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https://www.readbyqxmd.com/read/28646413/integrated-in-silico-in-vitro-identification-and-characterization-of-the-sh3-mediated-interaction-between-human-pttg-and-its-cognate-partners-in-medulloblastoma
#1
Jiangang Liu, Dapeng Wang, Yanyan Li, Hui Yao, Nan Zhang, Xuewen Zhang, Fangping Zhong, Yulun Huang
The human pituitary tumor-transforming gene is an oncogenic protein which serves as a central hub in the cellular signaling network of medulloblastoma. The protein contains two vicinal PxxP motifs at its C terminus that are potential binding sites of peptide-recognition SH3 domains. Here, a synthetic protocol that integrated in silico analysis and in vitro assay was described to identify the SH3-binding partners of pituitary tumor-transforming gene in the gene expression profile of medulloblastoma. In the procedure, a variety of structurally diverse, non-redundant SH3 domains with high gene expression in medulloblastoma were compiled, and their three-dimensional structures were either manually retrieved from the protein data bank database or computationally modeled through bioinformatics technique...
June 24, 2017: Cell Biochemistry and Biophysics
https://www.readbyqxmd.com/read/28646332/a-rational-approach-for-the-improvement-of-biomass-production-and-lipid-profile-in-cacao-cell-suspensions
#2
Adriana María Gallego Rúa, Luisa Fernanda Rojas, Aura Ines Urrea Trujillo, Oriana Parra Zuleta, Cristian David Correa Alvarez, Lucía Atehortúa Garcés
Cocoa butter (CB) is produced in the seeds of Theobroma cacao representing 50% of its dry weight. The lipid composition plays an important role in the physicochemical, rheological, and sensory properties of the CB, making this fat a valuable resource for the production of chocolates, cosmetics, and pharmaceuticals. In this paper, are described experimental strategies used for a rational improvement of biomass production and fatty acids in cacao cell suspension cultures. First, the lipid profile in four cacao varieties is characterized, and then, one variety is selected to induce cell suspensions using a direct method without previous establishment of a callus phase...
June 23, 2017: Bioprocess and Biosystems Engineering
https://www.readbyqxmd.com/read/28645020/do-we-see-how-they-perceive-risk-an-integrated-analysis-of-risk-perception-and-its-effect-on-workplace-safety-behavior
#3
Nini Xia, Xueqing Wang, Mark A Griffin, Chunlin Wu, Bingsheng Liu
While risk perception is a key factor influencing safety behavior, the academia lacks specific attention to the ways that workers perceive risk, and thus little is known about the mechanisms through which different risk perceptions influence safety behavior. Most previous research in the workplace safety domain argues that people tend to perceive risk based on rational formulations of risk criticality. However, individuals' emotions can be also useful in understanding their perceptions. Therefore, this research employs an integrated analysis concerning the rational and emotional perspectives...
June 20, 2017: Accident; Analysis and Prevention
https://www.readbyqxmd.com/read/28644853/the-novel-phospholipid-mimetic-kpc34-is-highly-active-against-preclinical-models-of-philadelphia-chromosome-positive-acute-lymphoblastic-leukemia
#4
Peter M Alexander, David L Caudell, Gregory L Kucera, Kristin M Pladna, Timothy S Pardee
Philadelphia chromosome positive B cell acute lymphoblastic leukemia (Ph+ ALL) is an aggressive cancer of the bone marrow. The addition of tyrosine kinase inhibitors (TKIs) has improved outcomes but many patients still suffer relapse and novel therapeutic agents are needed. KPC34 is an orally available, novel phospholipid conjugate of gemcitabine, rationally designed to overcome multiple mechanisms of resistance, inhibit the classical and novel isoforms of protein kinase C, is able to cross the blood brain barrier and is orally bioavailable...
2017: PloS One
https://www.readbyqxmd.com/read/28644786/antecedents-and-consequences-of-medical-students-moral-decision-making-during-professionalism-dilemmas
#5
Lynn Monrouxe, Malissa Shaw, Charlotte Rees
Medical students often experience professionalism dilemmas (which differ from ethical dilemmas) wherein students sometimes witness and/or participate in patient safety, dignity, and consent lapses. When faced with such dilemmas, students make moral decisions. If students' action (or inaction) runs counter to their perceived moral values-often due to organizational constraints or power hierarchies-they can suffer moral distress, burnout, or a desire to leave the profession. If moral transgressions are rationalized as being for the greater good, moral distress can decrease as dilemmas are experienced more frequently (habituation); if no learner benefit is seen, distress can increase with greater exposure to dilemmas (disturbance)...
June 1, 2017: AMA Journal of Ethics
https://www.readbyqxmd.com/read/28644626/2d-h-bond-network-as-the-topmost-skin-to-the-air-water-interface
#6
Simone Pezzotti, Daria Ruth Galimberti, Marie-Pierre Gaigeot
We provide a detailed description of the structure of water at the interface with the air (liquid-vapor LV interface) from state-of-the-art DFT-based molecular dynamics simulations. For the first time, a two-dimensional (2D) H-bond extended network has been identified and fully characterized, demonstrating that interfacial water is organized into a 2D sheet with H-bonds oriented parallel to the instantaneous surface and following its spatial and temporal oscillations. By analyzing the nonlinear vSFG (vibrational sum frequency generation) spectrum of the LV interface in terms of layer-by-layer signal, we demonstrate that the 2D water sheet is solely responsible for the spectral signatures, hence providing the interfacial 3...
June 23, 2017: Journal of Physical Chemistry Letters
https://www.readbyqxmd.com/read/28644607/electrochemical-exfoliation-of-graphite-in-aqueous-sodium-halide-electrolytes-towards-low-oxygen-content-graphene-for-energy-and-environmental-applications
#7
Jose Maria Munuera, Juan Ignacio Paredes, Marina Enterria, Ana Pagán, Silvia Villar-Rodil, Manuel Fernando R Pereira, J I Martins, José L Figueiredo, Jose Luis Cenis, Amelia Martinez-Alonso, Juan Manuel D Tascon
Graphene and graphene-based materials have shown great promise in many technological applications, but their large-scale production and processing by simple and cost-effective means still constitute significant issues in the path of their widespread implementation. Here, we investigate a straightforward method for the preparation of a ready-to-use and low oxygen content graphene material that is based on electrochemical (anodic) delamination of graphite in aqueous medium with sodium halides as the electrolyte...
June 23, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28644502/au3-%C3%AE-3-s-0e-elementary-block-new-insights-into-ligated-gold-clusters-with-%C3%AE-3-sulfido-motifs
#8
Wen Wu Xu, Xiao Cheng Zeng, Yi Gao
An understanding of the structural stability and formation mechanism of ligated gold nanoclusters with triply coordinated μ3-sulfido (μ3-S) motifs is important not only for gold chemistry but also for the design of more effective catalysts or drug carriers for various applications. In this article, a new elementary block Au3(μ3-S) with zero valence electrons [referred to as Au3(μ3-S)(0e)] has been identified, which describes all crystallized ligated gold clusters with μ3-S motifs, in conjunction with the previously reported Au3(2e) and Au4(2e) elementary blocks, in a grand unified model (GUM)...
June 23, 2017: Nanoscale
https://www.readbyqxmd.com/read/28644501/stabilizing-amyloid-%C3%AE-peptide-by-the-n-terminus-capture-is-capable-of-preventing-and-eliminating-amyloid-%C3%AE-oligomers
#9
Gesi Wen, Daoyuan Chen, Wenjing Qin, Binhua Zhou, Youqiao Wang, Ziyi Liu, Jun Du, Qiang Zhou, Junmin Quan, Xianzhang Bu
Elimination of amyloid-β (Aβ) oligomers remains challenging. We describe here a novel strategy to prevent and eliminate the Aβ oligomers from either the early aggregation or the fibril dissolution pathway by targeting the flexible N-terminus, but not the widely investigated hydrophobic segment, with a rationally designed cyclopeptide.
June 23, 2017: Chemical Communications: Chem Comm
https://www.readbyqxmd.com/read/28643867/transfusion-transmitted-cmv-infection%C3%A2-%C3%A2-current-knowledge-and-future-perspectives
#10
REVIEW
M Ziemann, T Thiele
Transmission of human cytomegalovirus (CMV) via transfusion (TT-CMV) may still occur and remains a challenge in the treatment of immunocompromised CMV-seronegative patients, e.g. after stem cell transplantation, and for low birthweight infants. Measures to reduce the risk of TT-CMV have been evaluated in clinical studies, including leucocyte depletion of cellular blood products and/or the selection of CMV-IgG-negative donations. Studies in large blood donor cohorts indicate that donations from newly CMV-IgG-positive donors should bear the highest risk for transmitting CMV infections because they contain the highest levels of CMV-DNA, and early CMV antibodies cannot neutralise CMV...
June 23, 2017: Transfusion Medicine
https://www.readbyqxmd.com/read/28643389/combined-molecular-modelling-and-3d-qsar-study-for-understanding-the-inhibition-of-nqo1-by-heterocyclic-quinone-derivatives
#11
Claudia Lopez-Lira, Jans H Alzate-Morales, Margot Paulino, Jaime Mella-Raipán, Cristian O Salas, Ricardo A Tapia, Jorge Soto-Delgado
A combination of three-dimensional quantitative structure-activity relationship (3D-QSAR), and molecular modelling methods were used to understand the potent inhibitory NAD(P)H:quinone oxidoreductase 1 (NQO1) activity of a set of 52 heterocyclic quinones. Molecular docking results indicated that some favourable interactions of key amino acid residues at the binding site of NQO1 with these quinones, would be responsible for an improvement of the NQO1 activity of these compounds. The main interactions involved are hydrogen bond of the amino group of residue Tyr128, π-stacking interactions with Phe106 and Phe178, and electrostatic interactions with flavin adenine dinucleotide (FADH) cofactor...
June 23, 2017: Chemical Biology & Drug Design
https://www.readbyqxmd.com/read/28643177/targeting-dna-repair-and-replication-stress-in-the-treatment-of-ovarian-cancer
#12
REVIEW
Junko Murai
Approximately half of high-grade serous epithelial ovarian cancers incur alterations in genes of homologous recombination (BRCA1, BRCA2, RAD51C, Fanconi anemia genes), and the rest incur alterations in other DNA repair pathways at high frequencies. Such cancer-specific gene alterations can confer selective sensitivity to DNA damaging agents such as cisplatin and carboplatin, topotecan, etoposide, doxorubicin, and gemcitabine. Originally presumed to inhibit DNA repair, PARP inhibitors that have recently been approved by the FDA for the treatment of advanced ovarian cancer also act as DNA damaging agents by inducing PARP-DNA complexes...
June 22, 2017: International Journal of Clinical Oncology
https://www.readbyqxmd.com/read/28642957/superacid-promoted-synthesis-of-highly-porous-hypercrosslinked-polycarbazoles-for-efficient-co2-capture
#13
Xiang Zhu, Shunmin Ding, Carter W Abney, Katie L Browning, Robert L Sacci, Gabriel M Veith, Chengcheng Tian, Sheng Dai
A superacid-promoted "knitting" strategy has been developed for the generation of a novel family of hypercrosslinked nanoporous polycarbazoles for efficient CO2 capture. Using trifluoromethanesulfonic acid, a Brønsted superacid, we demonstrate the facile and rapid synthesis of highly porous polycarbazoles with BET surface areas as high as 1688 m(2) g(-1), and capable of adsorbing 3.5 mmol g(-1) of CO2 at 298 K and 1 bar. This impressive result bestows the material with the highest CO2 uptake capacity for all nanoporous carbazolic polymers and ranks among the best by known porous organic polymers under this condition...
June 23, 2017: Chemical Communications: Chem Comm
https://www.readbyqxmd.com/read/28642723/when-the-heat-is-on-the-effect-of-temperature-on-voter-behavior-in-presidential-elections
#14
Jasper Van Assche, Alain Van Hiel, Jonas Stadeus, Brad J Bushman, David De Cremer, Arne Roets
Hot temperatures lead to heightened arousal. According to excitation transfer theory, arousal can increase both antisocial and prosocial behavior, depending on the context. Although many studies have shown that hot temperatures can increase antisocial behavior, very few studies have investigated the relationship between temperature and prosocial behavior. One important prosocial behavior is voting. We analyzed state-level data from the United States presidential elections (N = 761). Consistent with excitation transfer theory, which proposes that heat-induced arousal can transfer to other activities and strengthen those activities, changes in temperature and voter turnout were positively related...
2017: Frontiers in Psychology
https://www.readbyqxmd.com/read/28642635/virtual-screening-following-rational-drug-design-based-approach-for-introducing-new-anti-amyloid-beta-aggregation-agent
#15
Garshasb Rigi, Mohammad Vala Ashdar Nakhaei, Hoda Eidipour, Arshia Najimi, Fahimeh Tajik, Niloufar Taher, Kamran Yarahmadi
Amyloid β (Aβ) sheets aggregations is the main reason of Alzheimer disease. The interacting areas between monomers are residue number 38 to 42. Inhibition of interaction between Aβ molecules prevents plaque formation. In the present study, we have performed a high-throughput virtual screening among ZINC database and top 1000 hits were checked again regarding binding affinity by AutoDock software. Top 4 successive second step screening hits was considered for drug design purpose against aggregation site of Aβ molecules...
2017: Bioinformation
https://www.readbyqxmd.com/read/28642604/turning-the-tide-in-myelodysplastic-myeloproliferative-neoplasms
#16
REVIEW
Michael W N Deininger, Jeffrey W Tyner, Eric Solary
Myelodysplastic syndromes/myeloproliferative neoplasms (MDS/MPN) are aggressive myeloid malignancies recognized as a distinct category owing to their unique combination of dysplastic and proliferative features. Although current classification schemes still emphasize morphology and exclusionary criteria, disease-defining somatic mutations and/or germline predisposition alleles are increasingly incorporated into diagnostic algorithms. The developing picture suggests that phenotypes are driven mostly by epigenetic mechanisms that reflect a complex interplay between genotype, physiological processes such as ageing and interactions between malignant haematopoietic cells and the stromal microenvironment of the bone marrow...
June 23, 2017: Nature Reviews. Cancer
https://www.readbyqxmd.com/read/28642368/the-influence-of-disulfide-bonds-on-the-mechanical-stability-of-proteins-is-context-dependent
#17
Aitor Manteca, Álvaro Alonso-Caballero, Marie Fertin, Simon Poly, David De Sancho, Raul Perez-Jimenez
Disulfide bonds play a crucial role in proteins, modulating their stability and constraining their conformational dynamics. A particularly important case is that of proteins that need to withstand forces arising from their normal biological function and that are often disulfide bonded. However, the influence of disulfides on the overall mechanical stability of proteins is poorly understood. Here, we used single-molecule force spectroscopy (smFS) to study the role of disulfide bonds in different mechanical proteins in terms of their unfolding forces...
June 22, 2017: Journal of Biological Chemistry
https://www.readbyqxmd.com/read/28641602/milk-replacers-supplemented-with-either-l-arginine-or-l-carnitine-potentially-improve-muscle-maturation-of-early-reared-low-birth-weight-piglets-from-hyperprolific-sows
#18
J G Madsen, S Mueller, M Kreuzer, M B Bigler, P Silacci, G Bee
As a result of the selection for genotypes with greater sow prolificacy, litter size increased and, concomitantly, average litter birth weight and early postnatal survival rates of low birth weight (L-BtW) offspring decreased. This study compared the impact of l-carnitine (CAR) and l-arginine (ARG) supplemented with a milk replacer and fed to L-BtW piglets born from large litters from days 7 to 28 of age on growth performance, carcass composition, organ and Semitendinosus muscle (STM) development. A total of 30 female and castrated Swiss Large White piglets weaned at 7 days of age were assigned to three milk replacer diets containing either no supplement (CON), CAR (0...
June 23, 2017: Animal: An International Journal of Animal Bioscience
https://www.readbyqxmd.com/read/28641563/pentapeptide-prosequence-enhances-expression-and-structure-folding-of-recombinant-thermomyces-lanuginosus-lipase-in-pichia-pastoris
#19
Haiying Cai, Minjie Zhao, Yang Li, Jianwei Mao, Chenggang Cai, Fengqin Feng
Propeptides have been demonstrated to influence many properties of their mature proteins as intramolecular chaperones. In our study, the role of pentapeptide prosequence of Thermomyces lanuginosus lipase (TLL) was determined through its effect on the recombinant expression of TLL in P. pastoris. The result showed that the average lipase activity of recombinant strains GS-pTL reached 434.32 U/mL, higher than that of GS-TL 377.71 U/mL, indicating that the propeptide "SPIRR-" sequence is beneficial for enhancing TLL expression...
June 21, 2017: Protein and Peptide Letters
https://www.readbyqxmd.com/read/28641436/doping-as-a-means-to-probe-the-potential-dependence-of-dopamine-adsorption-on-carbon-based-surfaces-a-first-principles-study
#20
Anja Aarva, Tomi Laurila, Miguel A Caro
In this work, we study the adsorption characteristics of dopamine (DA), ascorbic acid (AA), and dopaminequinone (DAox) on carbonaceous electrodes. Our goal is to obtain a better understanding of the adsorption behavior of these analytes in order to promote the development of new carbon-based electrode materials for sensitive and selective detection of dopamine in vivo. Here we employ density functional theory-based simulations to reach a level of detail that cannot be achieved experimentally. To get a broader understanding of carbonaceous surfaces with different morphological characteristics, we compare three materials: graphene, diamond, and amorphous carbon (a-C)...
June 21, 2017: Journal of Chemical Physics
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