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Young-Sam Park, Kyung-Hoon Han, Jehan Kim, Doo-Hee Cho, Jonghee Lee, Yoonjay Han, Jong Tae Lim, Nam Sung Cho, Byounggon Yu, Jeong-Ik Lee, Jang-Joo Kim
To date, all deposition equipment has been developed to produce planar films. Thus lens arrays with a lens diameter of <1 mm have been manufactured by combining deposition with other technologies, such as masks, surface treatment, molding etc. Furthermore, a nano-lens array (NLA) with a sufficiently small lens diameter (<1 μm) is necessary to avoid image quality degradation in high resolution displays. In this study, an organic NLA made using a conventional deposition technique - without combining with other techniques - is reported...
December 1, 2016: Nanoscale
Sagar Khavnekar, Sarath Chandra Dantu, Svetlana Sedelnikova, Sylvia Ayora, John Rafferty, Avinash Kale
Holliday junction (HJ) resolving enzyme RecU is involved in DNA repair and recombination. We have determined the crystal structure of inactive mutant (D88N) of RecU from Bacillus subtilis in complex with a 12 base palindromic DNA fragment at a resolution of 3.2 Å. This structure shows the stalk region and the essential N-terminal region (NTR) previously unseen in our DNA unbound structure. The flexible nature of the NTR in solution was confirmed using SAXS. Thermofluor studies performed to assess the stability of RecU in complex with the arms of an HJ indicate that it confers stability...
November 29, 2016: Nucleic Acids Research
Doyoon Kim, Byeongdu Lee, Stavros Thomopoulos, Young-Shin Jun
We revealed that nucleation sites within collagen fibrils determined pathways for calcium phosphate (CaP) nucleation and its transformation, from amorphous species to crystalline plates, during the biomineralization process. Using in situ small-angle X-ray scattering (SAXS), we examined the nucleation and growth of CaP within collagen matrices and elucidated how a nucleation inhibitor, polyaspartic acid (pAsp), governs mineralization kinetics and pathways at multiple length scales. Mineralization without pAsp led initially to spherical aggregates of CaP in the entire extrafibrillar spaces...
2016: Crystal Growth & Design
Thuy Tran, Scheyla D V S Siqueira, Heinz Amenitsch, Thomas Rades, Anette Müllertz
The colloidal structures formed during lipolysis of self-emulsifying drug delivery systems (SEDDS) might affect the solubilisation and possibly the absorption of drugs. The aim of the current study is to elucidate the structures formed during the in vitro lipolysis of four SEDDS containing medium-chain glycerides and caprylocaproyl polyoxyl-8 glycerides (Labrasol), with or without monoacyl phosphatidylcholine (MAPC). In situ synchrotron small-angle X-ray scattering (SAXS) was combined with ex situ cryogenic transmission electron microscopy (cryo-TEM) and dynamic light scattering (DLS) to elucidate the generated structures...
November 23, 2016: European Journal of Pharmaceutical Sciences
Masakazu Fukuda, Atsushi Watanabe, Akira Hayasaka, Masaru Muraoka, Yuji Hori, Tadao Yamazaki, Yoshimi Imaeda, Akiko Koga
In this study, we investigated the concentration range in which self-association starts to form in humanized IgG monoclonal antibody (mAb) solutions. Furthermore, on the basis of the results, we developed a practical method of screening for low-viscosity antibody solutions by using small-angle X-ray scattering (SAXS) measurements utilizing small quantities of samples. With lower-viscosity mAb3, self-association was not detected in the range of 1-80 mg/mL. With higher-viscosity mAb1, on the other hand, self-association was detected in the range of 10-20 mg/mL and was clearly enhanced by a decrease in temperature...
November 24, 2016: European Journal of Pharmaceutics and Biopharmaceutics
Fátima Herranz-Trillo, Minna Groenning, Andreas van Maarschalkerweerd, Romà Tauler, Bente Vestergaard, Pau Bernadó
Formation of amyloids is the hallmark of several neurodegenerative pathologies. Structural investigation of these complex transformation processes poses significant experimental challenges due to the co-existence of multiple species. The additive nature of small-angle X-ray scattering (SAXS) data allows for probing the evolution of these mixtures of oligomeric states, but the decomposition of SAXS data into species-specific spectra and relative concentrations is burdened by ambiguity. We present an objective SAXS data decomposition method by adapting the multivariate curve resolution alternating least squares (MCR-ALS) chemometric method...
November 9, 2016: Structure
Deepak Kumar Yadav, Peter J Lukavsky
Structure determination of RNA-protein complexes is essential for our understanding of the multiple layers of RNA-mediated posttranscriptional regulation of gene expression. Over the past 20years, NMR spectroscopy became a key tool for structural studies of RNA-protein interactions. Here, we review the progress being made in NMR structure determination of large ribonucleoprotein assemblies. We discuss approaches for the design of RNA-protein complexes for NMR structural studies, established and emerging isotope and segmental labeling schemes suitable for large RNPs and how to gain distance restraints from NOEs, PREs and EPR and orientational information from RDCs and SAXS/SANS in such systems...
November 2016: Progress in Nuclear Magnetic Resonance Spectroscopy
Rui P M Mauricio, Cy M Jeffries, Dmitri I Svergun, Janet E Deane
Shigella flexneri is a bacterial pathogen that invades cells of the gastrointestinal tract causing severe dysentery. Shigella mediate intracellular motility and spreading via actin comet tail formation. This process is dependent on the surface-exposed, membrane-embedded virulence factor IcsA, which recruits the host actin regulator N-WASP. Although it is clear that Shigella require N-WASP for this process, the molecular details of this interaction and the mechanism of N-WASP activation remain poorly understood...
November 23, 2016: Journal of Biological Chemistry
Phillip S Rushton, Anna T Olek, Lee Makowski, John Badger, C Nicklaus Steussy, Nicholas C Carpita, Cynthia V Stauffacher
The crystallographic structure of a rice cellulose synthase, OsCesA8, plant conserved region (P-CR), one of two unique domains in the catalytic domain of plant CesAs, was solved to 2.4Å resolution. Two anti-parallel α-helices form a coiled-coil domain linked by a large extended connector loop containing a conserved trio of aromatic residues. The P-CR structure was fit into a molecular envelope for the P-CR domain derived from small-angle X-ray solution scattering data (SAXS). The P-CR structure and molecular envelope, combined with a homology-based chain trace of the CesA8 catalytic core, were modeled into a previously determined CesA8 SAXS molecular envelope to produce a detailed topological model of the CesA8 catalytic domain (CatD)...
November 22, 2016: Plant Physiology
R Srikantharajah, T Schindler, I Landwehr, S Romeis, T Unruh, W Peukert
The functionality of compact nanostructured thin films depends critically on the degree of order and hence on the underlying ordering mechanisms during film formation. For dip coating of rigid nanorods the counteracting mechanisms, evaporation-induced self-assembly (EISA) and shear-induced alignment (SIA) have recently been identified as competing ordering mechanisms. Here, we show how to achieve highly ordered and homogeneous thin films by controlling EISA and SIA in dip coating. Therefore we identify the influences of the process parameters including temperature, initial volume fraction and nanorod aspect ratio on evaporation-induced convective flow and externally applied shear forces and evaluate the resulting films...
November 23, 2016: Nanoscale
Michal Hammel, Yaping Yu, Sarvan Kumar Radhakrishnan, Chirayu Chokshi, Miaw-Sheue Tsai, Yoshihiro Matsumoto, Monica Kuzdovich, Soumya G Remesh, Shujuan Fang, Alan E Tomkinson, Susan P Lees-Miller, John A Tainer
DNA double-strand break (DSB) repair by non-homologous end joining (NHEJ) in human cells is initiated by Ku heterodimer binding to a DSB, followed by recruitment of core NHEJ factors including DNA-dependent protein kinase catalytic subunit (DNA-PKcs), XRCC4-like factor (XLF) and XRCC4 (X4)-DNA ligase IV (L4). In addition, Ku interacts with accessory factors such as Aprataxin and Polynucleotide kinase/phosphatase-Like Factor (APLF), yet how these factors interact to tether, process and ligate DSB ends while allowing regulation and chromatin interactions remains enigmatic...
November 14, 2016: Journal of Biological Chemistry
José Manuel Delgado-López, Federica Bertolotti, Jeppe Lyngsø, Jan Skov Pedersen, Antonio Cervellino, Norberto Masciocchi, Antonietta Guagliardi
Bioinspired in vitro collagen mineralization experiments have been performed in the presence of citrate and the combined role of the two bone organic matrix components in controlling mineral formation was investigated for the first time. Mineralized and non-mineralized collagen fibrils have been in depth characterized by combining small- and wide-angle X-ray scattering (SAXS/WAXS) techniques with atomic force microscopy (AFM) imaging. A synergic effect of collagen and citrate in driving the formation of long-term stable amorphous calcium phosphate (ACP) nanoparticles with platy morphology was found...
November 18, 2016: Acta Biomaterialia
Yura Jang, Hye Jin Chung, Jung Wan Hong, Cheol-Won Yun, Hesson Chung
Paclitaxel is a most widely used anticancer drug with low oral bioavailability, thus it is currently administered via intravenous infusion. DHP107 is a lipid-based paclitaxel formulation that can be administered as an oral solution. In this study, we investigated the mechanism of paclitaxel absorption after oral administration of DHP107 in mice and rats by changing the dosing interval, and evaluated the influence of bile excretion. DHP107 was orally administered to mice at various dosing intervals (2, 4, 8, 12, 24 h) to examine how residual DHP107 affected paclitaxel absorption during subsequent administration...
November 21, 2016: Acta Pharmacologica Sinica
Michael John Sax, Christin Gasch, Vineel Rag Athota, Ruth Freeman, Parisa Rasighaemi, David Elton Westcott, Christopher John Day, Iva Nikolic, Benjamin Elsworth, Ming Wei, Kelly Rogers, Alexander Swarbrick, Vivek Mittal, Normand Pouliot, Albert Sleiman Mellick
It has recently been suggested that the chemokine receptor (CCR5) is required for bone marrow (BM) derived endothelial progenitor cell (EPC) mediated angiogenesis. Here we show that suppression of either cancer cell produced CCL5, or host CCR5 leads to distinctive vascular and tumor growth defects in breast cancer. Surprisingly, CCR5 restoration in the BM alone was not sufficient to rescue the wild type phenotype, suggesting that impaired tumor growth associated with inhibiting CCL5/CCR5 is not due to defects in EPC biology...
November 16, 2016: Oncotarget
Ernest Y Lee, Benjamin M Fulan, Gerard C L Wong, Andrew L Ferguson
There are some ∼1,100 known antimicrobial peptides (AMPs), which permeabilize microbial membranes but have diverse sequences. Here, we develop a support vector machine (SVM)-based classifier to investigate ⍺-helical AMPs and the interrelated nature of their functional commonality and sequence homology. SVM is used to search the undiscovered peptide sequence space and identify Pareto-optimal candidates that simultaneously maximize the distance σ from the SVM hyperplane (thus maximize its "antimicrobialness") and its ⍺-helicity, but minimize mutational distance to known AMPs...
November 14, 2016: Proceedings of the National Academy of Sciences of the United States of America
F A Corsello, P A Bolla, P S Anbinder, M A Serradell, J I Amalvy, P J Peruzzo
Chitosan/cellulose nanocrystals (CH-CN) films were obtained by casting of dispersions, and treated with NaOH for neutralization proposes. The composition of films was varied from 1 to 10wt.% of CN. Changes in the morphology of the systems were correlated with the different properties studied. FTIR revealed the presence of a weak interaction between the polymer matrix and nanofiller, confirmed by a slightly increase in thermal stability. SEM images suggested that incorporating CN amounts higher than 3wt.% generates phase-segregated systems, and SAXS showed that CH avoid the typical organization of CN at concentrations below 5wt...
January 20, 2017: Carbohydrate Polymers
Sangeetha Balasubramanian, Muthukumaran Rajagopalan, Ravi Shankar Bojja, Anna Marie Skalka, Mark D Andrake, Amutha Ramaswamy
Retroviral integrases are reported to form alternate dimer assemblies like the core-core dimer and reaching dimer. The core-core dimer is stabilized predominantly by an extensive interface between two catalytic core domains. The reaching dimer is stabilized by N-terminal domains (NTD) that reach to form intermolecular interfaces with the other subunit's core and C-terminal domains (CTD), as well as CTD-CTD interactions. In this study, molecular dynamics (MD), Brownian dynamics (BD) simulations, and free energy analyses, were performed to elucidate determinants for the stability of the reaching dimer forms of full-length ASV and HIV IN, and to examine the role of the C-tails (the last ~16-18 residues at the C-termini) in their structural dynamics...
November 11, 2016: Journal of Biomolecular Structure & Dynamics
Ulrich Sax, M Lipprandt, R Röhrig
INTRODUCTION: As many medical workflows depend vastly on IT support, great demands are placed on the availability and accuracy of the applications involved. The cases of IT failure through ransomware at the beginning of 2016 are impressive examples of the dependence of clinical processes on IT. Although IT risk management attempts to reduce the risk of IT blackouts, the probability of partial/total data loss, or even worse, data falsification, is not zero. The objective of this paper is to present the state of the art with respect to strategies, processes, and governance to deal with the failure of IT systems...
November 10, 2016: Yearbook of Medical Informatics
Kai Cai, Gaohua Liu, Ronnie O Frederick, Rong Xiao, Gaetano T Montelione, John L Markley
Human mitochondrial NFU1 functions in the maturation of iron-sulfur proteins, and NFU1 deficiency is associated with a fatal mitochondrial disease. We determined three-dimensional structures of the N- and C-terminal domains of human NFU1 by nuclear magnetic resonance spectroscopy and used these structures along with small-angle X-ray scattering (SAXS) data to derive structural models for full-length monomeric apo-NFU1, dimeric apo-NFU1 (an artifact of intermolecular disulfide bond formation), and holo-NFUI (the [4Fe-4S] cluster-containing form of the protein)...
October 28, 2016: Structure
Chris A Brosey, Chris Ho, Winnie Z Long, Sukrit Singh, Kathryn Burnett, Greg L Hura, Jay C Nix, Gregory R Bowman, Tom Ellenberger, John A Tainer
Apoptosis-inducing factor (AIF) is critical for mitochondrial respiratory complex biogenesis and for mediating necroptotic parthanatos; these functions are seemingly regulated by enigmatic allosteric switching driven by NADH charge-transfer complex (CTC) formation. Here, we define molecular pathways linking AIF's active site to allosteric switching regions by characterizing dimer-permissive mutants using small-angle X-ray scattering (SAXS) and crystallography and by probing AIF-CTC communication networks using molecular dynamics simulations...
November 2, 2016: Structure
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