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https://www.readbyqxmd.com/read/28214932/theoretical-and-experimental-study-of-polycyclic-aromatic-compounds-as-%C3%AE-tubulin-inhibitors
#1
Fabian E Olazarán, Carlos A García-Pérez, Debasish Bandyopadhyay, Isaias Balderas-Rentería, Angel D Reyes-Figueroa, Lars Henschke, Gildardo Rivera
In this work, through a docking analysis of compounds from the ZINC chemical library on human β-tubulin using high performance computer cluster, we report new polycyclic aromatic compounds that bind with high energy on the colchicine binding site of β-tubulin, suggesting three new key amino acids. However, molecular dynamic analysis showed low stability in the interaction between ligand and receptor. Results were confirmed experimentally in in vitro and in vivo models that suggest that molecular dynamics simulation is the best option to find new potential β-tubulin inhibitors...
March 2017: Journal of Molecular Modeling
https://www.readbyqxmd.com/read/28214610/virosome-bound-antigen-enhances-dc-dependent-specific-cd4-t-cell-stimulation-inducing-a-th1-and-treg-profile-in-vitro
#2
Rebecca A M Blom, Mario Amacker, Christian Moser, R Maarten van Dijk, Raffaela Bonetti, Emilie Seydoux, Sean R R Hall, Christophe von Garnier, Fabian Blank
There is considerable interest to develop antigen-carriers for immune-modulatory clinical applications, but insufficient information is available on their effects on antigen-presenting cells. We employed virosomes coupled to ovalbumin (OVA) to study their interaction with murine bone marrow-derived dendritic cells (BMDCs) and modulation of downstream T cell responses. BMDCs were treated in vitro with virosomes or liposomes prior to determining BMDC phenotype, viability, and intra-cellular trafficking. Antigen-specific CD4(+) T cell activation was measured by co-culture of BMDCs with DO11...
February 15, 2017: Nanomedicine: Nanotechnology, Biology, and Medicine
https://www.readbyqxmd.com/read/28214538/contemporary-animal-models-of-cardiac-arrest-a-systematic-review
#3
REVIEW
Mikael Vognsen, Bjørn K Fabian-Jessing, Niels Secher, Bo Løfgren, Cameron Dezfulian, Lars W Andersen, Asger Granfeldt
AIM OF THE STUDY: Animal models are widely used in cardiac arrest research. This systematic review aimed to provide an overview of contemporary animal models of cardiac arrest. METHODS: Using a comprehensive research strategy, we searched PubMed and EMBASE from March 8, 2011 to March 8, 2016 for cardiac arrest animal models. Two investigators reviewed titles and abstracts for full text inclusions from which data were extracted according to pre-defined definitions...
February 15, 2017: Resuscitation
https://www.readbyqxmd.com/read/28213570/blunted-transcriptional-response-to-skeletal-muscle-ischemia-in-rats-with-chronic-kidney-disease-potential-role-for-impaired-ischemia-induced-angiogenesis
#4
Rafael U Heiss, Fabian Fahlbusch, Johannes Jacobi, Christoph Daniel, Arif B Ekici, Nada Cordasic, Kerstin Amann, Andrea Hartner, Karl F Hilgers
Chronic kidney disease (CKD) is associated with increased cardiovascular morbidity and mortality. Previous studies indicated an impairment of ischemia-induced angiogenesis in skeletal muscle of rats with CKD. We performed a systematic comparison of early gene expression in response to ischemia in rats with or without CKD to identify potential molecular mechanisms underlying impaired angiogenesis in CKD. CKD was induced in male rats by 5/6 nephrectomy (SNX); control rats were sham operated (sham). Eight weeks later, ischemia of the right limb was induced by ligation and resection of the femoral artery...
February 17, 2017: Physiological Genomics
https://www.readbyqxmd.com/read/28213204/a-description-of-an-obesogenic-eating-style-that-promotes-higher-energy-intake-and-is-associated-with-greater-adiposity-in-4-5year-old-children-results-from-the-gusto-cohort
#5
Anna Fogel, Ai Ting Goh, Lisa R Fries, Suresh Anand Sadananthan, S Sendhil Velan, Navin Michael, Mya Thway Tint, Marielle Valerie Fortier, Mei Jun Chan, Jia Ying Toh, Yap-Seng Chong, Kok Hian Tan, Fabian Yap, Lynette P Shek, Michael J Meaney, Birit F P Broekman, Yung Seng Lee, Keith M Godfrey, Mary Foong Fong Chong, Ciarán G Forde
Recent findings confirm that faster eating rates support higher energy intakes within a meal and are associated with increased body weight and adiposity in children. The current study sought to identify the eating behaviours that underpin faster eating rates and energy intake in children, and to investigate their variations by weight status and other individual differences. Children (N=386) from the Growing Up in Singapore towards Healthy Outcomes (GUSTO) cohort took part in a video-recorded ad libitum lunch at 4...
February 14, 2017: Physiology & Behavior
https://www.readbyqxmd.com/read/28212300/amorphous-amorphous-phase-separation-in-api-polymer-formulations
#6
Christian Luebbert, Fabian Huxoll, Gabriele Sadowski
The long-term stability of pharmaceutical formulations of poorly-soluble drugs in polymers determines their bioavailability and therapeutic applicability. However, these formulations do not only often tend to crystallize during storage, but also tend to undergo unwanted amorphous-amorphous phase separations (APS). Whereas the crystallization behavior of APIs in polymers has been measured and modeled during the last years, the APS phenomenon is still poorly understood. In this study, the crystallization behavior, APS, and glass-transition temperatures formulations of ibuprofen and felodipine in polymeric PLGA excipients exhibiting different ratios of lactic acid and glycolic acid monomers in the PLGA chain were investigated by means of hot-stage microscopy and DSC...
February 15, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/28210738/highly-efficient-cold-white-light-emission-in-a-au2cucl2-p%C3%A2-n-2-pf6-type-salt
#7
Elnaz Hobbollahi, Manuela List, Benjamin Hupp, Fabian Mohr, Raphael J F Berger, Andreas Steffen, Uwe Monkowius
In the trinuclear, heterometallic cluster compound [Au2CuCl2(P∩N)2]PF6 metallophilic interactions give rise to very efficient cold-white light emission as a result of at least two thermally non-equilibrated emissive triplet states (one of mainly Cu → py and the other of Au → py character, respectively) with exceptional spin-orbit coupling and short emission lifetimes, which are competitive to Pt(II)- and Ir(III)-based emitters.
February 17, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/28210230/acute-mental-discomfort-associated-with-suicide-behavior-in-a-clinical-sample-of-patients-with-affective-disorders-ascertaining-critical-variables-using-artificial-intelligence-tools
#8
Susana Morales, Jorge Barros, Orietta Echávarri, Fabián García, Alex Osses, Claudia Moya, María Paz Maino, Ronit Fischman, Catalina Núñez, Tita Szmulewicz, Alemka Tomicic
AIM: In efforts to develop reliable methods to detect the likelihood of impending suicidal behaviors, we have proposed the following. OBJECTIVE: To gain a deeper understanding of the state of suicide risk by determining the combination of variables that distinguishes between groups with and without suicide risk. METHOD: A study involving 707 patients consulting for mental health issues in three health centers in Greater Santiago, Chile. Using 345 variables, an analysis was carried out with artificial intelligence tools, Cross Industry Standard Process for Data Mining processes, and decision tree techniques...
2017: Frontiers in Psychiatry
https://www.readbyqxmd.com/read/28209640/quantized-thermal-transport-in-single-atom-junctions
#9
Longji Cui, Wonho Jeong, Sunghoon Hur, Manuel Matt, Jan C Klöckner, Fabian Pauly, Peter Nielaba, Juan Carlos Cuevas, Edgar Meyhofer, Pramod Reddy
Thermal transport in individual atomic junctions and chains is of great fundamental interest due to unique quantum effects expected to arise in them. Here, by employing novel, custom-fabricated, picowatt-resolution calorimetric scanning probes, we measure the thermal conductance of gold and platinum metallic wires down to single-atom junctions. Our work reveals that the thermal conductance of gold single atom junctions is quantized at room temperature and shows that the Wiedemann-Franz law relating thermal and electrical conductance is satisfied even in single-atom contacts...
February 16, 2017: Science
https://www.readbyqxmd.com/read/28208388/nonequilibrium-markov-state-modeling-of-the-globule-stretch-transition
#10
Fabian Knoch, Thomas Speck
We describe a systematic approach to construct coarse-grained Markov state models from molecular dynamics data of systems driven into a nonequilibrium steady state. We apply this method to study the globule-stretch transition of a single tethered model polymer in shear flow. The folding and unfolding rates of the coarse-grained model agree with the original detailed model. We demonstrate that the folding and unfolding proceeds through the same narrow region of configuration space but along different cycles.
January 2017: Physical Review. E
https://www.readbyqxmd.com/read/28206967/calcium-regulatory-proteins-as-modulators-of-chemotherapy-in-human-neuroblastoma
#11
Ana-Maria Florea, Elizabeth Varghese, Jennifer E McCallum, Safa Mahgoub, Irfan Helmy, Sharon Varghese, Neha Gopinath, Steffen Sass, Fabian J Theis, Guido Reifenberger, Dietrich Büsselberg
Neuroblastoma (NB) is a pediatric cancer treated with poly-chemotherapy including platinum complexes (e.g. cisplatin (CDDP), carboplatin), DNA alkylating agents, and topoisomerase I inhibitors (e.g. topotecan (TOPO)). Despite aggressive treatment, NB may become resistant to chemotherapy. We investigated whether CDDP and TOPO treatment of NB cells interacts with the expression and function of proteins involved in regulating calcium signaling. Human neuroblastoma cell lines SH-SY5Y, IMR-32 and NLF were used to investigate the effects of CDDP and TOPO on cell viability, apoptosis, calcium homeostasis, and expression of selected proteins regulating intracellular calcium concentration ([Ca2+]i)...
February 11, 2017: Oncotarget
https://www.readbyqxmd.com/read/28205614/cxcr2-deficient-mice-display-macrophage-dependent-exaggerated-acute-inflammatory-responses
#12
Douglas P Dyer, Kenneth Pallas, Laura Medina Ruiz, Fabian Schuette, Gillian J Wilson, Gerard J Graham
CXCR2 is an essential regulator of neutrophil recruitment to inflamed and damaged sites and plays prominent roles in inflammatory pathologies and cancer. It has therefore been highlighted as an important therapeutic target. However the success of the therapeutic targeting of CXCR2 is threatened by our relative lack of knowledge of its precise in vivo mode of action. Here we demonstrate that CXCR2-deficient mice display a counterintuitive transient exaggerated inflammatory response to cutaneous and peritoneal inflammatory stimuli...
February 16, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28205399/synthesis-characterization-and-relaxation-studies-of-gd-do3a-conjugate-of-chlorambucil-as-a-potential-theranostic-agent
#13
Jasleen Kaur, Yoanna Tsvetkova, Karim Arroub, Sabri Sahnoun, Fabian Kiessling, Sanjay Mathur
DO3A-based macrocycles serve as attractive templates from which clinically useful theranostic agents can be obtained after coupling with molecular targeted therapeutic drugs. In this study, we describe the chemical synthesis, relaxation, and cytotoxicity studies of a new DO3A conjugate of chlorambucil (CHL) as a magnetic resonance imaging (MRI) theranostic agent. A convenient route of synthesis is reported, which allowed conjugation of the macrocyclic ligand (DO3A) to the chemotherapeutic drug (CHL) via tyrosine for the preparation of an attractive chelate-drug ensemble (DO3A-TR-CHL)...
February 2017: Chemical Biology & Drug Design
https://www.readbyqxmd.com/read/28203677/new-lithium-borates-with-bistetrazolato-2-and-pyrazinediolato-2-ligands-potentially-interesting-lithium-electrolyte-additives
#14
Lars H Finger, Alexander Venker, Fabian G Schröder, Jörg Sundermeyer
We present a convenient synthesis of the first silylated bistetrazole via a catalyzed twin [2 + 3] cycloaddition of TMS-azide at cyanogen and its application to access bistetrazolatoborates, structurally characterized by a unique unsaturated ten-membered B2N4C4 heterocyclic system. Furthermore, new borate anions with two pyrazine-2,3-diolato ligands were synthesized from tetrafluoroborate salts and structurally characterized. Their organic cation can be exchanged for Li(+)via cation exchange. The conceptual relation of these new salts to lithium ion battery bisoxalalatoborate additive LiBOB, a prominent solid electrolyte interface (SEI) generator, is discussed...
February 16, 2017: Dalton Transactions: An International Journal of Inorganic Chemistry
https://www.readbyqxmd.com/read/28203658/ionic-conductivity-and-mixed-ion-effect-in-mixed-alkali-metaphosphate-glasses
#15
Jefferson Esquina Tsuchida, Fabio Aparecido Ferri, Paulo Sergio Pizani, Ana Candida Martins Rodrigues, Swarup Kundu, José Fabián Schneider, Edgar Dutra Zanotto
In this work, mixed alkali metaphosphate glasses based on K-Na, Rb-Na, Rb-Li, Cs-Na and Cs-Li combinations were studied by differential scanning calorimetry (DSC), complex impedance spectroscopy, and Raman spectroscopy. DSC analyses show that both the glass transition (Tg) and melting temperatures (Tm) exhibit a clear mixed-ion effect. The ionic conductivity shows a strong mixed-ion effect and decreases by more than six orders of magnitude at room temperature for Rb-Na or Cs-Li alkali pairs. This study confirms that the mixed-ion effect may be explained as a natural consequence of random ion mixing because ion transport is favoured between well-matched energy sites and is impeded due to the structural mismatch between neighbouring sites for dissimilar ions...
February 16, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28202637/supplemental-selenium-may-decrease-ovarian-cancer-risk-in-african-american-women
#16
Paul D Terry, Bo Qin, Fabian Camacho, Patricia G Moorman, Anthony J Alberg, Jill S Barnholtz-Sloan, Melissa Bondy, Michele L Cote, Ellen Funkhouser, Kristin A Guertin, Edward S Peters, Ann G Schwartz, Joellen M Schildkraut, Elisa V Bandera
Background: To our knowledge, no previous study has evaluated the associations of antioxidant intake with the risk of ovarian cancer in African-American women, who are known to have high mortality from the disease.Objective: We sought to evaluate these associations among 406 ovarian cancer cases and 632 age- and site-matched controls of African-American descent recruited from AACES (African American Cancer Epidemiology Study), a population-based, case-control study in 11 geographical areas within the United States...
February 15, 2017: Journal of Nutrition
https://www.readbyqxmd.com/read/28201746/evaluating-the-significance-of-density-localization-and-pd-1-pd-l1-immunopositivity-of-mononuclear-cells-in-the-clinical-course-of-lung-adenocarcinoma-patients-with-brain-metastasis
#17
Vanda Téglási, Lilla Reiniger, Katalin Fábián, Orsolya Pipek, Irén Csala, Attila G Bagó, Péter Várallyai, Laura Vízkeleti, Lívia Rojkó, József Tímár, Balázs Döme, Zoltán Szállási, Charles Swanton, Judit Moldvay
No abstract text is available yet for this article.
February 13, 2017: Neuro-oncology
https://www.readbyqxmd.com/read/28199041/feasibility-of-accelerated-simultaneous-multislice-diffusion-weighted-mri-of-the-prostate
#18
Jakob Weiss, Petros Martirosian, Jana Taron, Ahmed E Othman, Thomas Kuestner, Michael Erb, Jens Bedke, Fabian Bamberg, Konstantin Nikolaou, Mike Notohamiprodjo
PURPOSE: To assess the feasibility of simultaneous multislice (SMS) single-shot echo-planar-imaging (EPI) for accelerated diffusion-weighted imaging (DWI) of the prostate. MATERIALS AND METHODS: For phantom measurements a dedicated DWI phantom with different sucrose concentrations was used. In addition, 10 volunteers and 16 patients with suspected prostate cancer were examined for in vivo measurements. All examinations were performed with a 3T magnetic resonance imaging (MRI) system...
February 15, 2017: Journal of Magnetic Resonance Imaging: JMRI
https://www.readbyqxmd.com/read/28198357/cgcorrect-a-method-to-correct-for-confounding-cell-cell-variation-due-to-cell-growth-in-single-cell-transcriptomics
#19
Thomas Blasi, Florian Buettner, Michael Strasser, Carsten Marr, Fabian Theis
MOTIVATION: Accessing gene expression at the single cell level has unraveled often large heterogeneity among seemingly homogeneous cells, which remained obscured in traditional population based approaches. The computational analysis of single-cell transcriptomics data, however, still imposes unresolved challenges with respect to normalization, visualization and modeling the data. One such issue are differences in cell size, which introduce additional variability into the data, for which appropriate normalization techniques are needed...
February 15, 2017: Physical Biology
https://www.readbyqxmd.com/read/28196690/gata6-plays-an-important-role-in-the-induction-of-human-definitive-endoderm-development-of-the-pancreas-and-functionality-of-pancreatic-%C3%AE-%C3%A2-cells
#20
Amita Tiyaboonchai, Fabian L Cardenas-Diaz, Lei Ying, Jean Ann Maguire, Xiuli Sim, Chintan Jobaliya, Alyssa L Gagne, Siddharth Kishore, Diana E Stanescu, Nkecha Hughes, Diva D De Leon, Deborah L French, Paul Gadue
Induced pluripotent stem cells were created from a pancreas agenesis patient with a mutation in GATA6. Using genome-editing technology, additional stem cell lines with mutations in both GATA6 alleles were generated and demonstrated a severe block in definitive endoderm induction, which could be rescued by re-expression of several different GATA family members. Using the endodermal progenitor stem cell culture system to bypass the developmental block at the endoderm stage, cell lines with mutations in one or both GATA6 alleles could be differentiated into β-like cells but with reduced efficiency...
February 8, 2017: Stem Cell Reports
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