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Liangliang Zhu, Qiang Cui, Hang Xiao, Xiangbiao Liao, Xi Chen
Mechanosensitive channels of small conductance (MscS) in Escherichia coli (E. coli) serve as a paradigm for understanding the gating behaviors of the MscS family of ion channels. In this work, we develop a continuum mechanics framework to explore the conformational states of MscS during the gating transition. A complete gating transition trajectory from the closed to the open state along with partially open intermediates is obtained, and the open structure is close to the available structural model from crystallographic studies...
November 2, 2018: Journal of the Mechanical Behavior of Biomedical Materials
Antistio Alviz-Amador, Rodrigo Galindo-Murillo, Rafael Pineda-Alemán, Humberto Pérez-González, Erika Rodríguez-Cavallo, Ricardo Vivas-Reyes, Darío Méndez-Cuadro
4-hydroxy-2-nonenal (4-HNE) is the main end product of peroxidation in lipids, capable of introduce carbonyl groups to nucleophilic amino acids via Michael additions and alter protein function. It has been reported that 4-HNE protein carbonylation is associated with intracellular protein aggregation, the pathogenesis of neurodegenerative and metabolic diseases and yet it is unclear how the carbonylation affects the protein structure and dynamics at the atomic level. Here, we analysis the structural effects of 4-HNE modification through formation of Michael adducts of Cys-4HNE, His-4HNE and Lys-4HNE on Serum Albumin (BSA) and Thioredoxin (TRX)...
November 4, 2018: Journal of Molecular Graphics & Modelling
Nannan Shi, Shasha Cai, Jiuxiang Gao, Xue Qiao, Huaixin Yang, Yipeng Wang, Haining Yu
Cathelicidins are a class of gene-encoded immune effectors in vertebrate innate immune system. Though being extensively studied in mammals, little is known about the roles of cathelicidins in turtles, the water-dwelling vertebrates in the order Testudines. In the present study, six novel cathelicidins (Ps-CATH1-6) with different tissue and inducible expression patterns were characterized from the turtle of economic importance, Chinese soft-shell turtle (Pelodiscus sinensis). Although the structures of Ps-CATH1-6 precursors were identical with most of the other known cathelicidins, the mature peptides of Ps-CATH1-6 showed low sequence similarity with the other cathelicidins...
November 16, 2018: Developmental and Comparative Immunology
Gary Love
Dorothy Crisp is known for being the militant Chairman of the British Housewives League (BHL) after the Second World War, but historians have failed to recognize that her views and actions were the culmination of over twenty years of right-wing journalism and political activism through which she tried to influence the Conservative Party. This article re-evaluates Crisp's Conservatism and her political career. It asks why such a powerful pro-Conservative female activist failed to secure a place within Conservative politics during the 1930s and the 1940s...
November 17, 2018: 20 Century British History
Chinna Babu Dracham, Rohit Mahajan, Bhavana Rai, Arun Elangovan, Tapesh Bhattacharya, Sushmita Ghoshal
Objective(s): This study aimed to retrospectively evaluate the toxicity and clinical outcomes in patients of locally advanced cervical cancer treated with three-dimensional conformal radiotherapy (3DCRT) and concurrent chemotherapy. Material and methods: Two hundred and ten newly diagnosed patients of locally advanced cervical cancer of FIGO 2009 Stage II-III treated with 3DCRT (46 Gy/23 fractions/4½ weeks) and weekly concurrent Cisplatin (40 mg/m2), from January 2013 to 2015 were analyzed...
November 17, 2018: Japanese Journal of Clinical Oncology
Alexis Voegele, Darragh P O'Brien, Orso Subrini, Nicolas Sapay, Sara E Cannella, Véronique Yvette Ntsogo Enguéné, Audrey Hessel, Johanna Karst, Véronique Hourdel, Ana Cristina Sotomayor Perez, Marilyne Davi, Rémi Veneziano, Joel Chopineau, Patrice Vachette, Dominique Durand, Sébastien Brier, Daniel Ladant, Alexandre Chenal
The adenylate cyclase toxin (CyaA) is a multi-domain protein secreted by Bordetella pertussis, the causative agent of whooping cough. CyaA is involved in the early stages of respiratory tract colonization by Bordetella pertussis. CyaA is produced and acylated in the bacteria, and secreted via a dedicated secretion system. The cell intoxication process involves a unique mechanism of transport of the CyaA toxin catalytic domain (ACD) across the plasma membrane of eukaryotic cells. Once translocated, ACD binds to and is activated by calmodulin and produces high amounts of cAMP, subverting the physiology of eukaryotic cells...
November 18, 2018: Pathogens and Disease
Seif Bennia, Rim Milad, Sabri Messaoudi, Marine de Person, Fathi Moussa, Manef Abderrabba, Denis Merlet
Since the early nineties, countless publications have been devoted to the study of possible uses of [60] fullerene (C60) and its derivatives in the fields of materials and nano-biomedical sciences. However, in spite of the importance of conformers notably from the pharmacological point of view, the cis/trans isomerization of C60 mono-adducts has been rarely seldom investigated. Here we present the results of DFT calculations of the structural, vibrational and NMR properties of both cis and trans isomers of fulleropyrrolidine mono-adduct obtained by photo-addition of glycine methyl ester to C60...
2018: PloS One
Jaume Bonet, Sarah Wehrle, Karen Schriever, Che Yang, Anne Billet, Fabian Sesterhenn, Andreas Scheck, Freyr Sverrisson, Barbora Veselkova, Sabrina Vollers, Roxanne Lourman, Mélanie Villard, Stéphane Rosset, Thomas Krey, Bruno E Correia
The robust computational design of functional proteins has the potential to deeply impact translational research and broaden our understanding of the determinants of protein function and stability. The low success rates of computational design protocols and the extensive in vitro optimization often required, highlight the challenge of designing proteins that perform essential biochemical functions, such as binding or catalysis. One of the most simplistic approaches for the design of function is to adopt functional motifs in naturally occurring proteins and transplant them to computationally designed proteins...
November 19, 2018: PLoS Computational Biology
Eva L Morozko, Joseph Ochaba, Sarah J Hernandez, Alice Lau, Isabella Sanchez, Iliana Orellana, Lexi Kopan, Josh Crapser, Janet H Duong, Julia Overman, Silvia Yeung, Joan S Steffan, Jack Reidling, Leslie M Thompson
BACKGROUND: Biochemical analysis of mutant huntingtin (mHTT) aggregation species in HD mice is a common measure to track disease. A longitudinal and systematic study of how tissue processing affects detection of conformers has not yet been reported. Understanding the homeostatic flux of mHTT over time and under different processing conditions would aid in interpretation of pre-clinical assessments of disease interventions. OBJECTIVE: Provide a systematic evaluation of tissue lysis methods and molecular and biochemical assays in parallel with behavioral readouts in R6/2 mice to establish a baseline for HTT exon1 protein accumulation...
November 13, 2018: Journal of Huntington's Disease
Małgorzata Giżyńska, Julia Paulina Witkowska, Przemysław Karpowicz, Rafał Rostankowski, Estrella Sandra Chocron, Andrew Michael Pickering, Pawel A Osmulski, Maria E Gaczynska, Elzbieta Jankowska
Proline- and arginine-rich peptide PR11 is an allosteric inhibitor of 20S proteasome. We modified its sequence inter alia by introducing HbYX, RYX or RHbX C-terminal extensions (Hb-hydrophobic moiety, R-arginine, Y-tyrosine, X-any residue). We found that an aromatic penultimate Hb residue improved the inhibitory capacity. Remarkably, the HbYX motif converted the inhibitor into a very good activator, able to stimulate 20S to efficiently degrade protein substrates, such as α-synuclein and enolase. Moreover, the HbYX containing peptide activated proteasome in cultured fibroblasts...
November 19, 2018: Journal of Medicinal Chemistry
Oleg Babii, Sergii Afonin, Aleksandr Yu Ishchenko, Tim Schober, Anatoliy O Negelia, Ganna M Tolstanova, Liudmyla V Garmanchuk, Liudmyla I Ostapchenko, Igor V Komarov, Anne S Ulrich
Five series (28 structures) of photoswitchable β-hairpin peptides were synthesized, based on the cyclic scaffold of the natural antibiotic gramicidin S. Cell-type selectivity was compared for all activated (diarylethene ring-open) and deactivated (closed) forms in terms of antibacterial activity (MIC against E. coli and B. subtilis), anticancer activity (IC50 against HeLa cell line), and hemolytic cytotoxicity (HC50 against human erythrocytes). Correlations between the conformational plasticity of the peptides, their hydrophobicity and their bioactivity were also analyzed...
November 19, 2018: Journal of Medicinal Chemistry
Young-Tae Kwon, Yun-Sung Kim, Yongkuk Lee, Shinjae Kwon, Minseob Lim, Yoseb Song, Yong-Ho Choa, Woon-Hong Yeo
Inkjet-printed electronics using metal particles typically lack electrical conductivity and interfacial adhesion with an underlying substrate. To address the inherent issues of printed materials, this paper introduces advanced materials and processing methodologies. Enhanced adhesion of the inkjet-printed copper (Cu) on a flexible polyimide film is achieved by using a new surface modification technique, a nanostructured self-assembled monolayer (SAM) of (3-mercaptopropyl)trimethoxysilane. A standardized adhesion test reveals the superior adhesion strength (1192...
November 19, 2018: ACS Applied Materials & Interfaces
Benjamin L Dale, Nathan R Halcovitch, Michael J G Peach, John M Griffin
A photochromic anil, N-(3,5-di-t-butylsalicylidene)-4-amino-pyridine, has been studied by single-crystal X-ray diffraction, multinuclear magic-angle spinning NMR and first-principles density functional theory (DFT) calculations. Interpretation of the solid-state NMR data on the basis of calculated chemical shifts confirms the structure is primarily composed of molecules in the ground-state enol tautomer, while thermally-activated cis-keto and photoisomerised trans-keto states exist as low-level defects with populations that are too low to detect experimentally...
November 19, 2018: Magnetic Resonance in Chemistry: MRC
Gion Calzaferri
The influence of entropy in multiple chemical equilibria is investigated for systems with different types of sites for the condition that the binding enthalpy of the species is the same within each type of sites and independent of those species that are already bonded. This allows splitting of the free reaction enthalpy into the particle distribution term and all other contributions for each type of sites separately and, hence, to evaluate this entropy contribution to the free reaction enthalpy. The situations for which this applies can be chemically very different, e...
November 19, 2018: Physical Chemistry Chemical Physics: PCCP
Fabian Brunner, Azin Babaei, Antonio Pertegás, José M Junquera-Hernández, Alessandro Prescimone, Edwin C Constable, Henk J Bolink, Michele Sessolo, Enrique Ortí, Catherine E Housecroft
The synthesis and characterization of five [Cu(P^P)(N^N)][PF6] complexes in which P^P = 2,7-bis(tert-butyl)-4,5-bis(diphenylphosphino)-9,9-dimethylxanthene (tBu2xantphos) or the chiral 4,5-bis(mesitylphenylphosphino)-9,9-dimethylxanthene (xantphosMes2) and N^N = 2,2'-bipyridine (bpy), 6-methyl-2,2'-bipyridine (6-Mebpy) or 6,6'-dimethyl-2,2'-bipyridine (6,6'-Me2bpy) are reported. Single crystal structures of four of the compounds confirm that the copper(i) centre is in a distorted tetrahedral environment. In [Cu(xantphosMes2)(6-Mebpy)][PF6], the 6-Mebpy unit is disordered over two equally populated orientations and this disorder parallels a combination of two dynamic processes which we propose for [Cu(xantphosMes2)(N^N)]+ cations in solution...
November 19, 2018: Dalton Transactions: An International Journal of Inorganic Chemistry
Sarah-Beth T A Amos, Louic S Vermeer, Philip M Ferguson, Justyna Kozlowska, Matthew Davy, Tam T Bui, Alex F Drake, Christian D Lorenz, A James Mason
A correction to this article has been published and is linked from the HTML and PDF versions of this paper. The error has not been fixed in the paper.
November 19, 2018: Scientific Reports
Benoît Hastoy, Mahdieh Godazgar, Anne Clark, Vibe Nylander, Ioannis Spiliotis, Martijn van de Bunt, Margarita V Chibalina, Amy Barrett, Carla Burrows, Andrei I Tarasov, Raphael Scharfmann, Anna L Gloyn, Patrik Rorsman
Limited access to human islets has prompted the development of human beta cell models. The human beta cell lines EndoC-βH1 and EndoC-βH2 are increasingly used by the research community. However, little is known of their electrophysiological and secretory properties. Here, we monitored parameters that constitute the glucose-triggering pathway of insulin release. Both cell lines respond to glucose (6 and 20 mM) with 2- to 3-fold stimulation of insulin secretion which correlated with an elevation of [Ca2+ ]i , membrane depolarisation and increased action potential firing...
November 19, 2018: Scientific Reports
Pakoyo F Kamba, David A Dickson, Neil A White, Jennifer L Ekstrom, Donna J Koslowsky, Charles G Hoogstraten
Pentatricopeptide repeat (PPR) proteins, a helical repeat family of organellar RNA binding proteins, play essential roles in post-transcriptional RNA processing. In Trypanosoma brucei, an expanded family of PPR proteins localize to the parasite's single mitochondrion, where they are believed to perform important roles in both RNA processing and translation. We studied the RNA binding specificity of the simplest T. brucei PPR protein (KRIPP11) using electrophoretic mobility shift assays, fluorescence anisotropy, circular dichroism spectroscopy, and in vitro selection...
November 19, 2018: Scientific Reports
Liat Hammer, Menahem Laufer, Zohar Dotan, Raya Leibowitz-Amit, Raanan Berger, Shira Felder, Ilana Weiss, Yaacov Richard Lawrence, Zvi Symon
PURPOSE/OBJECTIVES: The main purpose of this study was to report treatment outcomes of definitive image-guided accelerated hypofractionated radiation therapy for elderly patients with muscle-invasive bladder cancer unsuitable for surgery or trimodality therapy. MATERIALS AND METHODS: Patients with confirmed muscle-invasive or high-risk T1 transitional cell carcinoma of the bladder, stage T1-T4aN0M0, who underwent transurethral resection of bladder tumor were irradiated with 45 Gy in 15 fractions...
November 16, 2018: American Journal of Clinical Oncology
Xiao-Man Liu, Akinori Yamasaki, Xiao-Min Du, Valerie C Coffman, Yoshinori Ohsumi, Hitoshi Nakatogawa, Jian-Qiu Wu, Nobuo N Noda, Li-Lin Du
The ubiquitin-like protein Atg8, in its lipidated form, plays central roles in autophagy. Yet, remarkably, Atg8 also carries out lipidation-independent functions in non-autophagic processes. How Atg8 performs its moonlighting roles is unclear. Here we report that in the fission yeast Schizosaccharomyces pombe and the budding yeast Saccharomyces cerevisiae , the lipidation-independent roles of Atg8 in maintaining normal morphology and functions of the vacuole require its interaction with a vacuole membrane protein Hfl1 (homolog of human TMEM184 proteins)...
November 19, 2018: ELife
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