Structural Analysis
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Lorenzo Soini ◽  
Seppe Leysen ◽  
Tom Crabbe ◽  
Jeremy Davis ◽  
Christian Ottmann

14-3-3 proteins regulate many intracellular processes and their ability to bind in subtly different fashions to their numerous partner proteins provides attractive drug-targeting points for a range of diseases. Schnurri-3 is a suppressor of mouse bone formation and a candidate target for novel osteoporosis therapeutics, and thus it is of interest to determine whether it interacts with 14-3-3. In this work, potential 14-3-3 interaction sites on mammalian Schnurri-3 were identified by an in silico analysis of its protein sequence. Using fluorescence polarization, isothermal titration calorimetry and X-ray crystallography, it is shown that synthetic peptides containing either phosphorylated Thr869 or Ser542 can indeed interact with 14-3-3, with the latter capable of forming an interprotein disulfide bond with 14-3-3σ: a hitherto unreported phenomenon.

ACS Nano ◽  
2021 ◽  
Drew A. Vecchio ◽  
Samuel H. Mahler ◽  
Mark D. Hammig ◽  
Nicholas A. Kotov

2021 ◽  
Devanshi Khare ◽  
Pallavi Chandwadkar ◽  
Celin Acharya

Uranium tolerant soil bacterium Chryseobacterium sp. strain PMSZPI moved over solid agar surfaces by gliding motility thereby forming spreading colonies which is a hallmark of members of Bacteroidetes phylum. PMSZPI genome harbored orthologs of all the gld and spr genes considered as core bacteroidetes gliding motility genes of which gldK, gldL, gldM, and gldN were co-transcribed. Here, we present the intriguing interplay between gliding motility and cellular organization in PMSZPI spreading colonies. While nutrient deficiency enhanced colony spreading, high agar concentrations and presence of motility inhibitor like 5-hydroxyindole reduced the spreading. A detailed in situ structural analysis of spreading colonies revealed closely packed cells forming multiple layers at center of colony while the edges showed clusters of cells periodically arranged in hexagonal lattices interconnected with each other. The cell migration within the colony was visualized as branched structures wherein the cells were buried within extracellular matrix giving rise to fern like patterns. PMSZPI colonies exhibited strong iridescence that showed correlation with gliding motility. Presence of uranium reduced motility and iridescence and induced biofilm formation. This is a first report of gliding motility and iridescence in a bacterium from uranium enriched environment that could be of significant interest from an ecological perspective.

Molecules ◽  
2021 ◽  
Vol 26 (15) ◽  
pp. 4494
Xinhai Zhang ◽  
Qiuling Chen ◽  
Shouhua Zhang

In this study, for the first time, diamagnetic 5d0 Ta5+ ions and Ta2O5 nanocrystals were utilized to enhance the structural, mechanical, magnetic, and radiation shielding of heavy metal oxide glasses. Transparent Ta2O5 nanocrystal-doped heavy metal oxide glasses were obtained, and the embedded Ta2O5 nanocrystals had sizes ranging from 20 to 30 nm. The structural analysis of the Ta2O5 nanocrystal displays the transformation from hexagonal to orthorhombic Ta2O5. Structures of doped glasses were studied through X-ray diffraction and infrared and Raman spectra, which reveal that Ta2O5 exists in highly doped glass as TaO6 octahedral units, acting as a network modifier. Ta5+ ions strengthened the network connectivity of 1–5% Ta2O5-doped glasses, but Ta5+ acted as a network modifier in a 10% doped sample and changed the frame coordination units of the glass. All Ta2O5-doped glasses exhibited improved Vicker’s hardness, magnetization (9.53 × 10−6 emu/mol), and radiation shielding behaviors (RPE% = 96–98.8%, MAC = 32.012 cm2/g, MFP = 5.02 cm, HVL = 0.0035–3.322 cm, and Zeff = 30.5) due to the increase in density and polarizability of the Ta2O5 nanocrystals.

Debanshu Roy ◽  
Rathindranath Maiti ◽  
Prasanta K Das ◽  
Piotr Antoniak ◽  
Jaroslaw Stryczek

Chambers in the Gerotor pump units are separated by metal-to-metal geometrically form-closed higher pair active contacts in the lobes of star and ring components. With rotation when the chamber volumes expand and contract, the active contacts move on lobe profiles and are subjected to deformations due to contact stress caused by fluid pressure and transmitted torque. Evidently at two transition active contacts, which separate the high-pressure chambers from the low-pressure chambers, gaps are generated due to contact deformations. However, it is for a short period of time during operation and mostly not at the same time in the two transition contacts. From our experimental visual investigation by photoimaging technique on flow processes, we have visualized that at some angular positions of the star–ring, cavitation occurs inside the chamber. In an earlier work, in the estimation of gaps in transition contacts, we have first evaluated the stresses, deformations at all ideally form-closed active contacts in our chosen Gerotor pump using static structural analysis in the Ansys® environment. In the present work, to investigate the flow characteristics, including the formation of cavitations in the Gerotor pump, numerical analysis using the computational fluid dynamics tool in the Ansys® environment has been carried out. We analyze the flow process for the different angular positions of a star. Results obtained by the numerical analysis have good agreement with the flow patterns visualized experimentally.

2021 ◽  
Vol 13 (15) ◽  
pp. 8316
Camelia Mirela Baba ◽  
Constantin Duguleană ◽  
Marius Sorin Dincă ◽  
Liliana Duguleană ◽  
Gheorghița Dincă

The Covid-19 induced economic crisis has significantly affected almost all businesses from nearly every sector, causing severe financial problems, lack of cash assets, and decrease of revenues. In this context, the economic entities were forced to look for adjustment and rescue solutions of their activities. One possible solution for the recovery and reorganization of economic entities’ activities is demerger. This paper evaluates the impact of demerger upon the sustainable development of economic entities in terms of economic efficiency and financial performances. To achieve this goal, a statistical analysis of profitability ratios before and after the demerger, as well as a structural analysis of 268 demerger projects for the April 2012–April 2021 period, were performed. The results attest there are no significant differences between the ex-ante and ex-post financial performances. However, demerger seems to have a positive effect upon analyzed companies helping them to overcome economic hardships, rethink their business strategies, and continue their activity in the medium and long-term time horizon.

2021 ◽  
Mehr Ali Mahmood Janlou ◽  
Hassan sahebjamee ◽  
Shademan Shokravi

Abstract The emergence of some mutations in the SARS-CoV-2 receptor binding domain (RBD) can increase the spread and pathogenicity due to the conformational changes and increase the stability of Spike protein. Due to the formation of different strains of SARS-CoV-2 by mutations, and their catastrophic effect on public health, the study of the effect of mutations by scientists and researchers around the world is inevitable. According to available evidence, the S494P variant is observed in several SARS-CoV-2 strains from Michigan, USA. To investigate how the S494P natural mutation alters receptor binding affinity in RBD, we performed structural analysis of wild-type and mutant spike proteins using some bioinformatics and computational tools. The results show that S494P mutation increases the spike protein stability. Also, applying docking by HADDOCK displayed higher binding affinity to hACE2 for mutant spike than wild type possibly due to the increased β-strand and Turn secondary structures which increases surface accessibly surface area (SASA) and chance of interaction. The analysis of S494P as a critical RBD mutation may provide the continuing surveillance of spike mutations to aid in the development of COVID-19 drugs and vaccines.

Gustavo Martinez ◽  
Sharmilee Sarkar ◽  
Aditya Kumar ◽  
Ernesto Perez-Rueda ◽  
Scheila Silva

The transcription machinery of archaea can be roughly classified as a simplified version of eukaryotic organisms. The basal transcription factor machinery binds to the TATA-box found around 28 nucleotides upstream of the transcription start site; however, some transcription units lack a clear TATA-box and still have TBP/TFB binding over them. This apparent absence of conserved sequences could be a consequence of sequence divergence associated with the upstream region, operonic and gene organization. Furthermore, earlier studies have found that a structural analysis gains more information compared to a simple sequence inspection. In this work, we evaluated and coded 3630 archaeal promoter sequences of three organisms, Haloferax volcanii, Thermococcus kodakarensis, and Sulfolobus solfataricus into DNA duplex stability, enthalpy, curvature, and bendability parameters. We also split our dataset into conserved TATA and degenerated TATA promoters in order to identify differences among these two classes of promoters. The structural analysis reveals variations in archaeal promoters’ architecture, i.e., a distinctive signal is observed in the TFB, TBP, and TFE binding sites independently of these being TATA-conserved or TATA-degenerated. In addition, the promoter encountering method was validated with upstream regions of 13 other archaea, suggesting that there might be promoter sequences among them. Therefore, we suggest a novel method for locating promoters within the genome of archaea based on energetic/structural features.

2021 ◽  
Vol 11 (15) ◽  
pp. 6725
Heonseok Lee ◽  
Myunghwan Oh ◽  
Junwon Seo ◽  
Woosuk Kim

Glass façade curtain walls in buildings is the façade system of choice in modern architecture of mid- to high-rise buildings. This study investigates the seismic and thermal insulation performance of curtain wall systems through structural analysis using the finite element method (FEM) and LBNL Window&Therm insulation analysis. The aim was to optimize the capability of the curtain wall module system and the fastener element technology to respond to displacement and vibration caused by dynamic seismic waves. Using the structural analysis of the optimization process, a curtain wall system capable of withstanding earthquake waves of 0.4 Hz, displacement of ±150 mm or more, and capable of responding to three-axis (X, Y, and Z-axis) dynamic earthquakes, was fabricated. Then, a curtain wall system that satisfies not only the evaluation of seismic performance, but also the desired airtightness, watertightness, wind pressure, and insulation, which are essential requirements for field applications, was verified through an experiment. Based on this study, it is expected that a curtain wall system capable of responding to three-axis dynamic seismic waves can be applied to mid- and high-rise buildings to prevent secondary damage in the event of an earthquake.

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