitive-molecular-probe-for-sers-guided-recognition-of-labile-iron-pool-in-tumor-cells
#16
Padincharapad Sreedevi, Jyothi B Nair, Preethanuj Preethalayam, Benadicta S Jeeja, Cherumuttathu H Suresh, Kaustabh Kumar Maiti, Ramavarma Luxmi Varma
Targeting the intracellular 'labile' iron pool is turned as a key modulator for cancer progression since the former is responsible for several pathological processes in tumor cells. Herein, we report a non- fluorescent calix[4]arene based triazole appended molecular probe (PTBC) for redox-specific detection of Fe3+ under physiological condition by UV-vis, FT-IR, 1H NMR, HR-MS spectroscopies, ITC and the binding strategy between Calix[4]arene and Fe3+ was modeled by DFT calculations. As a new insight PTBC probe showed significant Raman fingerprint through surface enhanced Raman scattering (SERS) modality revealing the ultrasensitive detection of Fe3+ with a LOD of 2 nM...
May 24, 2018: Analytical Chemistry
https://www.readbyqxmd.com/read/29792478/acculturation-in-the-discourse-of-immigrants-and-receiving-community-members-results-from-a-cross-national-qualitative-study
#17
Angela Fedi, Terri Mannarini, Anne Brodsky, Alessia Rochira, Sara Buckingham, Lindsay Emery, Surbhi Godsay, Jill Scheibler, Anna Miglietta, Silvia Gattino
This study explores the bidirectional and interactional process of acculturation from the perspectives of immigrants and receiving community members (RCMs). Our aim was to understand the experiences and interactions of different ethno-cultural groups and their impact on the functioning and dynamics of multicultural communities. We conducted a cross-national, cross-cultural study of acculturation processes, using interviews collected across two countries (Italy: urban regions of Torino and Lecce; U.S.: Baltimore/Washington corridor) and three distinct groups of immigrants-Moroccans and Albanians in Italy and Latin Americans in the United States-and RCMs in Italy and the United States...
May 24, 2018: American Journal of Orthopsychiatry
https://www.readbyqxmd.com/read/29792447/the-source-model-of-group-threat-responding-to-internal-and-external-threats
#18
Katharine H Greenaway, Tegan Cruwys
We introduce a model of group threat that articulates the opposing effects of intergroup (between-groups) and intragroup (within-group) threat on identity processes and group relations. The source model of group threat argues that the perceived source of a threat is critical in predicting its consequences, such that perceptions of intergroup threat will strengthen (in)group identity processes and relations, whereas perceptions of intragroup threat has the potential to undermine the same. In addition to reviewing the large literature on intergroup threat and a smaller body of unsynthesized work on intragroup threat, we discuss how these processes are captured in representations of monsters (aliens, vampires, and zombies) in popular media and how these ideas can inform interpretation of current political debates, such as those around homegrown terrorism...
May 24, 2018: American Psychologist
https://www.readbyqxmd.com/read/29792310/bet-inhibition-overcomes-receptor-tyrosine-kinase-mediated-cetuximab-resistance-in-hnscc
#19
Brandon Leonard, Toni M Brand, Rachel A O'Keefe, Eliot Lee, Yan Zang, Jacquelyn D Kemmer, Hua Li, Jennifer R Grandis, Neil E Bhola
Cetuximab, the FDA-approved anti-EGFR antibody for head and neck squamous cell carcinoma (HNSCC), has displayed limited efficacy due to the emergence of intrinsic and acquired resistance. We and others have demonstrated that cetuximab resistance in HNSCC is driven by alternative receptor tyrosine kinases (RTK) including HER3, MET, and AXL. In an effort to overcome cetuximab resistance and circumvent toxicities associated with the administration of multiple RTK inhibitors, we sought to identify a common molecular target that regulates expression of multiple RTK...
May 23, 2018: Cancer Research
https://www.readbyqxmd.com/read/29792260/widening-participation-of-m%C3%A4-ori-and-pasifika-students-in-health-careers-evaluation-of-two-health-science-academies
#20
Lesley Middleton, Ausaga Faasalele Tanuvasa, Megan Pledger, Nicola Grace, Kirsten Smiler, Tua Taueetia Loto-Su'a, Jacqueline Cumming
Objective The aim of the present study was to evaluate the short-term outcomes of two health science academies established by a district health board in South Auckland, New Zealand, to create a health workforce pipeline for local Māori and Pasifika students. Methods A mixed-methods approach was used, involving background discussions with key informants to generate an initial logic model of how the academies work, followed by secondary analysis of students' records relating to retention and academic achievement, a survey of senior academy students' interest in particular health careers and face-to-face interviews and focus groups with students, families and teachers...
May 24, 2018: Australian Health Review: a Publication of the Australian Hospital Association
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