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https://www.readbyqxmd.com/read/28351051/insights-into-the-physiopathology-of-inflammatory-macular-edema
#1
Marc D de Smet
Macular edema is one of the most common causes of permanent vision loss in patients with uveitis. The current understanding of water balance and metabolism within the retina has given us better insight into the mechanisms underlying macular edema arising from both acute and chronic inflammation. Uveitic macular edema (UME) occurs when the equilibrium between water influx and efflux is lost, and more importantly when compensatory mechanisms are overwhelmed. While in the acute setting, control of inflammation can reestablish homeostasis, chronic inflammation can lead to alternate pathways to establish a water balance...
2017: Developments in Ophthalmology
https://www.readbyqxmd.com/read/28350838/function-and-failure-of-the-fetal-membrane-modelling-the-mechanics-of-the-chorion-and-amnion
#2
Stefaan W Verbruggen, Michelle L Oyen, Andrew T M Phillips, Niamh C Nowlan
The fetal membrane surrounds the fetus during pregnancy and is a thin tissue composed of two layers, the chorion and the amnion. While rupture of this membrane normally occurs at term, preterm rupture can result in increased risk of fetal mortality and morbidity, as well as danger of infection in the mother. Although structural changes have been observed in the membrane in such cases, the mechanical behaviour of the human fetal membrane in vivo remains poorly understood and is challenging to investigate experimentally...
2017: PloS One
https://www.readbyqxmd.com/read/28350677/insight-into-the-pathophysiologic-mechanisms-behind-cognitive-dysfunction-in-trigonocephaly
#3
Joris J B van der Vlugt, Jacques J M N van der Meulen, Robert R J Coebergh van den Braak, Christl Vermeij-Keers, Edwin G C Horstman, Steven E R Hovius, Frank C Verhulst, André I Wierdsma, Maarten H Lequin, Jolanda M E Okkerse
BACKGROUND: The relationship between trigonocephaly and cognitive problems might be explained by: secondary mechanical factors related to growth restriction of the skull, and primary structural defects caused by a shared mechanism related to brain developmental disorder(s) and skull malformation. However, because the exact pathophysiology remains unknown, we examined the pathophysiologic mechanisms behind cognitive dysfunction in patients with trigonocephaly, with an aim of providing a model for cognitive dysfunction based on routinely available variables...
April 2017: Plastic and Reconstructive Surgery
https://www.readbyqxmd.com/read/28350450/evolution-of-the-spin-magnetic-moments-and-atomic-valence-of-vanadium-in-vcux-vagx-and-vaux-clusters-x-3-14
#4
William H Blades, Arthur C Reber, Shiv N Khanna, Luis Lopez-Sosa, Patrizia Calaminici, Andreas M Koster
The atomic structures, bonding characteristics, spin magnetic moments, and stability of VCux(+), VAgx(+), and VAux(+) (x = 3 - 14) clusters have been examined using density functional theory. Our studies indicate that the effective valence of vanadium is size-dependent and at small sizes some of the valence electrons of vanadium are localized on vanadium while at larger sizes the 3d orbitals of the vanadium participate in metallic bonding eventually quenching the spin magnetic moment. The electronic stability of the clusters may be understood through a split-shell model that partitions the valence electrons in either a delocalized shell or localized on the vanadium atom...
March 28, 2017: Journal of Physical Chemistry. A
https://www.readbyqxmd.com/read/28350448/mechanism-exploration-of-ion-transport-in-nanocomposite-cation-exchange-membranes
#5
Xin Tong, Bopeng Zhang, Yilin Fan, Yongsheng Chen
The origin of property enhancement of nanocomposite ion exchange membranes (IEMs) is far from being fully understood. By combining experimental work and computational modeling analysis, we could determine the influence of nanomaterials on the ion transport properties of nanocomposite cation exchange membranes (CEMs). We synthesized and characterized a series of nanocomposite CEMs by using SPPO as polymer materials and silica nanoparticles (NPs) (unsulfonated or sulfonated) as nanomaterials. We found that with the increase of NP loading, measured CEM permselectivity and swelling degree first increased and then decreased...
March 28, 2017: ACS Applied Materials & Interfaces
https://www.readbyqxmd.com/read/28350436/potential-fluctuations-at-low-temperatures-in-mesoscopic-scale-smtio3-srtio3-smtio3-quantum-well-structures
#6
Will J Hardy, Brandon Isaac, Patrick Marshall, Evgeny Mikheev, Panpan Zhou, Susanne Stemmer, Douglas Natelson
Heterointerfaces of SrTiO3 with other transition metal oxides make up an intriguing family of systems with a bounty of coexisting and competing physical orders. Some examples, such as LaAlO3/SrTiO3, support a high carrier density electron gas at the interface whose electronic properties are determined by a combination of lattice distortions, spin-orbit coupling, defects, and various regimes of magnetic and charge ordering. Here, we study electronic transport in mesoscale devices made with heterostructures of SrTiO3 sandwiched between layers of SmTiO3, in which the transport properties can be tuned from a regime of Fermi-liquid like resistivity (ρ ∝ T(2)) to a non-Fermi liquid (ρ ∝ T(5/3)) by controlling the SrTiO3 thickness...
March 28, 2017: ACS Nano
https://www.readbyqxmd.com/read/28346821/structure-activity-relationships-on-cynnamoyl-derivatives-as-inhibitors-of-p300-histone-acetyltransferase
#7
Valentina Noemi Madia, Rosaria Benedetti, Maria Letizia Barreca, Liza Ngo, Luca Pescatori, Antonella Messore, Giovanni Pupo, Francesco Saccoliti, Sergio Valente, Antonello Mai, Luigi Scipione, Yujun George Zheng, Cristina Tintori, Maurizio Botta, Violetta Cecchetti, Lucia Altucci, Roberto Di Santo, Roberta Costi
Human p300 is a polyhedric transcriptional coactivator, playing a crucial role by acetylating histones on specific lysine residues. A great deal of evidences shows that p300 is involved in several diseases as leukemia, tumors and viral infection. Its involvement in pleiotropic biological roles and connections to diseases provide the rationale as to how its modulation could represent an amenable drug target. Several p300 inhibitors (HATi) have been described so far, but all suffer from low potency, lack of specificity or low cell-permeability, highlighting the need to find more effective inhibitors...
March 27, 2017: ChemMedChem
https://www.readbyqxmd.com/read/28346784/structure-determination-of-mycobacterium-tuberculosis-serine-protease-hip1-rv2224c
#8
Jacqueline Lara Naffin-Olivos, Andrew Daab, Andre White, Nathan Eric Goldfarb, Amy C Milne, Dali Liu, Jacqueline Baikovitz, Ben M Dunn, Jyothi Rengarajan, Gregory A Petsko, Dagmar Ringe
The Mycobacterium tuberculosis (Mtb) serine protease Hip1 (Hydrolase important for pathogenesis; Rv2224c) promotes tuberculosis (TB) pathogenesis by impairing host immune responses through proteolysis of a protein substrate, Mtb GroEL2. The cell surface localization of Hip1 and its immunomodulatory functions make Hip1 a good drug target for new adjunctive immune therapies for TB. Here we report the crystal structure of Hip1 to a resolution of 2.6 Å and the kinetic studies of the enzyme against model substrates and the protein GroEL2...
March 27, 2017: Biochemistry
https://www.readbyqxmd.com/read/28346559/mechanism-of-degradation-of-a-nitrogenous-heterocycle-induced-by-a-reductive-radical-decomposition-of-a-sym-triazine-ring
#9
Gengxin Lyu, Guosheng Shi, Liang Tang, Haiping Fang, Minghong Wu
Cyanuric acid is a major component of many materials and chemicals, and is the most important intermediate in the degradation processes of sym-triazine compounds in the natural environment, as well as being used for water treatment. However, the degradation mechanism of cyanuric acid is still unclear in various advanced oxidation processes (AOPs), where ˙OH is usually regarded as the dominant radical. Here, using a combination of density functional theory calculations and experimental observations, we unexpectedly show that the sym-triazine ring structure is broken efficiently by reductive free radicals - hydrogen radicals (˙H), rather than traditional ˙OH...
March 27, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28346450/structural-modeling-of-protein-rna-complexes-using-crosslinking-of-segmentally-isotope-labeled-rna-and-ms-ms
#10
Georg Dorn, Alexander Leitner, Julien Boudet, Sébastien Campagne, Christine von Schroetter, Ahmed Moursy, Ruedi Aebersold, Frédéric H-T Allain
Ribonucleoproteins (RNPs) are key regulators of cellular function. We established an efficient approach, crosslinking of segmentally isotope-labeled RNA and tandem mass spectrometry (CLIR-MS/MS), to localize protein-RNA interactions simultaneously at amino acid and nucleotide resolution. The approach was tested on polypyrimidine tract binding protein 1 and U1 small nuclear RNP. Our method provides distance restraints to support integrative atomic-scale structural modeling and to gain mechanistic insights into RNP-regulated processes...
March 27, 2017: Nature Methods
https://www.readbyqxmd.com/read/28346407/insights-into-activity-and-inhibition-from-the-crystal-structure-of-human-o-glcnacase
#11
Nathaniel L Elsen, Sangita B Patel, Rachael E Ford, Dawn L Hall, Fred Hess, Hari Kandula, Maria Kornienko, John Reid, Harold Selnick, Jennifer M Shipman, Sujata Sharma, Kevin J Lumb, Stephen M Soisson, Daniel J Klein
O-GlcNAc hydrolase (OGA) catalyzes removal of βα-linked N-acetyl-D-glucosamine from serine and threonine residues. We report crystal structures of Homo sapiens OGA catalytic domain in apo and inhibited states, revealing a flexible dimer that displays three unique conformations and is characterized by subdomain α-helix swapping. These results identify new structural features of the substrate-binding groove adjacent to the catalytic site and open new opportunities for structural, mechanistic and drug discovery activities...
March 27, 2017: Nature Chemical Biology
https://www.readbyqxmd.com/read/28346405/structural-and-functional-insight-into-human-o-glcnacase
#12
Christian Roth, Sherry Chan, Wendy A Offen, Glyn R Hemsworth, Lianne I Willems, Dustin T King, Vimal Varghese, Robert Britton, David J Vocadlo, Gideon J Davies
O-GlcNAc hydrolase (OGA) removes O-linked N-acetylglucosamine (O-GlcNAc) from a myriad of nucleocytoplasmic proteins. Through co-expression and assembly of OGA fragments, we determined the three-dimensional structure of human OGA, revealing an unusual helix-exchanged dimer that lays a structural foundation for an improved understanding of substrate recognition and regulation of OGA. Structures of OGA in complex with a series of inhibitors define a precise blueprint for the design of inhibitors that have clinical value...
March 27, 2017: Nature Chemical Biology
https://www.readbyqxmd.com/read/28345916/molecular-mechanism-of-nucleotide-dependent-allosteric-regulation-in-amp-activated-protein-kinase
#13
Navjeet Ahalawat, Rajesh Kumar Murarka
The AMP-activated protein kinase (AMPK), a central enzyme in the regulation of energy homeostasis, is an important drug target for type 2 diabetes, obesity and cancer. Binding of adenosine nucleotides to the regulatory γ-subunit tightly regulates the activity of this enzyme. Though recent crystal structures of AMPK have provided important insights into the allosteric activation of AMPK, molecular details of the regulatory mechanism of AMPK activation is still elusive. Here, we have performed extensive all-atom molecular dynamics (MD) simulations and shown that the kinase domain (KD) and γ-subunit comes closer resulting in a more compact heterotrimeric AMPK complex in AMP-bound state compared to the ATP-bound state...
March 27, 2017: Journal of Physical Chemistry. B
https://www.readbyqxmd.com/read/28345699/gold-and-iodine-diffusion-in-large-area-perovskite-solar-cells-under-illumination
#14
S Cacovich, L Ciná, F Matteocci, G Divitini, P A Midgley, A Di Carlo, C Ducati
Operational stability is the main issue hindering the commercialisation of perovskite solar cells. Here, a long term light soaking test was performed on large area hybrid halide perovskite solar cells to investigate the morphological and chemical changes associated with the degradation of photovoltaic performance occurring within the devices. Using Scanning Transmission Electron Microscopy (STEM) in conjunction with EDX analysis on device cross sections, we observe the formation of gold clusters in the perovskite active layer as well as in the TiO2 mesoporous layer, and a severe degradation of the perovskite due to iodine migration into the hole transporter...
March 27, 2017: Nanoscale
https://www.readbyqxmd.com/read/28345675/a-myb-transcription-factor-dcmyb6-is-involved-in-regulating-anthocyanin-biosynthesis-in-purple-carrot-taproots
#15
Zhi-Sheng Xu, Kai Feng, Feng Que, Feng Wang, Ai-Sheng Xiong
Carrots are widely grown and enjoyed around the world. Purple carrots accumulate rich anthocyanins in the taproots, while orange, yellow, and red carrots accumulate rich carotenoids in the taproots. Our previous studies indicated that variation in the activity of regulatory genes may be responsible for variations in anthocyanin production among various carrot cultivars. In this study, an R2R3-type MYB gene, designated as DcMYB6, was isolated from a purple carrot cultivar. In a phylogenetic analysis, DcMYB6 was grouped into an anthocyanin biosynthesis-related MYB clade...
March 27, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28345630/identification-and-comparative-analysis-of-the-epidermal-differentiation-complex-in-snakes
#16
Karin Brigit Holthaus, Veronika Mlitz, Bettina Strasser, Erwin Tschachler, Lorenzo Alibardi, Leopold Eckhart
The epidermis of snakes efficiently protects against dehydration and mechanical stress. However, only few proteins of the epidermal barrier to the environment have so far been identified in snakes. Here, we determined the organization of the Epidermal Differentiation Complex (EDC), a cluster of genes encoding protein constituents of cornified epidermal structures, in snakes and compared it to the EDCs of other squamates and non-squamate reptiles. The EDC of snakes displays shared synteny with that of the green anole lizard, including the presence of a cluster of corneous beta-protein (CBP)/beta-keratin genes...
March 27, 2017: Scientific Reports
https://www.readbyqxmd.com/read/28345536/tuning-the-work-function-of-stepped-metal-surfaces-by-adsorption-of-organic-molecules
#17
Yingda Jiang, Jingtai Li, Guirong Su, Nicola Ferri, Wei Liu, Alexandre Tkatchenko
Understanding the binding mechanisms for aromatic molecules on transition-metal surfaces, especially with defects such as vacancies, steps, and kinks, is a major challenge in designing functional interfaces for organic devices. One important parameter in the performance of organic/inorganic devices is the barrier of charge carrier injection. In case of a metallic electrode, tuning the electronic interface potential or the work function for electronic level alignment is crucial. Here, we use density-functional theory (DFT) calculations with van der Waals (vdW) interactions treated with both screened pairwise and many-body dispersion (MBD) methods, to systematically study the interactions of benzene with a variety of stepped surfaces...
March 27, 2017: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://www.readbyqxmd.com/read/28345263/nmr-solution-structure-of-the-red-subdomain-of-the-sleeping-beauty-transposase
#18
Tatiana A Konnova, Christopher M Singer, Irina V Nesmelova
DNA transposons can be employed for stable gene transfer in vertebrates. The Sleeping Beauty (SB) DNA transposon has been recently adapted for human application and is being evaluated in clinical trials, however its molecular mechanism is not clear. SB transposition is catalyzed by the transposase enzyme, which is a multi-domain protein containing the catalytic and the DNA-binding domains. The DNA-binding domain of SB transposase contains two structurally independent subdomains, PAI and RED. Recently, the structures of the catalytic domain and the PAI subdomain have been determined, however no structural information on the RED subdomain and its interactions with DNA has been available...
March 27, 2017: Protein Science: a Publication of the Protein Society
https://www.readbyqxmd.com/read/28345204/insight-into-ion-transfer-through-the-sub-nanometer-channels-in-zeolitic-imidazolate-frameworks
#19
Ze-Yu Jiang, Hai-Ling Liu, Saud Asif Ahmed, Sumaira Hanif, Shi-Bin Ren, Jing-Juan Xu, Hong-Yuan Chen, Xing-Hua Xia, Kang Wang
A crack-free sub-nanometer composite structure for the study of ion transfer was constructed by in situ growth of ZIF-90 [Zn(ICA)2 , ICA=Imidazole-2-carboxaldehyde] on the tip of a glass nanopipette. The potential-driven ion transfer through the sub-nanometer channels in ZIF-90 is strongly influenced by the pH of the solution. A rectification ratio over 500 is observed in 1 m KCl solution under alkaline conditions (pH 11.58), which is the highest value reported under such a high salt concentration. Fluorescence experiments show the super-high rectification ratio under alkaline conditions results from the strong electrostatic interaction between ions and the sub-nanometer channels of ZIF-90...
March 27, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28345036/abundant-off-fault-seismicity-and-orthogonal-structures-in-the-san-jacinto-fault-zone
#20
Zachary E Ross, Egill Hauksson, Yehuda Ben-Zion
The trifurcation area of the San Jacinto fault zone has produced more than 10% of all earthquakes in southern California since 2000, including the June 2016 Mw (moment magnitude) 5.2 Borrego Springs earthquake. In this area, the fault splits into three subparallel strands and is associated with broad VP /VS anomalies. We synthesize spatiotemporal properties of historical background seismicity and aftershocks of the June 2016 event. A template matching technique is used to detect and locate more than 23,000 aftershocks, which illuminate highly complex active fault structures in conjunction with a high-resolution regional catalog...
March 2017: Science Advances
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