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https://www.readbyqxmd.com/read/29140279/free-standing-and-self-crosslinkable-hybrid-films-by-core-shell-particle-design-and-processing
#1
Steffen Vowinkel, Stephen Paul, Torsten Gutmann, Markus Gallei
The utilization and preparation of functional hybrid films for optical sensing applications and membranes is of utmost importance. In this work, we report the convenient and scalable preparation of self-crosslinking particle-based films derived by directed self-assembly of alkoxysilane-based cross-linkers as part of a core-shell particle architecture. The synthesis of well-designed monodisperse core-shell particles by emulsion polymerization is the basic prerequisite for subsequent particle processing via the melt-shear organization technique...
November 15, 2017: Nanomaterials
https://www.readbyqxmd.com/read/29139294/improved-electrostatic-embedding-for-fragment-based-chemical-shift-calculations-in-molecular-crystals
#2
Joshua D Hartman, Ashwin Balaji, Gregory J O Beran
Fragment-based methods predict nuclear magnetic resonance (NMR) chemical shielding tensors in molecular crystals with high accuracy and computational efficiency. Such methods typically employ electrostatic embedding to mimic the crystalline environment, and the quality of the results can be sensitive to the embedding treatment. To improve the quality of this embedding environment for fragment-based molecular crystal property calculations, we borrow ideas from the embedded ion method to incorporate self-consistently polarized Madelung field effects...
November 15, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/29138954/identification-of-compounds-from-palicourea-rigida-leaves-with-topical-anti-inflammatory-potential-using-experimental-models
#3
Rafael P Pinheiro, Muiara A Moraes, Bruna C S Santos, Rodrigo L Fabri, Glauciemar Del-Vechio-Vieira, Célia H Yamamoto, Ana Lúcia S M Araújo, Aílson L A Araújo, Orlando V Sousa
Palicourea rigida Kunth is traditionally used for the treatment of skin diseases, kidney pains and ovarian inflammation. Based on these traditional uses, this study evaluated the topical anti-inflammatory activity of the ethanol extract from P. rigida leaves (EEPR) and identified bioactive compounds. Ear edema was induced in Swiss mice by the topical application of Croton oil, arachidonic acid, phenol and capsaicin. Histopathological analysis and myeloperoxidase and N-acetyl-β-D-glucosaminidase activities were determined...
November 14, 2017: Inflammopharmacology
https://www.readbyqxmd.com/read/29138636/stem-cell-tracking-technologies-for-neurological-regenerative-medicine-purposes
#4
REVIEW
Yongtao Zheng, Jiongwei Huang, Tongming Zhu, Ronggang Li, Zhifu Wang, Fukai Ma, Jianhong Zhu
The growing field of stem cell therapy is moving toward clinical trials in a variety of applications, particularly for neurological diseases. However, this translation of cell therapies into humans has prompted a need to create innovative and breakthrough methods for stem cell tracing, to explore the migration routes and its reciprocity with microenvironment targets in the body, to monitor and track the outcome after stem cell transplantation therapy, and to track the distribution and cell viability of transplanted cells noninvasively and longitudinally...
2017: Stem Cells International
https://www.readbyqxmd.com/read/29138048/in-vitro-and-in-vivo-cytotoxicity-and-efficacy-evaluation-of-novel-glycyl-glycine-and-alanyl-alanine-conjugates-of-chitosan-and-trimethyl-chitosan-nano-particles-as-carriers-for-oral-insulin-delivery
#5
Nersi Jafary Omid, Nika Bahari Javan, Ahmad-Reza Dehpour, Alireza Partoazar, Morteza Rafiee Tehrani, Farid Dorkoosh
PURPOSE: The aim of this research work was to explore the possibility of providing multifunctional oral insulin delivery system by conjugating several types of dipeptides on chitosan and trimethyl chitosan to be used as drug carriers. METHOD: Conjugates of Glycyl-glycine and alanyl-alanine of chitosan and trimethyl chitosan (on primary alcohol group of polymer located on carbon 6) were synthesized and nanoparticles containing insulin were prepared for oral delivery...
November 11, 2017: International Journal of Pharmaceutics
https://www.readbyqxmd.com/read/29136819/alteration-in-the-liver-metabolome-of-rats-with-metabolic-syndrome-after-treatment-with-hydroxytyrosol-a-mass-spectrometry-and-nuclear-magnetic-resonance-based-metabolomics-study
#6
Ioanna Dagla, Dimitra Benaki, Eirini Baira, Nikolaos Lemonakis, Hemant Poudyal, Lindsay Brown, Anthony Tsarbopoulos, Alexios-Leandros Skaltsounis, Emmanouel Mikros, Evagelos Gikas
Metabolic syndrome (MetS) represents a group of abnormalities that enhances the risk for cardiovascular disease, diabetes and stroke. The Mediterranean diet seems to be an important dietary pattern, which reduces the incidence of MetS. Hydroxytyrosol (HT) - a simple phenol found in olive oil - has received increased attention for its antioxidant activity. Recently, the European Foods Safety Authority (EFSA) claimed that dietary consumption of HT exhibits a protective role against cardiovascular disease. In this study, an experimental protocol has been setup, including isolated HT administration in a diet induced model of MetS in young Wistar rats, in order to find out whether HT has a protective effect against MetS...
February 1, 2018: Talanta
https://www.readbyqxmd.com/read/29136787/-1-h-nmr-assisted-quantification-of-glycerol-carbonate-in-the-mixture-of-glycerol-and-glycerol-carbonate
#7
Avneet Kaur, Ranjana Prakash, Amjad Ali
Glycerol carbonate (GLC) is a very important chemical having a variety of application viz., green solvent in organic synthesis, an electrolyte in lithium batteries, wetting agent in cosmetics and precursor in polymer and food industry for the synthesis of 1,3-sn-diglycerides. Hence, it is vital to find out the quick and simple method for the quantification of GLC when it is synthesized via dimethyl carbonate (DMC) assisted transesterification with glycerol (GL). Present study, proposes simple, accurate and non destructive quantitative proton nuclear magnetic resonance (qHNMR) method for the determination of GLC...
February 1, 2018: Talanta
https://www.readbyqxmd.com/read/29136753/-metabolomics-study-of-tris-2-chloroethyl-phosphate-induced-hepaotoxicity-and-nephrotoxicity-in-sprague-dawley-rats
#8
W Q Yang, F Zhao, L Li, Y J Fang
Objective: To discuss the potential toxic target organ and the toxic effects and mechanisms of tris (2-chloroethyl) phosphate (TCEP) on SD rats. Methods: 40 female SD rats weaning from milk for 21 days, weighted (50±2.3)g were selected as subjects and marked by the weight. They were randomly divided into 4 groups, namely control group, 50 (L), 100 (M) and 250 (H) mg·kg(-1)·d(-1) dose of TCEP group. Each group has 10 rats, and administrated the corresponding dose of drug or vehicle by mouth, quaque die for 60 days...
November 6, 2017: Zhonghua Yu Fang Yi Xue za Zhi [Chinese Journal of Preventive Medicine]
https://www.readbyqxmd.com/read/29136363/dynamic-stabilization-of-the-ligand-metal-interface-in-atomically-precise-gold-nanoclusters-au68-and-au144-protected-by-meta-mercaptobenzoic-acid
#9
Tiia-Riikka Tero, Sami Malola, Benedek Koncz, Emmi Pohjolainen, Saara Lautala, Satu Mustalahti, Perttu Permi, Gerrit Groenhof, Mika Pettersson, Hannu Häkkinen
Ligand-stabilized, atomically precise gold nanoclusters with a metal core of a uniform size of just 1 - 3 nm constitute an interesting class of nanomaterials with versatile possibilities for applications due to their size dependent properties and modifiable ligand layers. The key to extending the usability of the clusters in applications is to understand the chemical bonding in the ligand layer as a function of cluster size and ligand structure. Previously, it has been shown that monodispersed gold nanoclusters, stabilized by meta-mercaptobenzoic acid (m-MBA or 3-MBA) ligands and with sizes of 68 to 144 gold atoms, show ambient stability...
November 14, 2017: ACS Nano
https://www.readbyqxmd.com/read/29136239/changes-in-membrane-lipid-composition-and-function-accompanying-chilling-injury-in-bell-peppers
#10
Ximan Kong, Baodong Wei, Zhu Gao, Ying Zhou, Fei Shi, Xin Zhou, Qian Zhou, Shujuan Ji
Bell peppers are vulnerable to low temperature (below 7 °C) and subject to chilling injury (CI). To elucidate the relationship between cell membrane lipid composition and CI, a membrane lipidomic approach was carried out. In addition, we performed microstructural analysis and low-field nuclear magnetic resonance to better understand CI. We also monitored primary physiological metabolism parameters to explain lipidomics. Our study indicated that cellular structure damage was more serious at 4 °C, mostly represented by plasmalemma damage and plastid degradation...
November 9, 2017: Plant & Cell Physiology
https://www.readbyqxmd.com/read/29136219/mobidb-3-0-more-annotations-for-intrinsic-disorder-conformational-diversity-and-interactions-in-proteins
#11
Damiano Piovesan, Francesco Tabaro, Lisanna Paladin, Marco Necci, Ivan Micetic, Carlo Camilloni, Norman Davey, Zsuzsanna Dosztányi, Bálint Mészáros, Alexander M Monzon, Gustavo Parisi, Eva Schad, Pietro Sormanni, Peter Tompa, Michele Vendruscolo, Wim F Vranken, Silvio C E Tosatto
The MobiDB (URL: mobidb.bio.unipd.it) database of protein disorder and mobility annotations has been significantly updated and upgraded since its last major renewal in 2014. Several curated datasets for intrinsic disorder and folding upon binding have been integrated from specialized databases. The indirect evidence has also been expanded to better capture information available in the PDB, such as high temperature residues in X-ray structures and overall conformational diversity. Novel nuclear magnetic resonance chemical shift data provides an additional experimental information layer on conformational dynamics...
November 10, 2017: Nucleic Acids Research
https://www.readbyqxmd.com/read/29135954/effect-of-structure-on-charge-distribution-in-the-isatin-anions-in-aprotic-environment-spectral-study
#12
Pavol Tisovský, Róbert Šandrik, Miroslav Horváth, Jana Donovalová, Juraj Filo, Martin Gáplovský, Klaudia Jakusová, Marek Cigáň, Róbert Sokolík, Anton Gáplovský
Five isatin anions were prepared by deprotonation of initial isatins in aprotic solvents using basic fluoride and acetate anions (F(-) and CH₃COO(-)). The F(-) basicity is sufficient to deprotonate isatin NH hydrogen from all the studied compounds. This process is reversible. In the presence of proton donor solvents, the anions form the corresponding isatins. The isatin hydrogen acidity depends on the overall structure of the isatin derivatives. The anions were characterized by ultraviolet-visible (UV-Vis), Fourier transform infrared (FTIR) and nuclear magnetic resonance (NMR) spectroscopy...
November 14, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/29135916/lactones-from-the-sponge-derived-fungus-talaromyces-rugulosus
#13
Lisa Küppers, Weaam Ebrahim, Mona El-Neketi, Ferhat C Özkaya, Attila Mándi, Tibor Kurtán, Raha S Orfali, Werner E G Müller, Rudolf Hartmann, Wenhan Lin, Weiguo Song, Zhen Liu, Peter Proksch
The marine-derived fungus Talaromyces rugulosus isolated from the Mediterranean sponge Axinella cannabina and cultured on solid rice medium yielded seventeen lactone derivatives including five butenolides (1-5), seven (3S)-resorcylide derivatives (6-12), two butenolide-resorcylide dimers (13 and 14), and three dihydroisocoumarins (15-17). Among them, fourteen compounds (1-3, 6-16) are new natural products. The structures of the isolated compounds were elucidated by 1D and 2D NMR (Nuclear Magnetic Resonance) spectroscopy as well as by ESI-HRMS (ElectroSpray Ionization-High Resolution Mass Spectrometry)...
November 14, 2017: Marine Drugs
https://www.readbyqxmd.com/read/29135266/fast-metabolite-identification-in-nuclear-magnetic-resonance-metabolomic-studies-statistical-peak-sorting-and-peak-overlap-detection-for-more-reliable-database-queries
#14
Pablo A Hoijemberg, Istvan Pelczer
A lot of time is spent by researchers in the identification of metabolites in NMR-based metabolomic studies. The usual metabolite identification starts employing public or commercial databases to match chemical shifts thought to belong to a given compound. Statistical total correlation spectroscopy (STOCSY), in use for more than a decade, speeds the process by finding statistical correlations among peaks, being able to create a better peak list as input for the database query. However, the (normally not automated) analysis becomes challenging due to the intrinsic issue of peak overlap, where correlations of more than one compound appear in the STOCSY trace...
November 14, 2017: Journal of Proteome Research
https://www.readbyqxmd.com/read/29134578/experimental-and-computational-comparative-study-of-the-supercritical-fluid-technology-sft-and-kneading-method-in-preparing-%C3%AE-cyclodextrin-complexes-with-two-essential-oils-linalool-and-carvacrol
#15
Nizar A Al-Shar'i, Rana M Obaidat
Supercritical fluid technology (SFT) offers many advantages as a potential complexation method compared to the conventional kneading technique. Its applicability to processess in which solvents are not required is a significant benefit. The main aim of this study was to evaluate, experimentally and computationally, the applicability of SFT in the preparation of β-cyclodextrin complexes with two selected essential oils, namely, carvacrol and linalool. Preparation of the complexes was performed using kneading and SFT method...
November 13, 2017: AAPS PharmSciTech
https://www.readbyqxmd.com/read/29134367/imaging-of-cardiovascular-disease-in-pregnancy-and-the-peripartum-period
#16
REVIEW
Theodore Pierce, Meline Hovnanian, Sandeep Hedgire, Brian Ghoshhajra
Cardiovascular disease is an important cause of morbidity and mortality during pregnancy and the postpartum period. During pregnancy, the cardiovascular system undergoes extensive hemodynamic, hormonal, and microstructural changes which may exacerbate a preexisting underlying cardiovascular condition or predispose to cardiovascular complications not typically seen in young healthy women. Such conditions include spontaneous coronary artery dissection, atherosclerotic coronary artery disease, and peripartum cardiomyopathy...
November 14, 2017: Current Treatment Options in Cardiovascular Medicine
https://www.readbyqxmd.com/read/29134077/investigation-of-the-acid-base-behaviour-of-the-opium-alkaloid-thebaine-in-lc-esi-ms-mobile-phase-by-nmr-spectroscopy
#17
Michelle G Carlin, John R Dean, Jonathan L Bookham, Justin J B Perry
As part of a research programme to establish an analytical method for the simultaneous detection of the five major opium alkaloids in poppy seeds by liquid chromatography-electrospray ionization-mass spectrometry (LC-ESI-MS) it was discovered that the inclusion of thebaine produced two peaks for the same compound. This was in contrast to the effective simultaneous detection, by LC-ESI-MS, of morphine, codeine, papaverine and noscapine. The presence of these two peaks for thebaine was investigated using nuclear magnetic resonance spectroscopy with deuterated solvents to emulate the mobile phase conditions experienced...
October 2017: Royal Society Open Science
https://www.readbyqxmd.com/read/29133981/electrostatic-interactions-between-polyglutamic-acid-and-polylysine-yields-stable-polyion-complex-micelles-for-deoxypodophyllotoxin-delivery
#18
Yutong Wang, Liping Huang, Yan Shen, Lidan Tang, Runing Sun, Di Shi, Thomas J Webster, Jiasheng Tu, Chunmeng Sun
To achieve enhanced physical stability of poly(ethylene glycol)-poly(d,l-lactide) polymeric micelles (PEG-PDLLA PMs), a mixture of methoxy PEG-PDLLA-polyglutamate (mPEG-PDLLA-PLG) and mPEG-PDLLA-poly(l-lysine) (mPEG-PDLLA-PLL) copolymers was applied to self-assembled stable micelles with polyion-stabilized cores. Prior to micelle preparation, the synthetic copolymers were characterized by (1)H-nuclear magnetic resonance (NMR) and infrared spectroscopy (IR), and their molecular weights were calculated by (1)H-NMR and gel permeation chromatography (GPC)...
2017: International Journal of Nanomedicine
https://www.readbyqxmd.com/read/29133807/apelin-conformational-and-binding-equilibria-upon-micelle-interaction-primarily-depend-on-membrane-mimetic-headgroup
#19
Kyungsoo Shin, Muzaddid Sarker, Shuya K Huang, Jan K Rainey
Apelin is one of two peptide hormones that activate the apelin receptor (AR or APJ) to regulate the cardiovascular system, central nervous system, and adipoinsular axis. Here, we apply circular dichroism (CD) spectropolarimetry and nuclear magnetic resonance (NMR) spectroscopy to characterize the potential membrane binding by the two longest bioactive apelin isoforms, apelin-55 and -36, using membrane-mimetic dodecylphosphocholine (DPC), sodium dodecyl sulfate (SDS), and 1-palmitoyl-2-hydroxy-sn-glycero-3-[phospho-rac-(1-glycerol)] (LPPG) micelles...
November 13, 2017: Scientific Reports
https://www.readbyqxmd.com/read/29133469/an-invisible-ubiquitin-conformation-is-required-for-efficient-phosphorylation-by-pink1
#20
Christina Gladkova, Alexander F Schubert, Jane L Wagstaff, Jonathan N Pruneda, Stefan M V Freund, David Komander
The Ser/Thr protein kinase PINK1 phosphorylates the well-folded, globular protein ubiquitin (Ub) at a relatively protected site, Ser65. We previously showed that Ser65 phosphorylation results in a conformational change in which Ub adopts a dynamic equilibrium between the known, common Ub conformation and a distinct, second conformation wherein the last β-strand is retracted to extend the Ser65 loop and shorten the C-terminal tail. We show using chemical exchange saturation transfer (CEST) nuclear magnetic resonance experiments that a similar, C-terminally retracted (Ub-CR) conformation also exists at low population in wild-type Ub...
November 13, 2017: EMBO Journal
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