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Phosphoethanolamine

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https://www.readbyqxmd.com/read/28731702/drude-polarizable-force-field-for-molecular-dynamics-simulations-of-saturated-and-unsaturated-zwitterionic-lipids
#1
Hui Li, Janamejaya Chowdhary, Lei Huang, Xibing He, Alexander D MacKerell, Benoît Roux
Additive force fields are designed to account for induced electronic polarization in a mean-field average way using effective empirical fixed charges. The limitation of this approximation is cause for serious concerns, particularly in the case of lipid membranes, where the molecular environment undergoes dramatic variations over microscopic length scales. A polarizable force field based on the classical Drude oscillator offers a practical and computationally efficient framework for an improved representation of electrostatic interactions in molecular simulations...
July 21, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28724033/ethical-issues-on-the-synthetic-phosphoethanolamine-clinical-trial
#2
Francisco José Roma Paumgartten
Notwithstanding its approval by the National Committee for Ethics in Research (Conep) on April 19, 2016, a trial of the so-called "synthetic" phosphoethanolamine (syn-phospho) pill in cancer patients raises ethical concerns. An analysis by a laboratory contracted by the Ministry of Science, Technology and Innovation (MCTI) revealed that syn-phospho contained a great amount of impurities and did not meet standards of pharmaceutical quality required for an investigational drug. Cytotoxicity against human tumor cell lines and in vivo rodent xenograft tumor assays consistently failed to demonstrate a potential anticancer activity of syn-phospho...
May 2017: Revista da Associação Médica Brasileira
https://www.readbyqxmd.com/read/28683522/role-of-eptc-in-biofilm-formation-by-campylobacter-jejuni-nctc11168-on-polystyrene-and-glass-surfaces
#3
Eun Seob Lim, Joo-Sung Kim
The complex roles of cell surface modification in the biofilm formation of Campylobacter jejuni, a major cause of worldwide foodborne diarrheal disease, are poorly understood. In a screen of mutants from random transposon mutagenesis, an insertional mutation in eptC gene (cj0256) resulted in a significant decrease in C. jejuni NCTC11168 biofilm formation (<20%) on major food contact surfaces, such as polystyrene and borosilicate glass, compared with wild-type cells (p < 0.05). In C. jejuni strain 81-176, the protein encoded by eptC modifies cell surface structures, such as lipid A, the inner core of lipooligosaccharide, and the flagellar rod protein (FlgG), by attaching phosphoethanolamine...
July 7, 2017: Journal of Microbiology and Biotechnology
https://www.readbyqxmd.com/read/28683347/composite-liposome-pei-nucleic-acid-lipopolyplexes-for-safe-and-efficient-gene-delivery-and-gene-knockdown
#4
Shashank Reddy Pinnapireddy, Lili Duse, Boris Strehlow, Jens Schäfer, Udo Bakowsky
Cytotoxicity is a major drawback impeding the therapeutic use of gene delivery and gene down-regulation vehicles. Apart from cytotoxicity, rapid degradation and low cellular uptake are other major factors affecting therapeutic use. Considering the above factors, formulation and development of PEI (Polyethylenimine) based, liposome encapsulated delivery vehicles with improved transfection efficiency and low cytotoxicity which can be used for gene delivery and gene knockdown. DOPE (1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine), DPPC (Dipalmitoylphosphatidylcholine) and cholesterol have been considered as lipids of choice bearing in mind various factors such as rigidness and surface charge which greatly influence the formation of liposomes, polyplex encapsulation and transfection efficiency...
June 21, 2017: Colloids and Surfaces. B, Biointerfaces
https://www.readbyqxmd.com/read/28669809/functional-nanosome-for-enhanced-mitochondria-targeted-gene-delivery-and-expression
#5
Yoonhee Bae, Min Kyo Jung, Su Jeong Song, Eric S Green, Seulgi Lee, Hyun-Sook Park, Seung Hun Jeong, Jin Han, Ji Young Mun, Kyung Soo Ko, Joon Sig Choi
Mitochondria dysfunction plays a role in many human diseases. Therapeutic techniques for these disorders require novel delivery systems that can specifically target and penetrate mitochondria. In this study, we report a novel nanosome composed of dequalinium-DOTAP-DOPE (1,2 dioleoyl-3-trimethylammonium-propane-1,2-dioleoyl-sn-glycero-3-phosphoethanolamine) (DQA80s) as a potential mitochondria-targeting delivery vector. The functional DQAsome, DQA80s, showed enhanced transfection efficiency compared to a vector DQAsomes in HeLa cells and dermal fibroblasts...
June 29, 2017: Mitochondrion
https://www.readbyqxmd.com/read/28659495/ceramide-phosphoethanolamine-synthase-smsr-is-a-target-of-caspase-6-during-apoptotic-cell-death
#6
Birol Cabukusta, Niclas T Nettebrock, Matthijs Kol, Angelika Hilderink, Fikadu G Tafesse, Joost C M Holthuis
Ceramides are essential precursors of sphingolipids with a dual role as mediators of apoptotic cell death. Previous work revealed that the ER-resident ceramide phosphoethanolamine synthase SMSr/SAMD8 is a suppressor of ceramide-mediated apoptosis in cultured cells. Anti-apoptotic activity of SMSr requires a catalytically active enzyme but also relies on the enzyme's N -terminal sterile α-motif or SAM domain. Here we demonstrate that SMSr itself is a target of the apoptotic machinery. Treatment of cells with staurosporine or the death receptor ligand FasL triggers caspase-mediated cleavage of SMSr at a conserved aspartate located downstream of the enzyme's SAM domain and upstream of its first membrane span...
June 28, 2017: Bioscience Reports
https://www.readbyqxmd.com/read/28655818/novel-plasmid-mediated-colistin-resistance-gene-mcr-3-in-escherichia-coli
#7
Wenjuan Yin, Hui Li, Yingbo Shen, Zhihai Liu, Shaolin Wang, Zhangqi Shen, Rong Zhang, Timothy R Walsh, Jianzhong Shen, Yang Wang
The mobile colistin resistance gene mcr-1 has attracted global attention, as it heralds the breach of polymyxins, one of the last-resort antibiotics for the treatment of severe clinical infections caused by multidrug-resistant Gram-negative bacteria. To date, six slightly different variants of mcr-1, and a second mobile colistin resistance gene, mcr-2, have been reported or annotated in the GenBank database. Here, we characterized a third mobile colistin resistance gene, mcr-3 The gene coexisted with 18 additional resistance determinants in the 261-kb IncHI2-type plasmid pWJ1 from porcine Escherichia colimcr-3 showed 45...
June 27, 2017: MBio
https://www.readbyqxmd.com/read/28655658/multifunctional-peptide-lipid-nanocomplexes-for-efficient-targeted-delivery-of-dna-and-sirna-into-breast-cancer-cells
#8
Yu Wan, Wei Dai, Reshma J Nevagi, Istvan Toth, Peter M Moyle
The development of carriers for the delivery of oligonucleotide therapeutics is essential for the successful translation of gene therapies to the clinic. In the present study, a delivery system, which combines the fusogenic lipid 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine (DOPE) with a well-defined synthetic multifunctional peptide, was produced and optimized for gene delivery, with the aim to develop an efficient gene delivery platform for breast cancer cells. For this purpose, a breast cancer-specific cell targeting peptide (CTP) was incorporated into our leading peptide-based gene delivery system (to generate DEN-K(GALA)-TAT-K(STR)-CTP) to improve its cell-specific internalization, and investigated in combination with a formulation approach (DOPE/1,2-dioleoyl-3-trimethylammonium-propane (DOTAP))...
June 24, 2017: Acta Biomaterialia
https://www.readbyqxmd.com/read/28636818/critical-temperature-of-1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine-monolayers-and-its-possible-biological-relevance
#9
Jordi H Borrell, Òscar Domènech
Because transmembrane proteins (TMPs) can be obtained with sufficient purity for X-ray diffraction studies more frequently than decades ago, their mechanisms of action may now be elucidated. One of the pending issues is the actual interplay between transmembrane proteins and membrane lipids. There is strong evidence of the involvement of specific lipids with some membrane proteins, such as the potassium crystallographically sited activation channel (KcsA) of Streptomyces lividans and the secondary transporter of lactose LacY of Escherichia coli, the activities of which are associated with the presence of anionic phospholipids such as the phosphatidylglycerol (PG) and phosphatidyethanolamine (PE), respectively...
July 5, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28615941/development-and-optimization-of-an-injectable-formulation-of-copper-diethyldithiocarbamate-an-active-anticancer-agent
#10
Mohamed Wehbe, Malathi Anantha, Minghan Shi, Ada Wai-Yin Leung, Wieslawa H Dragowska, Léon Sanche, Marcel B Bally
Copper diethyldithiocarbamate (Cu(DDC)2) is the active anticancer agent generated when disulfiram (DSF) is provided in the presence of copper. To date, research directed toward repurposing DSF as an anticancer drug has focused on administration of DSF and copper in combination, efforts that have proven unsuccessful in clinical trials. This is likely due to the inability to form Cu(DDC)2 at relevant concentrations in regions of tumor growth. Little effort has been directed toward the development of Cu(DDC)2 because of the inherent aqueous insolubility of the complex...
2017: International Journal of Nanomedicine
https://www.readbyqxmd.com/read/28591608/ceramide-c16-is-a-versatile-modulator-of-phosphatidylethanolamine-polymorphism
#11
Mahmoudreza Doroudgar, Michel Lafleur
Ceramide-C16 (CerC16) is a sphingolipid associated with several diseases like diabetes, obesity, Parkinson disease, and certain types of cancers. As a consequence, research efforts are devoted to identify the impact of CerC16 on the behavior of membranes, and to understand how it is involved in these diseases. In this work, we investigated the impacts of CerC16 (up to 20 mol %) on the lipid polymorphism of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine (POPE), using differential scanning calorimetry, and sequential (2)H and (31)P solid-state nuclear magnetic resonance spectroscopy...
June 6, 2017: Biophysical Journal
https://www.readbyqxmd.com/read/28588048/the-sphingosine-1-phosphate-break-down-product-2e-hexadecenal-forms-protein-adducts-and-glutathione-conjugates-in-vitro
#12
Fabian Schumacher, Corinna Neuber, Hannah Finke, Kai Nieschalke, Jessica Baesler, Erich Gulbins, Burkhard Kleuser
Sphingosine 1-phosphate (S1P), a bioactive lipid involved in various physiological processes such as cell proliferation and apoptosis, can be irreversibly cleaved by the S1P lyase, yielding phosphoethanolamine and (2E)-hexadecenal (2EHD). The latter metabolite, an α,β-unsaturated fatty aldehyde, may be susceptible to nucleophilic attack by cellular biomolecules. Hence, we studied whether 2EHD forms reaction products with glutathione (GSH) and proteins in vitro Using liquid chromatography-tandem mass spectrometry (LC-MS/MS) and stable isotopically labeled reference material, we identified a total of nine novel reaction products of 2EHD in a cell-free approach: two GSH conjugates and seven L-amino acid adducts...
June 6, 2017: Journal of Lipid Research
https://www.readbyqxmd.com/read/28587463/lipidomic-profiling-of-human-adipose-tissue-identifies-a-pattern-of-lipids-associated-with-fish-oil-supplementation
#13
Elizabeth G Stanley, Benjamin J Jenkins, Celia G Walker, Albert Koulman, Annette L West, Philip C Calder, Susan A Jebb, Julian Leether Griffin
To understand the interaction between diet and health, biomarkers that accurately reflect consumption of foods of perceived health relevance are needed. The aim of this investigation was to use direct infusion-mass spectrometry (DI-MS) lipidomics to determine the effects of fish oil supplementation on lipid profiles of human adipose tissue. Adipose tissue samples from an n-3 polyunsaturated fatty acid (PUFA) supplementation study (n = 66) were analysed to compare the pattern following supplementation equivalent to 0 or 4 portions of oily fish per week...
June 6, 2017: Journal of Proteome Research
https://www.readbyqxmd.com/read/28585804/membrane-interactions-of-hiapp-monomer-and-oligomer-with-lipid-membranes-by-molecular-dynamics-simulations
#14
Mingzhen Zhang, Baiping Ren, Yonglan Liu, Guizhao Liang, Yan Sun, Lijian Xu, Jie Zheng
Interaction of human islet amyloid polypeptide (hIAPP) peptides with cell membrane is crucial for the understanding of amyloid toxicity associated with Type II diabetes (T2D). While it is known that the hIAPP-membrane interactions are considered to promote hIAPP aggregation into fibrils and induce membrane disruption, the membrane-induced conformation, orientation, aggregation, and adsorption behaviors of hIAPP peptides have not been well understood at atomic level. Herein, we perform all-atom explicit-water molecular dynamics (MD) simulations to study the adsorption, orientation, and surface interaction of hIAPP aggregates with different sizes (monomer to tetramer) and conformations (monomer with α-helix and tetramer with β-sheet-rich U-turn) upon adsorption on the lipid bilayers composed of both pure zwitterionic POPC (1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine) and mixed anionic POPC/POPE (1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine) (3:1) lipids...
June 6, 2017: ACS Chemical Neuroscience
https://www.readbyqxmd.com/read/28583636/metabolic-profile-of-liver-damage-in-non-cirrhotic-virus-c-and-autoimmune-hepatitis-a-proton-decoupled-31-p-mrs-study
#15
Antti Hakkarainen, Lauri Puustinen, Reetta Kivisaari, Sonja Boyd, Urpo Nieminen, Perttu Arkkila, Nina Lundbom
PURPOSE: To study liver (31)P MRS, histology, transient elastography, and liver function tests in patients with virus C hepatitis (HCV) or autoimmune hepatitis (AIH) to test the hypothesis that (31)P MR metabolic profile of these diseases differ. MATERIALS AND METHODS: 25 patients with HCV (n=12) or AIH (n=13) underwent proton decoupled (31)P MRS spectroscopy performed on a 3.0T MR imager. Intensities of phosphomonoesters (PME) of phosphoethanolamine (PE) and phosphocholine (PC), phosphodiesters (PDE) of glycerophosphoethanolamine (GPE) and glycerophosphocholine (GPC), and γ, α and β resonances of adenosine triphosphate (ATP), and nicotinamide adenine dinucleotide phosphate (NADPH) were determined...
May 2017: European Journal of Radiology
https://www.readbyqxmd.com/read/28566741/endometriosis-foci-differentiation-by-rapid-lipid-profiling-using-tissue-spray-ionization-and-high-resolution-mass-spectrometry
#16
Vitaliy V Chagovets, Zhihao Wang, Alexey S Kononikhin, Natalia L Starodubtseva, Anna Borisova, Dinara Salimova, Igor A Popov, Andrey V Kozachenko, Konstantin Chingin, Huanwen Chen, Vladimir E Frankevich, Leila V Adamyan, Gennady T Sukhikh
Obtaining fast screening information on molecular composition of a tissue sample is of great importance for a disease biomarkers search and for online surgery control. In this study, high resolution mass spectrometry analysis of eutopic and ectopic endometrium tissues (90 samples) is done using direct tissue spray mass spectrometry in both positive and negative ion modes. The most abundant peaks in the both ion modes are those corresponding to lipids. Species of three lipid classes are observed, phosphatidylcholines (PC), sphingomyelins (SM) and phosphoethanolamines (PE)...
May 31, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28553112/ionp-doped-nanoparticles-for-highly-effective-nir-controlled-drug-release-and-combination-tumor-therapy
#17
Xudong Fu, Xinjun Wang, Shaolong Zhou, Yanyan Zhang
Despite advances in controlled drug delivery, drug delivery systems (DDSs) with controlled activated drug release and high spatial and temporal resolution are still required. Theranostic nanomedicine is capable of diagnosis, therapy, and monitoring the delivery and distribution of drug molecules and has received growing interest. In this study, a near-infrared light-controlled "off-on" DDS with magnetic resonance imaging and magnetic targeting properties was developed using a hybrid nanoplatform (carbon nanotubes [CNTs]-iron oxide nanoparticle)...
2017: International Journal of Nanomedicine
https://www.readbyqxmd.com/read/28544208/ultra-high-field-magnetic-resonance-spectroscopy-in-non-alcoholic-fatty-liver-disease-novel-mechanistic-and-diagnostic-insights-of-energy-metabolism-in-non-alcoholic-steatohepatitis-and-advanced-fibrosis
#18
Stefan Traussnigg, Christian Kienbacher, Martin Gajdošík, Ladislav Valkovič, Emina Halilbasic, Judith Stift, Christian Rechling, Harald Hofer, Petra Steindl-Munda, Peter Ferenci, Fritz Wrba, Siegfried Trattnig, Martin Krššák, Michael Trauner
BACKGROUND & AIMS: With the rising prevalence of non-alcoholic fatty liver disease (NAFLD) and steatohepatitis (NASH) non-invasive tools obtaining pathomechanistic insights to improve risk stratification are urgently needed. We therefore explored high- and ultra-high-field magnetic resonance spectroscopy (MRS) to obtain novel mechanistic and diagnostic insights into alterations of hepatic lipid, cell membrane and energy metabolism across the spectrum of NAFLD. METHODS: MRS and liver biopsy were performed in 30 NAFLD patients with NAFL (n=8) or NASH (n=22)...
April 24, 2017: Liver International: Official Journal of the International Association for the Study of the Liver
https://www.readbyqxmd.com/read/28513140/hybrid-prodrug-nanoparticles-with-tumor-penetration-and-programmed-drug-activation-for-enhanced-chemoresistant-cancer-therapy
#19
Caiyan Zhao, Leihou Shao, Jianqing Lu, Xiongwei Deng, Yujia Tong, Yan Wu
Despite nanomedicine having shown great potential for reversing cancer cell resistance, the suboptimal transport across multiple biological obstacles seriously impedes its reaching targets at an efficacious level, which remains a challenging hurdle for clinical success in resistant cancer therapy. Here, a lipid-based hybrid nanoparticle was designed to efficiently deliver the therapeutics to resistant cells and treat resistant cancer in vivo. The hybrid nanoparticles (D-NPs/tetrandrine (TET)) are composed of a pH-responsive prodrug 1,2-distearoyl-sn-glycero-3-phosphoethanolamine (DSPE)-doxorubicin (DOX), an efflux inhibitor TET, and a surfactant DSPE-[methoxy (poly(ethylene glycol))-2000] (DSPE-mPEG2000), which hierarchically combatted the sequential physiological and pathological barriers of drug resistance and exhibited prolonged blood circulation, high tumor accumulation, and deep tumor parenchyma penetration...
June 7, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28487815/phospholipid-arrays-on-porous-polymer-coatings-generated-by-micro-contact-spotting
#20
Sylwia Sekula-Neuner, Monica de Freitas, Lea-Marie Tröster, Tobias Jochum, Pavel A Levkin, Michael Hirtz, Harald Fuchs
Nanoporous poly(2-hydroxyethyl methacrylate-co-ethylene dimethacrylate) (HEMA-EDMA) is used as a 3D mesh for spotting lipid arrays. Its porous structure is an ideal matrix for lipid ink to infiltrate, resulting in higher fluorescent signal intensity as compared to similar arrays on strictly 2D substrates like glass. The embedded lipid arrays show high stability against washing steps, while still being accessible for protein and antibody binding. To characterize binding to polymer-embedded lipids we have applied Streptavidin as well as biologically important biotinylated androgen receptor binding onto 1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine-N-(cap biotinyl) (Biotinyl Cap PE) and anti-DNP IgE recognition of 2,4-dinitrophenyl[1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine-N-[6-[(2,4-dinitrophenyl)amino]hexanoyl] (DNP)] antigen...
2017: Beilstein Journal of Nanotechnology
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