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https://www.readbyqxmd.com/read/28437864/linear-no-threshold-default-assumptions-are-unwarranted-for-cytotoxic-endpoints-independently-triggered-by-ultrasensitive-molecular-switches
#1
Kenneth T Bogen
Crump's response in this issue to my critique of linear-no-threshold (LNT) default assumptions for noncancer and nongenotoxic cancer risks (Risk Analysis 2016; 36(3):589-604) is rebutted herein. Crump maintains that distinguishing between a low-dose linear dose response and a threshold dose response on the basis of dose-response data is impossible even for endpoints involving increased cytotoxicity. My rebuttal relies on descriptions and specific illustrations of two well-characterized ultrasensitive molecular switches that govern two key cytoprotective responses to cellular stress-heat shock response and antioxidant response element activation, respectively-each of which serve to suppress stress-induced apoptotic cell death unless overwhelmed...
April 24, 2017: Risk Analysis: An Official Publication of the Society for Risk Analysis
https://www.readbyqxmd.com/read/28437838/prognostic-relevance-of-mir-124-3p-and-its-target-tp53inp1-in-pediatric-ependymoma
#2
Yulia Margolin-Miller, Natalia Yanichkin, Keren Shichrur, Helen Toledano, Anat Ohali, Theophilos Tzaridis, Shalom Michowitz, Suzana Fichman-Horn, Meora Feinmesser, Stefan M Pfister, Hendrik Witt, Uri Tabori, Eric Bouffet, Vijay Ramaswamy, Cynthia Hawkins, Michael D Taylor, Isaac Yaniv, Smadar Avigad
Ependymoma is a malignant pediatric brain tumor, often incurable under the current treatment regimen. We aimed to evaluate the expression of microRNAs (miRs) in pediatric ependymoma tumors in an attempt to identify prognostic molecular markers which would lead to potential therapeutic targets. Following miR-array expression analysis, we focused on 9 miRs that correlated with relapse which were further validated by quantitative real time PCR (qRT-PCR) in a cohort of 67 patients. Western blotting and immunohistochemistry were used to measure target protein expression in 20 and 34 tumor samples, respectively...
April 24, 2017: Genes, Chromosomes & Cancer
https://www.readbyqxmd.com/read/28437771/solvent-bar-micro-extraction-sbme-based-determination-of-pahs-in-seawater-samples
#3
José A López-López, Esther Ogalla-Chozas, Pablo A Lara-Martín, Marina G Pintado-Herrera
Measuring the impact of PAHs in seawater samples is often difficult due to the low concentrations in which they appear and the complexity of the sample matrix. Traditional methods for sample preparation such as liquid-liquid extraction and solid phase extraction require the use of excessive amounts of solvents and reagents, and sample handling. In this work, hollow fiber liquid phase micro-extraction (HFLPME), in the configuration of solvent bar micro-extraction (SBME), was proposed as an environmentally friendly and more effective tool, for the extraction of the 16 priority PAHs from seawater samples...
April 21, 2017: Science of the Total Environment
https://www.readbyqxmd.com/read/28437719/matrix-assisted-laser-desorption-ionization-mass-spectrometric-imaging-of-olanzapine-in-a-single-hair-using-esculetin-as-a-matrix
#4
Hang Wang, Ying Wang, Ge Wang, Lizhi Hong
Matrix-assisted laser desorption/ionization-mass spectrometric imaging (MALDI-MSI) for the analysis of intact hair is a powerful tool for monitoring changes in drug consumption. The embedding of a low drug concentration in the hydrophobic hair matrix makes it difficult to extract and detect, and requires an improved method to increase detection sensitivity. In this study, an MSI method using MALDI-Fourier transform ion cyclotron resonance was developed for direct identification and imaging of olanzapine in hair samples using the positive ion mode...
April 18, 2017: Journal of Pharmaceutical and Biomedical Analysis
https://www.readbyqxmd.com/read/28437699/structure-and-dynamics-of-cetyltrimethylammonium-chloride-sodium-dodecylsulfate-ctac-sds-catanionic-vesicles-high-value-nano-vehicles-from-low-cost-surfactants
#5
Irene Russo Krauss, Riccardo Imperatore, Augusta De Santis, Alessandra Luchini, Luigi Paduano, Gerardino D'Errico
HYPOTHESIS: Catanionic vesicles based on large-scale produced surfactants represent a promising platform for the design of innovative, effective and relatively inexpensive nano-vehicles for a variety of actives. Structural, dynamic and functional behavior of these aggregates is finely tuned by the molecular features of their components and can be opportunely tailored for their applications as drug carriers. EXPERIMENTS: Here we investigate the aggregates formed by CTAC and SDS, two of the most diffused surfactants, by means of Dynamic Light Scattering, Small Angle Neutron Scattering and Electron Paramagnetic Resonance spectroscopy (EPR)...
April 12, 2017: Journal of Colloid and Interface Science
https://www.readbyqxmd.com/read/28437618/state-of-the-art-calculations-of-sublimation-enthalpies-for-selected-molecular-crystals-and-their-computational-uncertainty
#6
Ctirad Červinka, Michal Fulem
A computational methodology for calculation of sublimation enthalpies of molecular crystals from first principles is developed and validated by comparison to critically evaluated literature experimental data. Temperature dependent sublimation enthalpies for a set of selected 22 molecular crystals in their low-temperature phases are calculated. The computational methodology consists in several building blocks based on high level electronic structure methods of quantum chemistry and statistical thermodynamics...
April 24, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28437560/phylogeography-and-population-structure-analysis-reveals-diversity-by-mutations-in-lasiodiplodia-theobromae-with-distinct-sources-of-selection
#7
P H D Santos, B M Carvalho, K P Aguiar, F A S Aredes, T P S Poltronieri, J M S Vivas, V Mussi Dias, G A Bezerra, D B Pinho, M G Pereira, S F Silveira
Lasiodiplodia theobromae is a plant pathogen with a worldwide distribution, with low host specificity, causing stem cankers, dieback diseases, and fruit rot in several species of plants. In coconut, this pathogen is reported as the etiological agent of "coconut leaf blight" (CLB) disease, causing several losses in fruit production. The CLB is an important disease for this crop in Brazil. In our study, we used a phylogeographic approach through the molecular characterization of the translation elongation factor 1-α (TEF1-α) to elucidate the pathogen distribution in Brazil and other countries, besides, search information about diversity sources of this pathogen in coconut palm tree at Brazilian northern, northeast, and southeast...
April 20, 2017: Genetics and Molecular Research: GMR
https://www.readbyqxmd.com/read/28437098/interaction-of-fibrin-with-the-very-low-density-lipoprotein-receptor-further-characterization-and-localization-of-the-vldl-receptor-binding-site-in-fibrin-%C3%AE-n-domains
#8
Sergiy Yakovlev, Leonid Medved
Our recent study revealed that fibrin and the VLDL receptor (VLDLR) interact with each other through a pair of fibrin βN-domains and CR domains of the receptor and this interaction promotes transendothelial migration of leukocytes and thereby inflammation. The major objectives of the present study were to further clarify the molecular mechanism of fibrin-VLDLR interaction and to identify amino acid residues in the βN-domains involved in this interaction. Our binding experiments with the (β15-66)2 fragment, which corresponds to a pair of fibrin βN-domains, and the VLDLR(1-8) fragment consisting of eight CR domains of VLDLR, revealed that interaction between them strongly depends on ionic strength and chemical modification of all Lys or Arg residues in (β15-66)2 results in abrogation of this interaction...
April 24, 2017: Biochemistry
https://www.readbyqxmd.com/read/28437077/peptide-and-protein-dynamics-and-low-temperature-dnp-magic-angle-spinning-nmr
#9
Qing Zhe Ni, Evgeny Markhasin, Thach V Can, Björn Corzilius, Kong O Tan, Alexander B Barnes, Eugenio Daviso, Yongchao Su, Judith Herzfeld, Robert G Griffin
In DNP MAS NMR experiments at ~80-110 K, the structurally important -13CH3 and -15NH3+ signals in MAS spectra of biological samples disappear due to the interference of the molecular motions with the 1H decoupling. Here we investigate the effect of these dynamic processes on the NMR lineshapes and signal intensities in several typical systems: (1) microcrystalline APG, (2) membrane protein bR, (3) amyloid fibrils PI3-SH3, (4) monomeric alanine-CD3 and (5) the pro-tonated and deuterated dipeptide N-Ac-VL over 78-300 K...
April 24, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28437018/polar-side-chains-enhance-processability-electrical-conductivity-and-thermal-stability-of-a-molecularly-p-doped-polythiophene
#10
Renee Kroon, David Kiefer, Dominik Stegerer, Liyang Yu, Michael Sommer, Christian Müller
Molecular doping of organic semiconductors is critical for optimizing a range of optoelectronic devices such as field-effect transistors, solar cells, and thermoelectric generators. However, many dopant:polymer pairs suffer from poor solubility in common organic solvents, which leads to a suboptimal solid-state nanostructure and hence low electrical conductivity. A further drawback is the poor thermal stability through sublimation of the dopant. The use of oligo ethylene glycol side chains is demonstrated to significantly improve the processability of the conjugated polymer p(g4 2T-T)-a polythiophene-in polar aprotic solvents, which facilitates coprocessing of dopant:polymer pairs from the same solution at room temperature...
April 24, 2017: Advanced Materials
https://www.readbyqxmd.com/read/28437009/conformational-changes-of-ubiquitin-under-high-pressure-conditions-a-pressure-simulated-tempering-molecular-dynamics-study
#11
Yoshiharu Mori, Yuko Okamoto
Molecular dynamics simulations for the system of ubiquitin were performed with pressure simulated tempering to study pressure-induced conformational changes of ubiquitin. The pressure dependence of ubiquitin was analyzed in a wide range of pressure from atmospheric pressure (0.1 MPa) to 1.0 GPa. The fluctuation of the distance between amino-acid residues and the distribution of a largely fluctuating distance were calculated. The large fluctuation of the L8-E34 distance induced by pressure means that the conformation of ubiquitin changes under high pressure conditions...
June 5, 2017: Journal of Computational Chemistry
https://www.readbyqxmd.com/read/28436718/design-of-a-novel-curcumin-soybean-phosphatidylcholine-complex-based-targeted-drug-delivery-systems
#12
Jiajiang Xie, Yanxiu Li, Liang Song, Zhou Pan, Shefang Ye, Zhenqing Hou
Recently, the global trend in the field of nanomedicine has been toward the design of combination of nature active constituents and phospholipid (PC) to form a therapeutic drug-phospholipid complex. As a particular amphiphilic molecular complex, it can be a unique bridge of traditional dosage-form and novel drug delivery system. In thisarticle, on the basis of drug-phospholipid complex technique and self-assembly technique, we chose a pharmacologically safe and low toxic drug curcumin (CUR) to increase drug-loading ability, achieve controlled/sustained drug release and improve anticancer activity...
November 2017: Drug Delivery
https://www.readbyqxmd.com/read/28436679/cited2-mutations-in-conserved-regions-contribute-to-conotruncal-heart-defects-in-chinese-children
#13
Bojian Li, Tian Pu, Yang Liu, Yuejuan Xu, Rang Xu
Conotruncal heart defects (CTDs) are severe malformations of outflow tract with heterogeneous morphology. Several missense variants of CITED2 have been identified to cause CTDs in recent researches. In this study, we screened the coding regions of CITED2 in 605 Chinese children with CTDs and found two possible pathogenic mutant sites: p.Q117L and p.T257A, both located in the conserved regions of CITED2. Then, we investigated the biological and functional alterations of them. Western blotting showed low level of protein expression of mutant Q117 and T257A compared with wild-type CITED2...
April 24, 2017: DNA and Cell Biology
https://www.readbyqxmd.com/read/28436649/multi-arm-junctions-for-dynamic-dna-nanotechnology
#14
Shohei Kotani, William L Hughes
Non-enzymatic catalytic substrates have been engineered using toehold-mediated DNA strand displacement, and their programmable applications range from medical diagnosis to molecular computation. However, the complexity, stability, scalability, and sensitivity of those systems are plagued by network leakage. A novel way to suppress leakage is to increase its energy barrier through four-way branch migration. Presented here, we designed multi-arm junction substrates that simultaneously exploit four-way branch migration, with a high-energy barrier to minimize leakage, and three-way branch migration, with a low energy barrier to maximize catalysis...
April 24, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28436512/exploring-the-orthorhombic-tetragonal-phase-transition-in-ch3nh3pbi3-the-role-of-atom-kinetics
#15
Ioannis Deretzis, Antonino La Magna
Methylammonium lead tri-iodide is a polymorphic material with two temperature-induced phase transitions at 165 K and 327 K, accompanied by an orthorhombic-to-tetragonal and a tetragonal-to-cubic lattice modification. Understanding the origins of these transitions as well as their implications on the crystal structure of the material is fundamental for its technological optimization. Here, we use the density functional theory along with ab initio molecular dynamics to study the low-temperature phase transition of CH3NH3PbI3...
April 24, 2017: Nanoscale
https://www.readbyqxmd.com/read/28436508/purification-characterization-and-bioactivities-of-polysaccharides-from-pleurotus-ferulae
#16
Jinyu Li, Pengfei Yuan, Xinhui Wang, Adila Aipire, Minjing Li, Jie Yang, Hong Tao, Tianlei Ying, Changshuang Fu, Xianxian Wei, Fuchun Zhang, Jinyao Li
Pleurotus ferulae is an edible mushroom and has been used in Uygur medicine for a long time. In this study, we purified polysaccharides from P. ferulae (PFPS) and investigated its structural characteristics. We obtained a homogeneous PFPS with a molecular weight of around 1600 kDa and prominent characteristic polysaccharide groups, which mainly contained glucose (97%), followed by mannose and galactose (3%). Both (1)H and (13)C NMR spectra indicated that PFPS contained both α- and β-anomeric configurations...
April 24, 2017: Food & Function
https://www.readbyqxmd.com/read/28436075/does-a-meso-caval-shunt-have-positive-effects-in-a-pig-large-for-size-liver-transplantation-model
#17
Ana Cristina Aoun Tannuri, Daniel de Albuquerque Rangel Moreira, Alessandro Belon, Maria Cecília Mendonça Coelho, Josiane Oliveira Gonçalves, Suellen Serafini, Uenis Tannuri
In pediatric liver transplantations with LFS grafts, higher incidences of graft dysfunction probably occur due to IRI. It was postulated that increasing the blood supply to the graft by means of a meso-caval shunt could ameliorate the IRI. Eleven pigs underwent liver transplantation and were divided into two groups: LFS and LFS+SHUNT group. A series of flowmetric, metabolic, histologic, and molecular studies were performed. No significant metabolic differences were observed between the groups. One hour after reperfusion, portal flow was significantly lower in the recipients than in the donors, proving that the graft was maintained in low portal blood flow, although the shunt could promote a transient increase in the portal blood flow and a decrease in the arterial flow...
April 24, 2017: Pediatric Transplantation
https://www.readbyqxmd.com/read/28435877/design-and-function-of-biomimetic-multilayer-water-purification-membranes
#18
Shengjie Ling, Zhao Qin, Wenwen Huang, Sufeng Cao, David L Kaplan, Markus J Buehler
Multilayer architectures in water purification membranes enable increased water throughput, high filter efficiency, and high molecular loading capacity. However, the preparation of membranes with well-organized multilayer structures, starting from the nanoscale to maximize filtration efficiency, remains a challenge. We report a complete strategy to fully realize a novel biomaterial-based multilayer nanoporous membrane via the integration of computational simulation and experimental fabrication. Our comparative computational simulations, based on coarse-grained models of protein nanofibrils and mineral plates, reveal that the multilayer structure can only form with weak interactions between nanofibrils and mineral plates...
April 2017: Science Advances
https://www.readbyqxmd.com/read/28435872/unraveling-self-assembly-pathways-of-the-468-kda-proteolytic-machine-tet2
#19
Pavel Macek, Rime Kerfah, Elisabetta Boeri Erba, Elodie Crublet, Christine Moriscot, Guy Schoehn, Carlos Amero, Jerome Boisbouvier
The spontaneous formation of biological higher-order structures from smaller building blocks, called self-assembly, is a fundamental attribute of life. Although the protein self-assembly is a time-dependent process that occurs at the molecular level, its current understanding originates either from static structures of trapped intermediates or from modeling. Nuclear magnetic resonance (NMR) spectroscopy has the unique ability to monitor structural changes in real time; however, its size limitation and time-resolution constraints remain a challenge when studying the self-assembly of large biological particles...
April 2017: Science Advances
https://www.readbyqxmd.com/read/28435528/discovery-of-highly-selective-inhibitors-of-the-immunoproteasome-low-molecular-mass-polypeptide-2-lmp2-subunit
#20
Henry W B Johnson, Janet L Anderl, Erin K Bradley, John Bui, Jeffrey Jones, Shirin Arastu-Kapur, Lisa M Kelly, Eric Lowe, David C Moebius, Tony Muchamuel, Christopher Kirk, Zhengping Wang, Dustin McMinn
Building upon the success of bortezomib (VELCADE) and carfilzomib (KYPROLIS), the design of a next generation of inhibitors targeting specific subunits within the immunoproteasome is of interest for the treatment of autoimmune disease. There are three catalytic subunits within the immunoproteasome (low molecular mass polypeptide-7, -2, and multicatalytic endopeptidase complex subunit-1; LMP7, LMP2, and MECL-1), and a campaign was undertaken to design a potent and selective LMP2 inhibitor with sufficient properties to allow for sustained inhibition in vivo...
April 13, 2017: ACS Medicinal Chemistry Letters
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