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https://www.readbyqxmd.com/read/28430150/synthesis-and-self-assembly-of-shape-amphiphiles-based-on-poss-dendron-conjugates
#1
Yu Shao, Minyuan Ding, Yujie Xu, Fangjia Zhao, Hui Dai, Xia-Ran Miao, Shuguang Yang, Hui Li
Shape has been increasingly recognized as an important factor for self-assembly. In this paper, a series of shape amphiphiles have been built by linking polyhedral oligomeric silsesquioxane (POSS) and a dendron via linkers of different lengths. Three conjugates of octahedral silsesquioxanes (T₈-POSS) and dendron are designed and synthesized and are referred to as isobutyl T₈-POSS gallic acid derivatives (BPOSS-GAD-1, BPOSS-GAD-2, BPOSS-GAD-3). These samples have been fully characterized by ¹H-NMR, (13)C-NMR, Fourier transform infrared (FT-IR) spectroscopy and matrix-assisted laser desorption/ionization time of flight (MALDI-TOF) mass spectrometry to establish their chemical identity and purity...
April 21, 2017: Molecules: a Journal of Synthetic Chemistry and Natural Product Chemistry
https://www.readbyqxmd.com/read/28429294/ocular-cubosome-drug-delivery-system-for-timolol-maleate-preparation-characterization-cytotoxicity-ex-vivo-and-in-vivo-evaluation
#2
Jiayuan Huang, Tingting Peng, Yanrong Li, Zhengwen Zhan, Youmei Zeng, Ying Huang, Xin Pan, Chuan-Yu Wu, Chuanbin Wu
Glaucoma is an ocular disease featuring increased intraocular pressure (IOP) and its primary treatment strategy is to lower IOP by medication. Current ocular drug delivery in treating glaucoma is confronting a variety of challenges, such as low corneal permeability and bioavailability due to the unique anatomical structure of the human eye. To tackle these challenges, a cubosome drug delivery system for glaucoma treatment was constructed for timolol maleate (TM) in this study. The TM cubosomes (liquid crystalline nanoparticles) were prepared using glycerol monooleate and poloxamer 407 via high-pressure homogenization...
April 20, 2017: AAPS PharmSciTech
https://www.readbyqxmd.com/read/28428550/structure-based-dynamic-arrays-in-regulatory-domains-of-sodium-calcium-exchanger-ncx-isoforms
#3
Moshe Giladi, Su Youn Lee, Yarden Ariely, Yotam Teldan, Rotem Granit, Roi Strulovich, Yoni Haitin, Ka Young Chung, Daniel Khananshvili
Mammalian Na(+)/Ca(2+) exchangers, NCX1 and NCX3, generate splice variants, whereas NCX2 does not. The CBD1 and CBD2 domains form a regulatory tandem (CBD12), where Ca(2+) binding to CBD1 activates and Ca(2+) binding to CBD2 (bearing the splicing segment) alleviates the Na(+)-induced inactivation. Here, the NCX2-CBD12, NCX3-CBD12-B, and NCX3-CBD12-AC proteins were analyzed by small-angle X-ray scattering (SAXS) and hydrogen-deuterium exchange mass-spectrometry (HDX-MS) to resolve regulatory variances in the NCX2 and NCX3 variants...
April 20, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28428544/strain-softening-of-nano-scale-fuzzy-interfaces-causes-mullins-effect-in-thermoplastic-polyurethane
#4
T Sui, E Salvati, S Ying, G Sun, I P Dolbnya, K Dragnevski, C Prisacariu, A M Korsunsky
The strain-induced softening of thermoplastic polyurethane elastomers (TPUs), known as the Mullins effect, arises from their multi-phase structure. We used the combination of small- and wide- angle X-ray scattering (SAXS/WAXS) during in situ repeated tensile loading to elucidate the relationship between molecular architecture, nano-strain, and macro-scale mechanical properties. Insights obtained from our analysis highlight the importance of the 'fuzzy interface' between the hard and soft regions that governs the structure evolution at nanometre length scales and leads to macroscopic stiffness reduction...
April 20, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28423895/supramolecularly-engineered-%C3%AF-amphiphile
#5
Priya Rajdev, Saptarshi Chakraborty, Marc Schmutz, Philippe J Mésini, Suhrit Ghosh
This article describes self-assembly of supramolecularly engineered naphthalene-diimide (NDI) derived amphiphiles NDI-1 and NDI-2. They have the same hydrophobic/ hydrophilic balance but merely differ by a single functional group, amide or ester, respectively. They exhibit distinct self-assembly in water; NDI-1 form hydrogel which upon aging forms crystals while NDI-2 forms micelle as revealed by in-depth structural analysis using cryo-TEM, DLS and SAXS studies. These results suggest H-bonding among the amide groups fully regulates the self-assembly by overruling the packing parameters...
April 20, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28421215/control-of-supramolecular-nanoassemblies-by-tuning-the-interactions-of-bent-shaped-rod-coil-molecules
#6
Shengnan You, Keli Zhong, Long Yi Jin
Rod-coil molecules 1a, 1b and 2a, 2b, consisting of biphenyl and phenyl units connected by an acetylene bond as the rod segment and oligo(ethylene glycol) (OEG) as the coil segment, were synthesized and characterized. Molecules 1a and 1b incorporate a butoxy group at the apex of their bent-shaped rigid building blocks, while both 1b and 2b contain a lateral methyl group between the rod and coil segments. The self-assembling behavior of these molecules was investigated using DSC, SAXS, CD, AFM, and TEM in bulk and aqueous solutions...
April 19, 2017: Soft Matter
https://www.readbyqxmd.com/read/28418559/annals-for-hospitalists-inpatient-notes-human-factors-engineering-and-inpatient-care-new-ways-to-solve-old-problems
#7
Lauren Clack, Hugo Sax
No abstract text is available yet for this article.
April 18, 2017: Annals of Internal Medicine
https://www.readbyqxmd.com/read/28417374/probing-the-complex-architecture-of-multimodular-carbohydrate-active-enzymes-using-a-combination-of-small-angle-x-ray-scattering-and-x-ray-crystallography
#8
Mirjam Czjzek, Elizabeth Ficko-Blean
The various modules in multimodular carbohydrate-active enzymes (CAZymes) may function in catalysis, carbohydrate binding, protein-protein interactions or as linkers. Here, we describe how combining the biophysical techniques of Small Angle X-ray Scattering (SAXS) and macromolecular X-ray crystallography (XRC) provides a powerful tool for examination into questions related to overall structural organization of ultra multimodular CAZymes.
2017: Methods in Molecular Biology
https://www.readbyqxmd.com/read/28414449/time-dependent-ph-scanning-of-the-acid-induced-unfolding-of-human-serum-albumin-reveals-stabilization-of-the-native-form-by-palmitic-acid-binding
#9
Alessandra Del Giudice, Cedric Dicko, Luciano Galantini, Nicolae Viorel Pavel
The most abundant plasma protein, Human Serum Albumin (HSA), is known to undergo several conformational transitions in acidic environment. To avoid buffer effects and correlate global and local structural changes, we developed a continuous acidification method and simultaneously monitored the protein changes by both small-angle scattering (SAXS) and fluorescence. The progressive acidification, based on the hydrolysis of glucono-δ-lactone from pH 7 to pH 2.5, highlighted a multi-step unfolding involving the putative F form (pH 4) and an extended and flexible conformation (pH < 3...
April 17, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28402873/saxs-oriented-ensemble-refinement-of-flexible-biomolecules
#10
Peng Cheng, Junhui Peng, Zhiyong Zhang
The conformational flexibility of a biomolecule may play a crucial role in its biological function. Small-angle x-ray scattering (SAXS) is a very popular technique for characterizing biomolecule flexibility. It can be used to determine a possible structural ensemble of the biomolecule in solution with the aid of a computer simulation. In this article, we present a tool written in Python, which iteratively runs multiple independent enhanced sampling simulations such as amplified collective motions and accelerated molecular dynamics, and an ensemble optimization method to drive the biomolecule toward an ensemble that fits the SAXS data well...
April 11, 2017: Biophysical Journal
https://www.readbyqxmd.com/read/28398743/protein-immobilization-onto-cationic-spherical-polyelectrolyte-brushes-studied-by-small-angle-x-ray-scattering
#11
Weihua Wang, Li Li, Katja Henzler, Yan Lu, Junyou Wang, Haoya Han, Yuchuan Tian, Yunwei Wang, Zhiming Zhou, Gudrun Lotze, Theyencheri Narayanan, Matthias Ballauff, Xuhong Guo
The immobilization of bovine serum albumins (BSA) onto cationic spherical polyelectrolyte brushes (SPB) consisting of a solid polystyrene (PS) core and a densely grafted poly(2-aminoethyl methacrylate hydrochloride) (PAEMH) shell was studied by small-angle X-ray scattering (SAXS). The observed dynamics of adsorption of BSA onto SPB by time-resolved SAXS can be divided into two stages. In the first stage (tens of milliseconds), the added proteins as in-between bridge instantaneously caused the aggregation of SPB...
April 20, 2017: Biomacromolecules
https://www.readbyqxmd.com/read/28398035/suppressing-structural-colors-of-photocatalytic-optical-coatings-on-glass-the-critical-role-of-sio2
#12
Ronghua Li, Mickael Boudot, Cédric Boissière, David Grosso, Marco Faustini
The appearance of structural colors on coated-glass is a critical esthetical drawback toward industrialization of photocatalytic coatings on windows for architecture or automobile. Herein we describe a rational approach to suppress the structural color of mesoporous TiO2-based coatings preserving photoactivity and mechanical stiffness. Addition of SiO2 as third component is discussed. TixSi(1-x)O2 mesoporous coatings were fabricated by one-step liquid deposition process through the evaporation induced self-assembling and characterized by GI-SAXS, GI-WAXS, electron microscopies, and in situ Environmental Ellipsometry Porosimetry...
April 13, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28397397/the-structural-basis-for-the-functional-comparability-of-factor-viii-and-the-long-acting-variant-recombinant-factor-viii-fc-fusion-protein
#13
N C Leksa, P-L Chiu, G M Bou-Assaf, C Quan, Z Liu, A B Goodman, M G Chambers, S E Tsutakawa, M Hammel, R T Peters, T Walz, J D Kulman
BACKGROUND: Fusion of the human IgG1 Fc domain to the C-terminal C2 domain of B domain-deleted (BDD) factor VIII (FVIII) results in the rFVIIIFc fusion protein that has a 1.5-fold longer half-life in humans. OBJECTIVE: To assess the structural properties of rFVIIIFc by comparing its constituent FVIII and Fc elements with their respective isolated components and evaluating their structural independence within rFVIIIFc. METHODS: rFVIIIFc and its isolated FVIII and Fc components were compared by hydrogen-deuterium exchange mass spectrometry (HDX-MS)...
April 11, 2017: Journal of Thrombosis and Haemostasis: JTH
https://www.readbyqxmd.com/read/28392383/fibrillar-assembly-of-bacterial-cellulose-in-the-presence-of-wood-based-hemicelluloses
#14
Paavo A Penttilä, Tomoya Imai, Junji Sugiyama
Composite materials mimicking the plant cell wall structure were made by culturing cellulose-producing bacteria together with secondary-wall hemicelluloses from wood. The effects of spruce galactoglucomannan (GGM) and beech xylan on the nanoscale morphology of bacterial cellulose were studied in the original, hydrated state with small-angle X-ray scattering (SAXS). The SAXS intensities were fitted with a model covering multiple levels of the hierarchical structure. Additional information on the structure of dried samples was obtained using scanning and transmission electron microscopy and infra-red spectroscopy...
April 6, 2017: International Journal of Biological Macromolecules
https://www.readbyqxmd.com/read/28388153/nanostructured-solvation-in-mixtures-of-protic-ionic-liquids-and-long-chained-alcohols
#15
Hadrián Montes-Campos, José M Otero-Mato, Trinidad Méndez-Morales, Elena López-Lago, Olga Russina, Oscar Cabeza, Luis J Gallego, Luis M Varela
The structural and dynamical properties of bulk mixtures of long-chained primary and secondary alcohols (propanol, butanol, and 2-pentanol) with protic ionic liquids (ethylammonium and butylammonium nitrate) were studied by means of molecular dynamics simulations and small angle X-ray scattering (SAXS). Changes in the structure with the alcohol concentration and with the alkyl chain length of the alcohol moieties were found, showing variations in the radial distribution function and in the number of hydrogen bonds in the bulk liquids...
March 28, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28383784/folding-topology-of-a-short-coiled-coil-peptide-structure-templated-by-an-oligonucleotide-triplex
#16
Chenguang Lou, Niels Johan Christensen, Manuel C Martos-Maldonado, Søren Roi Midtgaard, Maria Ejlersen, Peter W Thulstrup, Kasper K Sørensen, Knud J Jensen, Jesper Wengel
The rational design of a well-defined protein-like tertiary structure formed by small peptide building blocks is still a formidable challenge. Using peptide-oligonucleotide conjugates (POC) as building blocks, we here present the self-assembly of miniature coiled coil α-helical peptides guided by oligonucleotide duplex and triplex formation. POC synthesis was achieved by copper-free alkyne-azide cycloaddition between three oligonucleotides and a 23-mer peptide, which by itself exhibited multiple oligomeric states in solution...
April 6, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28381982/quantitative-evaluation-of-statistical-errors-in-small-angle-x-ray-scattering-measurements
#17
Steffen M Sedlak, Linda K Bruetzel, Jan Lipfert
A new model is proposed for the measurement errors incurred in typical small-angle X-ray scattering (SAXS) experiments, which takes into account the setup geometry and physics of the measurement process. The model accurately captures the experimentally determined errors from a large range of synchrotron and in-house anode-based measurements. Its most general formulation gives for the variance of the buffer-subtracted SAXS intensity σ(2)(q) = [I(q) + const.]/(kq), where I(q) is the scattering intensity as a function of the momentum transfer q; k and const...
April 1, 2017: Journal of Applied Crystallography
https://www.readbyqxmd.com/read/28381973/saxs-analysis-of-single-and-multi-core-iron-oxide-magnetic-nanoparticles
#18
Wojciech Szczerba, Rocio Costo, Sabino Veintemillas-Verdaguer, Maria Del Puerto Morales, Andreas F Thünemann
This article reports on the characterization of four superparamagnetic iron oxide nanoparticles stabilized with dimercaptosuccinic acid, which are suitable candidates for reference materials for magnetic properties. Particles p1 and p2 are single-core particles, while p3 and p4 are multi-core particles. Small-angle X-ray scattering analysis reveals a lognormal type of size distribution for the iron oxide cores of the particles. Their mean radii are 6.9 nm (p1), 10.6 nm (p2), 5.5 nm (p3) and 4.1 nm (p4), with narrow relative distribution widths of 0...
April 1, 2017: Journal of Applied Crystallography
https://www.readbyqxmd.com/read/28381972/nist-standard-reference-material-3600-absolute-intensity-calibration-standard-for-small-angle-x-ray-scattering
#19
Andrew J Allen, Fan Zhang, R Joseph Kline, William F Guthrie, Jan Ilavsky
The certification of a new standard reference material for small-angle scattering [NIST Standard Reference Material (SRM) 3600: Absolute Intensity Calibration Standard for Small-Angle X-ray Scattering (SAXS)], based on glassy carbon, is presented. Creation of this SRM relies on the intrinsic primary calibration capabilities of the ultra-small-angle X-ray scattering technique. This article describes how the intensity calibration has been achieved and validated in the certified Q range, Q = 0.008-0.25 Å(-1), together with the purpose, use and availability of the SRM...
April 1, 2017: Journal of Applied Crystallography
https://www.readbyqxmd.com/read/28381773/a-novel-chemical-enhancer-approach-for-transdermal-drug-delivery-with-c17-monoglycerol-ester-liquid-crystal-forming-lipid
#20
Wesam R Kadhum, Shohei Sekiguchi, Ichiro Hijikuro, Hiroaki Todo, Kenji Sugibayashi
Transdermal administration of drugs represents an excellent alternative to conventional pharmaceutical dosage forms. However, insufficient penetration of the active pharmaceutical substance through the skin is a common problem. Thus, in the present study we evaluated the skin permeation enhancing ability of liquid crystal (LC) topical formulations. A recently developed LC-forming lipid, C17-monoglycerol ester (MGE), was evaluated and compared with glycerol monoolate (GMO), which is considered as the gold standard for LC formulations...
April 4, 2017: Journal of Oleo Science
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