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https://www.readbyqxmd.com/read/28549334/molecular-insight-into-specific-14-3-3-modulators-inhibitors-and-stabilisers-of-protein-protein-interactions-of-14-3-3
#1
Alwin M Hartman, Anna K H Hirsch
The 14-3-3 protein family is implicated in several diseases and biological processes. Several recent reviews have summarised knowledge on certain aspects of 14-3-3 proteins, ranging from a historic overview to the structure, function and regulation. This review focuses on the structures and molecular recognition of the modulators by the 14-3-3 proteins, and small modifications of certain modulators are proposed where cocrystal structures have been reported. Our analysis opens up possibilities for the optimisation of the reported compounds...
April 24, 2017: European Journal of Medicinal Chemistry
https://www.readbyqxmd.com/read/28549288/ecological-effects-of-soil-properties-and-metal-concentrations-on-the-composition-and-diversity-of-microbial-communities-associated-with-land-use-patterns-in-an-electronic-waste-recycling-region
#2
Wencheng Wu, Changxun Dong, Jiahui Wu, Xiaowen Liu, Yingxin Wu, Xianbin Chen, Shixiao Yu
Soil microbes play vital roles in ecosystem functions, and soil microbial communities may be strongly structured by land use patterns associated with electronic waste (e-waste) recycling activities, which can increase the heavy metal concentration in soils. In this study, a suite of soils from five land use types (paddy field, vegetable field, dry field, forest field, and e-waste recycling site) were collected in Longtang Town, Guangdong Province, South China. Soil physicochemical properties and heavy metal concentrations were measured, and the indigenous microbial assemblages were profiled using 16S rRNA high-throughput sequencing and clone library analyses...
May 23, 2017: Science of the Total Environment
https://www.readbyqxmd.com/read/28549184/coiled-coil-interactions-mediate-serine-integrase-directionality
#3
Kushol Gupta, Robert Sharp, Jimmy B Yuan, Huiguang Li, Gregory D Van Duyne
Serine integrases are bacteriophage enzymes that carry out site-specific integration and excision of their viral genomes. The integration reaction is highly directional; recombination between the phage attachment site attP and the host attachment site attB to form the hybrid sites attL and attR is essentially irreversible. In a recent model, extended coiled-coil (CC) domains in the integrase subunits are proposed to interact in a way that favors the attPxattB reaction but inhibits the attLxattR reaction. Here, we show for the Listeria innocua integrase (LI Int) system that the CC domain promotes self-interaction in isolated Int and when Int is bound to attachment sites...
May 26, 2017: Nucleic Acids Research
https://www.readbyqxmd.com/read/28548989/imaging-adult-patients-with-fontan-circulation
#4
Salil Ginde, Benjamin H Goot, Peter C Frommelt
PURPOSE OF REVIEW: Survival after the Fontan procedure for palliation of single ventricle congenital heart disease has improved. However, adults with Fontan circulation are at risk for several complications including heart failure, thromboembolism, and protein-losing enteropathy. This review discusses the role of noninvasive imaging for surveillance and early detection of anatomic and functional abnormalities of the Fontan circulation that can impact the risk for Fontan failure over time...
May 25, 2017: Current Opinion in Cardiology
https://www.readbyqxmd.com/read/28548914/quality-of-paediatric-hospice-care-for-children-with-and-without-multiple-complex-chronic-conditions
#5
Lisa C Lindley, Jessica Keim-Malpass
BACKGROUND: Hospice care for children with multiple complex chronic conditions (MCCC) is complicated given their unique health at the end of life (EOL). Little is known about the quality of the hospice care MCCC children receive and how that might differ from children without MCCC. OBJECTIVE: To compare the quality of hospice care (i.e., structures, processes, outcomes) between children with and without MCCC. METHODS: This retrospective, comparative study used data from the National Home and Hospice Care Survey, which included a nationally representative sample of paediatric hospice patients...
May 2, 2017: International Journal of Palliative Nursing
https://www.readbyqxmd.com/read/28548847/simulating-the-electronic-circular-dichroism-spectra-of-photo-reversible-peptide-conformations
#6
Hugo Gattuso, Cristina García-Iriepa, Diego Sampedro, Antonio Monari, Marco Marazzi
Electronic circular dichroism (CD) spectroscopy of peptides is one of the most important experimental char-acterization tools to get insights regarding their structure. Nevertheless, even though highly useful, the reliable simulations of CD spectra result in a complex task. Here, we propose a combination of quantum mechanics/molecular mechanics (QM/MM) methods with a semi-empirical Hamiltonian based on the Frankel excitons theory to efficiently describe the behavior of a 27-amino acid α-helical peptide in water...
May 26, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28548839/structural-distortions-and-charge-density-waves-in-iodine-chains-encapsulated-inside-carbon-nanotubes
#7
Hannu-Pekka Komsa, Ryosuke Senga, Kazutomo Suenaga, Arkady V Krasheninnikov
Atomic chains are perfect systems for getting fundamental insights into the electron dynamics and coupling between the electronic and ionic degrees of freedom in one dimensional metals. Depending on the band filling, they can exhibit Peierls instabilities (or charge density waves), where equally spaced chain of atoms with partially filled band is inherently unstable, exhibiting spontaneous distortion of the lattice that further leads to metal-insulator transition in the system. Here, using high-resolution scanning transmission electron microscopy, we directly image the atomic structures of a chain of iodine atoms confined inside carbon nanotubes...
May 26, 2017: Nano Letters
https://www.readbyqxmd.com/read/28548827/dynamic-disorder-and-electronic-structures-of-electron-precise-dianionic-diboranes-insights-from-solid-state-multinuclear-magnetic-resonance-spectroscopy
#8
Y T Angel Wong, Johannes Landmann, Maik Finze, David L Bryce
The J(11B, 11B) coupling constants of various salts of the electron-precise hexacyanodiborane(6) dianion, [B2(CN)6]2-, were obtained using 11B double-quantum filtered (DQF) J-resolved solid-state nuclear magnetic resonance (SSNMR) spectroscopy. Our results show that the magnitude of the DQF J splitting is influenced by both the crystallo-graphic symmetry of the system and the presence of dynamics. The splittings are amplified by a factor of 3 as compared to the corresponding theoretical J coupling constants for cases where 1) there is an absence of dynamics but the boron pairs are crystallographically equivalent, or 2) the boron pairs are crystallographically inequivalent but are rendered magnetically equivalent on the timescale of the experiment due to dynamic disorder, which was identified by 11B and 13C SSNMR experiments...
May 26, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28548666/zinc-and-the-iron-donor-frataxin-regulate-oligomerization-of-the-scaffold-protein-to-form-new-fe-s-cluster-assembly-centers
#9
B K Galeano, W Ranatunga, O Gakh, D Y Smith, J R Thompson, G Isaya
Early studies of the bacterial Fe-S cluster assembly system provided structural details for how the scaffold protein and the cysteine desulfurase interact. This work and additional work on the yeast and human systems elucidated a conserved mechanism for sulfur donation but did not provide any conclusive insights into the mechanism for iron delivery from the iron donor, frataxin, to the scaffold. We previously showed that oligomerization is a mechanism by which yeast frataxin (Yfh1) can promote assembly of the core machinery for Fe-S cluster synthesis both in vitro and in cells, in such a manner that the scaffold protein, Isu1, can bind to Yfh1 independent of the presence of the cysteine desulfurase, Nfs1...
May 26, 2017: Metallomics: Integrated Biometal Science
https://www.readbyqxmd.com/read/28548503/modeling-evaporation-and-particle-assembly-in-colloidal-droplets
#10
Mingfei Zhao, Xin Yong
Evaporation-induced assembly of nanoparticles in a drying droplet is of great importance in many engineering applications, including printing, coating and thin film processing. The investigation of particle dynamics in evaporating droplets can provide fundamental hydrodynamic insight for revealing the processing-structure relationship in the particle self-organization induced by solvent evaporation. We develop a free-energy-based multiphase lattice Boltzmann method coupled with Brownian dynamics to simulate evaporating colloidal droplets on solid substrates with specified wetting properties...
May 26, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28548369/invadosomes-are-coming-new-insights-into-function-and-disease-relevance
#11
REVIEW
Elyse K Paterson, Sara A Courtneidge
Invadopodia and podosomes are discrete, actin-based molecular protrusions that form in cancer cells and normal cells respectively in response to diverse signaling pathways and extracellular matrix cues. Although they participate in a host of different cellular processes, they share a common functional theme of controlling pericellular proteolytic activity, which sets them apart from other structures that function in migration and adhesion, including focal adhesions, lamellipodia, and filopodia. In this review, we highlight research that explores the function of these complex structures, including roles for podosomes in embryonic and postnatal development, in angiogenesis and remodeling of the vasculature, in maturation of the post-synaptic membrane, in antigen sampling and recognition, and in cell-cell fusion mechanisms, as well as the involvement of invadopodia at multiple steps of the metastatic cascade, and how all of this may apply in the treatment of human disease states...
May 26, 2017: FEBS Journal
https://www.readbyqxmd.com/read/28548167/light-induced-antibiotic-release-from-a-coumarin-caged-compound-on-the-ultrafast-timescale
#12
L-M Herzig, I Elamri, H Schwalbe, J Wachtveitl
A synthesis route for puromycin caged with the photo-responsive 7-diethylaminocoumarinyl protecting group carbamate was developed. The inactivation and recovery of the cytotoxic effect of puromycin was tested with a XTT cell viability assay. The uncaging mechanism was studied by ultrafast transient absorption spectroscopy and by time-correlated single photon counting. The combination of these results with quantum-chemical calculations provided detailed insights in dynamics upon excitation. Interestingly, a change of the dipole moment due to structural rearrangements of the amino moiety led to an intermolecular charge transfer on the picosecond time-scale...
May 26, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28547786/the-geography-of-spatial-synchrony
#13
Jonathan A Walter, Lawrence W Sheppard, Thomas L Anderson, Jude H Kastens, Ottar N Bjørnstad, Andrew M Liebhold, Daniel C Reuman
Spatial synchrony, defined as correlated temporal fluctuations among populations, is a fundamental feature of population dynamics, but many aspects of synchrony remain poorly understood. Few studies have examined detailed geographical patterns of synchrony; instead most focus on how synchrony declines with increasing linear distance between locations, making the simplifying assumption that distance decay is isotropic. By synthesising and extending prior work, we show how geography of synchrony, a term which we use to refer to detailed spatial variation in patterns of synchrony, can be leveraged to understand ecological processes including identification of drivers of synchrony, a long-standing challenge...
May 26, 2017: Ecology Letters
https://www.readbyqxmd.com/read/28547213/evolutionary-dynamics-in-the-two-locus-two-allele-model-with-weak-selection
#14
Martin Pontz, Josef Hofbauer, Reinhard Bürger
Two-locus two-allele models are among the most studied models in population genetics. The reason is that they are the simplest models to explore the role of epistasis for a variety of important evolutionary problems, including the maintenance of polymorphism and the evolution of genetic incompatibilities. Many specific types of models have been explored. However, due to the mathematical complexity arising from the fact that epistasis generates linkage disequilibrium, few general insights have emerged. Here, we study a simpler problem by assuming that linkage disequilibrium can be ignored...
May 25, 2017: Journal of Mathematical Biology
https://www.readbyqxmd.com/read/28547116/groove-binding-of-vanillin-and-ethyl-vanillin-to-calf-thymus-dna
#15
Kaixin Xia, Guowen Zhang, Song Li, Deming Gong
Vanillin (VAN) and ethyl vanillin (EVA) are widely used food additives as flavor enhancers, but may have a potential security risk. In this study, the properties of binding of VAN or EVA with calf thymus DNA (ctDNA) were characterized by multi-spectroscopic methods, multivariate curve resolution-alternating least-squares (MCR-ALS) algorithm and molecular simulation. The concentration profiles for the components (VAN or EVA, ctDNA and VAN-ctDNA or EVA-ctDNA complex) by the MCR-ALS analysis showed that VAN or EVA interacted with ctDNA and formed VAN-ctDNA or EVA-ctDNA complex...
May 25, 2017: Journal of Fluorescence
https://www.readbyqxmd.com/read/28546999/a-birth-of-bipartite-exon-by-intragenic-deletion
#16
Kandai Nozu, Kazumoto Iijima, Toru Igarashi, Shiro Yamada, Jana Kralovicova, Yoshimi Nozu, Tomohiko Yamamura, Shogo Minamikawa, Ichiro Morioka, Takeshi Ninchoji, Hiroshi Kaito, Koichi Nakanishi, Igor Vorechovsky
BACKGROUND: Disease-causing mutations that activate transposon-derived exons without creating a new splice-site consensus have been reported rarely, but they provided unique insights into our understanding of structural motifs required for inclusion of intronic sequences in mature transcripts. METHODS: We employ a combination of experimental and computational techniques to characterize the first de novo bipartite exon activation in genetic disease. RESULTS: The exon originated from two separate introns as a result of an in-frame COL4A5 deletion associated with a typical Alport syndrome...
May 2017: Molecular Genetics & Genomic Medicine
https://www.readbyqxmd.com/read/28546842/opportunities-and-challenges-for-the-sustainable-production-of-structurally-complex-diterpenoids-in-recombinant-microbial-systems
#17
REVIEW
Katarina Kemper, Max Hirte, Markus Reinbold, Monika Fuchs, Thomas Brück
With over 50.000 identified compounds terpenes are the largest and most structurally diverse group of natural products. They are ubiquitous in bacteria, plants, animals and fungi, conducting several biological functions such as cell wall components or defense mechanisms. Industrial applications entail among others pharmaceuticals, food additives, vitamins, fragrances, fuels and fuel additives. Central building blocks of all terpenes are the isoprenoid compounds isopentenyl diphosphate and dimethylallyl diphosphate...
2017: Beilstein Journal of Organic Chemistry
https://www.readbyqxmd.com/read/28546313/enlargement-of-ribbons-in-zebrafish-hair-cells-increases-calcium-currents-but-disrupts-afferent-spontaneous-activity-and-timing-of-stimulus-onset
#18
Lavinia Sheets, Xinyi J He, Jennifer Olt, Mary Schreck, Ronald S Petralia, Ya-Xian Wang, Qiuxiang Zhang, Alisha Beirl, Teresa Nicolson, Walter Marcotti, Josef G Trapani, Katie S Kindt
In sensory hair cells of auditory and vestibular organs, the ribbon synapse is required for the precise encoding of a wide range of complex stimuli. Hair cells have a unique presynaptic structure-the synaptic ribbon-that organizes both synaptic vesicles and calcium channels at the active zone. Previous work has shown that hair-cell ribbon size is correlated with differences in postsynaptic activity. However, additional variability in postsynapse size presents a challenge to determining the specific role of ribbon size in sensory encoding...
May 25, 2017: Journal of Neuroscience: the Official Journal of the Society for Neuroscience
https://www.readbyqxmd.com/read/28546307/the-right-lateral-cerebellum-represents-linguistic-predictability
#19
Elise Lesage, Peter C Hansen, R Chris Miall
Mounting evidence indicates that posterolateral portions of the cerebellum (right Crus I/II) contribute to language processing, but the nature of this role remains unclear. Based on a well-supported theory of cerebellar motor function, which ascribes to the cerebellum a role in short-term prediction through internal modeling, we hypothesize that right cerebellar Crus I/II supports prediction of upcoming sentence content.We tested this hypothesis using event-related fMRI in human subjects by manipulating the predictability of written sentences...
May 25, 2017: Journal of Neuroscience: the Official Journal of the Society for Neuroscience
https://www.readbyqxmd.com/read/28546141/clinical-insight-into-latent-variables-of-psychiatric-questionnaires-for-mood-symptom-self-assessment
#20
Athanasios Tsanas, Kate Saunders, Amy Bilderbeck, Niclas Palmius, Guy Goodwin, Maarten De Vos
BACKGROUND: We recently described a new questionnaire to monitor mood called mood zoom (MZ). MZ comprises 6 items assessing mood symptoms on a 7-point Likert scale; we had previously used standard principal component analysis (PCA) to tentatively understand its properties, but the presence of multiple nonzero loadings obstructed the interpretation of its latent variables. OBJECTIVE: The aim of this study was to rigorously investigate the internal properties and latent variables of MZ using an algorithmic approach which may lead to more interpretable results than PCA...
May 25, 2017: JMIR Mental Health
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