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https://www.readbyqxmd.com/read/28239737/splitting-methanol-on-ultra-thin-mgo-100-films-deposited-on-a-mo-substrate
#1
Zhenjun Song, Hu Xu
The dissociation reaction of methanol on metal-supported MgO(100) films has been studied by employing density functional theory calculations. As far as we know, the dissociation of a single methanol molecule over inert oxide insulators such as MgO has not yet been successfully realized without the introduction of defects or low coordinated atoms. By depositing ultra-thin oxide films on a Mo substrate, we have successfully proposed the dissociative state of methanol. The dissociation reaction is energetically exothermic and nearly barrierless...
February 27, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28239721/broad-scope-gold-i-catalysed-polyenyne-cyclisations-for-the-formation-of-up-to-four-carbon-carbon-bonds
#2
Zhouting Rong, Antonio M Echavarren
The polycyclisation of polyenynes catalyzed by gold(i) has been extended for the first time to the simultaneous formation of up to four carbon-carbon bonds, leading to steroid-like molecules with high stereoselectivity in a single step with low catalyst loadings. In addition to terminal alkynes, bromoalkynes can also be used as initiators of polyene cyclisations, giving rise to synthetically useful cyclic bromoalkenes.
February 27, 2017: Organic & Biomolecular Chemistry
https://www.readbyqxmd.com/read/28239716/h-bonding-controls-the-emission-properties-of-functionalized-carbon-nano-dots
#3
Soumalya Mukherjee, Edamana Prasad, Anju Chadha
Bathochromic and hypsochromic shifts in the photo-luminescent spectra of doped and functionalized carbon nano-dots (CDs) arise due to the complex interaction between CDs and the solvent molecules around them. Nitrogen-functionalized carbon nano-dots (N-CDs) were synthesized from citric acid and urea using microwave assisted hydrothermal methods. Optical studies (absorption and photoluminescence) from the as-synthesized N-CDs were carried out in polar protic, aprotic and non-polar solvents. When excited at 355 nm, blue photoluminescence (PL) was observed from the N-CDs dispersed in polar aprotic solvents while green emission was observed in polar protic solvents...
February 27, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28239705/chemical-communication-and-dynamics-of-droplet-emulsions-in-networks-of-belousov-zhabotinsky-micro-oscillators-produced-by-microfluidics
#4
Kristian Torbensen, Federico Rossi, Sandra Ristori, Ali Abou-Hassan
Chemical communication leading to synchronization and collective behaviour of dynamic elements, such as cell colonies, is a widespread phenomenon with biological, physical and chemical importance. Such synchronization between elements proceeds via chemical communication by emmision, interdiffusion and reception of specific messenger molecules. On a lab scale, these phenomena can be modeled by encapsulating an oscillating chemical reaction, which serves as a signal (information) sender/receiver element, inside microcompartments such as droplet emulsions, liposomes and polymersomes...
February 27, 2017: Lab on a Chip
https://www.readbyqxmd.com/read/28239644/hla-dq-%C3%AE-1-alleles-associated-with-epstein-barr-virus-ebv-infectivity-and-ebv-gp42-binding-to-cells
#5
Qingxue Li, Wei Bu, Erin Gabriel, Fiona Aguilar, Yo Hoshino, Hiroko Miyadera, Christoph Hess, Ronald L Hornung, Amitava Roy, Jeffrey I Cohen
Epstein-Barr virus (EBV) infects B cells and ~95% of adults are infected. EBV glycoprotein gp42 is essential for entry of virus into B cells. EBV gp42 binds to the β1 chain of HLA-DQ, -DR, and -DP on B cells, and uses these molecules for infection. To investigate if certain HLA-DQ alleles are associated with EBV seronegativity, we recruited ~3,300 healthy adult blood donors, identified 106 EBV-seronegative individuals, and randomly selected a control group of EBV-seropositive donors from the donor pool. A larger than expected proportion of EBV-seronegative subjects were HLA-DQ β1 *04/*05 and *06/*06, and to a lesser extent, *02/*03, compared with the control group, while a larger than expected portion of EBV-seropositive persons were HLA-DQ β1 *02/*02...
February 23, 2017: JCI Insight
https://www.readbyqxmd.com/read/28239616/optimization-of-nanoparticle-based-sers-substrates-through-large-scale-realistic-simulations
#6
Diego M Solís, José M Taboada, Fernando Obelleiro, Luis M Liz-Marzán, F Javier García de Abajo
Surface-enhanced Raman scattering (SERS) has become a widely used spectroscopic technique for chemical identification, providing unbeaten sensitivity down to the single-molecule level. The amplification of the optical near field produced by collective electron excitations -plasmons- in nanostructured metal surfaces gives rise to a dramatic increase by many orders of magnitude in the Raman scattering intensities from neighboring molecules. This effect strongly depends on the detailed geometry and composition of the plasmon-supporting metallic structures...
February 15, 2017: ACS Photonics
https://www.readbyqxmd.com/read/28239431/tuning-localized-surface-plasmon-resonance-wavelengths-of-silver-nanoparticles-by-mechanical-deformation
#7
Fathima S Ameer, Shilpa Varahagiri, Donald W Benza, Daniel R Willett, Yimei Wen, Fenglin Wang, George Chumanov, Jeffrey N Anker
We describe a simple technique to alter the shape of silver nanoparticles (AgNPs) by rolling a glass tube over them to mechanically compress them. The resulting shape change in turn induces a red-shift in the localized surface plasmon resonance (LSPR) scattering spectrum and exposes new surface area. The flattened particles were characterized by optical and electron microscopy, single nanoparticle scattering spectroscopy, and surface enhanced Raman spectroscopy (SERS). AFM and SEM images show that the AgNPs deform into discs; increasing the applied load from 0 to 100 N increases the AgNP diameter and decreases the height...
September 22, 2016: Journal of Physical Chemistry. C, Nanomaterials and Interfaces
https://www.readbyqxmd.com/read/28239291/single-molecule-localization-microscopy-of-dna-damage-response-pathways-in-cancer
#8
Donna R Whelan, Yandong Yin, Keria Bermudez-Hernandez, Sarah Keegan, David Fenyö, Eli Rothenberg
No abstract text is available yet for this article.
July 2016: Microscopy and Microanalysis
https://www.readbyqxmd.com/read/28238563/the-development-and-use-of-vascular-targeted-therapy-in-ovarian-cancer
#9
REVIEW
Dana M Chase, David J Chaplin, Bradley J Monk
Combination vascular-targeted therapies (VTTs) represent a promising approach for patients with platinum-resistant recurrent ovarian cancer (OC). VTTs include two mechanistically distinct classes of agents: anti-angiogenic agents (AAs) and vascular-disrupting agents (VDAs). AAs suppress growth of new tumor vasculature through inhibition of vascular endothelial growth factor (VEGF) and other pro-angiogenic molecules. Bevacizumab, a monoclonal antibody that binds to VEGF, has improved progression-free survival (PFS) when given with chemotherapy in patients with advanced OC...
February 23, 2017: Gynecologic Oncology
https://www.readbyqxmd.com/read/28238471/structural-basis-of-substrate-recognition-by-the-multidrug-resistance-protein-mrp1
#10
Zachary Lee Johnson, Jue Chen
The multidrug resistance protein MRP1 is an ATP-binding cassette (ABC) transporter that confers resistance to many anticancer drugs and plays a role in the disposition and efficacy of several opiates, antidepressants, statins, and antibiotics. In addition, MRP1 regulates redox homeostasis, inflammation, and hormone secretion. Using electron cryomicroscopy, we determined the molecular structures of bovine MRP1 in two conformations: an apo form at 3.5 Å without any added substrate and a complex form at 3.3 Å with one of its physiological substrates, leukotriene C4...
February 22, 2017: Cell
https://www.readbyqxmd.com/read/28238203/population-pharmacokinetic-modeling-of-jnj-53718678-a-novel-fusion-inhibitor-for-the-treatment-of-respiratory-syncytial-virus-results-from-a-phase-i-double-blind-randomized-placebo-controlled-first-in-human-study-in-healthy-adult-subjects
#11
Dymphy R H Huntjens, Sivi Ouwerkerk-Mahadevan, Anne Brochot, Sarah Rusch, Marita Stevens, Rene Verloes
BACKGROUND: JNJ-53718678 is a potent small-molecule inhibitor of the F-glycoprotein-mediated complex membrane fusion process of the respiratory syncytial virus. Here, we report the pharmacokinetics, the population pharmacokinetic modeling, and the safety and tolerability of JNJ-53718678 from the first-in-human, double-blind, randomized, placebo-controlled phase I study. METHODS: Healthy subjects were randomized (6:3) into five single-dose groups (25-1000 mg) or three multiple-dose groups [250 mg every 24 h (q24h), 500 mg q24h, 250 mg every 12 h; fed conditions for 8 days] to receive JNJ-53718678 or placebo...
February 25, 2017: Clinical Pharmacokinetics
https://www.readbyqxmd.com/read/28238136/antibody-conjugated-single-quantum-dot-tracking-of-membrane-neurotransmitter-transporters-in-primary-neuronal-cultures
#12
Danielle M Bailey, Oleg Kovtun, Sandra J Rosenthal
Single particle tracking (SPT) experiments have provided the scientific community with invaluable single-molecule information about the dynamic regulation of individual receptors, transporters, kinases, lipids, and molecular motors. SPT is an alternative to ensemble averaging approaches, where heterogeneous modes of motion might be lost. Quantum dots (QDs) are excellent probes for SPT experiments due to their photostability, high brightness, and size-dependent, narrow emission spectra. In a typical QD-based SPT experiment, QDs are bound to the target of interest and imaged for seconds to minutes via fluorescence video microscopy...
2017: Methods in Molecular Biology
https://www.readbyqxmd.com/read/28238127/ligand-exchange-and-1-h-nmr-quantification-of-single-and-mixed-moiety-thiolated-ligand-shells-on-gold-nanoparticles
#13
Ashley M Smith, Jill E Millstone
The use of nanoparticles in biomedicine critically depends on their surface chemistry. For metal nanoparticles, a common way to tune this surface chemistry is through mass action ligand exchange, where ligand exchange can be used to expand the functionality of the resulting nanoparticle conjugates. Specifically, the quantity, identity, and arrangement of the molecules in the resulting ligand shell each can be tuned significantly. Here, we describe methods to exchange and quantify thiolated and non-thiolated ligands on gold nanoparticle surfaces...
2017: Methods in Molecular Biology
https://www.readbyqxmd.com/read/28237908/channel-of-viral-dna-packaging-motor-for-real-time-kinetic-analysis-of-peptide-oxidation-states
#14
Shaoying Wang, Zhi Zhou, Zhengyi Zhao, Hui Zhang, Farzin Haque, Peixuan Guo
Nanopore technology has become a powerful tool in single molecule sensing, and protein nanopores appear to be more advantageous than synthetic counterparts with regards to channel amenability, structure homogeneity, and production reproducibility. However, the diameter of most of the well-studied protein nanopores is too small to allow the passage of protein or peptides that are typically in multiple nanometers scale. The portal channel from bacteriophage SPP1 has a large channel size that allows the translocation of peptides with higher ordered structures...
January 30, 2017: Biomaterials
https://www.readbyqxmd.com/read/28237724/the-common-autoimmunity-predisposing-620arg%C3%A2-%C3%A2-trp-variant-of-ptpn22-modulates-macrophage-function-and-morphology
#15
Meihang Li, Hugues Beauchemin, Natalija Popovic, Alan Peterson, Eva d'Hennezel, Ciriaco A Piccirillo, Chao Sun, Constantin Polychronakos
The C1858T single nucleotide polymorphism (SNP) in PTPN22 (protein tyrosine phosphatase nonreceptor 22) leads to the 620 Arg to Trp polymorphism in its encoded human protein LYP. This allelic variant is associated with multiple autoimmune diseases, including type 1 diabetes (T1D), Crohn's disease, rheumatoid arthritis and systemic lupus erythematosus. However, the underlying mechanisms are poorly understood. To study how this polymorphism influences the immune system, we generated a mouse strain with a knock-in of the Trp allele, imitating the human disease-associated variant...
February 22, 2017: Journal of Autoimmunity
https://www.readbyqxmd.com/read/28236971/ligand-receptor-mediated-regulation-of-growth-in-plants
#16
Miyoshi Haruta, Michael R Sussman
Growth and development of multicellular organisms are coordinately regulated by various signaling pathways involving the communication of inter- and intracellular components. To form the appropriate body patterns, cellular growth and development are modulated by either stimulating or inhibiting these pathways. Hormones and second messengers help to mediate the initiation and/or interaction of the various signaling pathways in all complex multicellular eukaryotes. In plants, hormones include small organic molecules, as well as larger peptides and small proteins, which, as in animals, act as ligands and interact with receptor proteins to trigger rapid biochemical changes and induce the intracellular transcriptional and long-term physiological responses...
2017: Current Topics in Developmental Biology
https://www.readbyqxmd.com/read/28236744/identification-of-potential-inhibitors-against-the-zika-virus-using-consensus-scoring
#17
Abdulmujeeb T Onawole, Kazeem O Sulaiman, Rukayat O Adegoke, Temitope U Kolapo
The Zika virus (ZIKV) is a life threatening pathogen of zoonotic importance with prevalence in some parts of Africa and America. Unfortunately, there is yet to be a single approved vaccine or antiviral drug to treat the diseases and deformations being caused by the Zika virus infection. In this study, about 36 million compounds from MCULE database were virtually screened against a real matured ZIKV protein using a consensus scoring method to get improved hit rates. The consensus scoring method combined the result from the 25 top ranked molecules from both MCULE and Drug Score eXtended (DSX) docking programs which led to the selection of two hit compounds...
February 9, 2017: Journal of Molecular Graphics & Modelling
https://www.readbyqxmd.com/read/28236662/monomer-to-dimer-transition-of-brucella-suis-type-iv-secretion-system-component-virb8-induces-conformational-changes
#18
Mahzad Sharifahmadian, Tarun Arya, Benoit Bessette, Lauriane Lecoq, Edward Ruediger, James G Omichinski, Christian Baron
Secretion systems are protein complexes essential for bacterial virulence and potential targets for anti-virulence drugs. In the intracellular pathogen Brucella suis, a type IV secretion system mediates the translocation of virulence factors into host cells and it is essential for pathogenicity. VirB8 is a core component of the secretion system and dimerization is important for functionality of the protein complex. We set out to study dimerization and possible conformational changes of VirB8 from Brucella suis (VirB8s) using nuclear magnetic resonance, X-ray crystallography and differential scanning fluorimetry...
February 25, 2017: FEBS Journal
https://www.readbyqxmd.com/read/28235956/genomic-complexity-and-targeted-genes-in-anaplastic-thyroid-cancer-cell-lines
#19
Eleanor Louise Woodward, Andrea Biloglav, Naveen Ravi, Minjun Yang, Lars Ekblad, Johan Wennerberg, Kajsa Paulsson
Anaplastic thyroid cancer (ATC) is a highly malignant disease with very short median survival times. Few studies have addressed the underlying somatic mutations, and the genomic landscape of ATC thus remains largely unknown. In the present study, we have ascertained copy number aberrations, gene fusions, gene expression patterns, and mutations in early-passage cells from ten newly established ATC cell lines using single nucleotide polymorphism (SNP) array analysis, RNA-sequencing and whole exome sequencing...
February 24, 2017: Endocrine-related Cancer
https://www.readbyqxmd.com/read/28235843/competitive-folding-of-rna-structures-at-a-termination-antitermination-site
#20
Soraya Ait-Bara, Caroline Clerte, Nathalie Declerck, Emmanuel Margeat
Antitermination is a regulatory process based on the competitive folding of terminator/antiterminator structures that can form in the leader region of nascent transcripts. In the case of the Bacillus subtilis licS gene involved in β-glucosides utilization, the binding of the antitermination protein LicT to a short RNA hairpin (RAT) prevents the formation of an overlapping terminator and thereby allows transcription to proceed. Here, we monitored in vitro the competition between termination and antitermination by combining bulk and single-molecule fluorescence-based assays using labelled RNA oligonucleotide constructs of increasing length that mimic the progressive transcription of the terminator invading the antiterminator hairpin...
February 24, 2017: RNA
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