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The calcium pump (sarco/endoplasmic reticulum Ca2+-ATPase, SERCA) plays a major role in calcium homeostasis in muscle cells by clearing cytosolic Ca2+ during muscle relaxation. Active Ca2+ transport by SERCA involves the structural transition from a low-Ca2+ affinity E2 state toward a high-Ca2+ affinity E1 state of the pump. This structural transition is accompanied by the countertransport of protons to stabilize the negative charge and maintain the structural integrity of the transport sites and partially compensate for the positive charges of the two Ca2+ ions passing through the membrane. X-ray crystallography studies have suggested that a hydrated pore located at the C-terminal domain of SERCA serves as a conduit for proton countertransport, but the existence and function of this pathway have not yet been fully characterized. We used atomistic simulations to demonstrate that in the protonated E2 state and the absence of initially bound water molecules, the C-terminal pore becomes hydrated in the nanosecond timescale. Hydration of the C-terminal pore is accompanied by the formation of water wires that connect the transport sites with the cytosol. Water wires are known as ubiquitous proton-transport devices in biological systems, thus supporting the notion that the C-terminal domain serves as a conduit for proton release. Additional simulations showed that the release of a single proton from the transport sites induces bending of transmembrane helix M5 and the interaction between residues Arg762 and Ser915. These structural changes create a physical barrier against full hydration of the pore and prevent the formation of hydrogen-bonded water wires once proton transport has occurred through this pore. Together, these findings support the notion that the C-terminal proton release pathway is a functional element of SERCA and also provide a mechanistic model for its operation in the catalytic cycle of the pump. 相似文献
3.
Laura Cuy-Chaparro Michel David Bohrquez Gabriela Arvalo-Pinzn Jeimmy Johana Castaeda-Ramírez Carlos Fernando Surez Laura Pabn Diego Ordez Gina Marcela Gallego-Lpez Carlos Esteban Surez Darwin Andrs Moreno-Prez Manuel Alfonso Patarroyo 《International journal of molecular sciences》2021,22(2)
Apical membrane antigen 1 is a microneme protein which plays an indispensable role during Apicomplexa parasite invasion. The detailed mechanism of AMA-1 molecular interaction with its receptor on bovine erythrocytes has not been completely defined in Babesia bovis. This study was focused on identifying the minimum B. bovis AMA-1-derived regions governing specific and high-affinity binding to its target cells. Different approaches were used for detecting ama-1 locus genetic variability and natural selection signatures. The binding properties of twelve highly conserved 20-residue-long peptides were evaluated using a sensitive and specific binding assay based on radio-iodination. B. bovis AMA-1 ectodomain structure was modelled and refined using molecular modelling software. NetMHCIIpan software was used for calculating B- and T-cell epitopes. The B. bovis ama-1 gene had regions under functional constraint, having the highest negative selective pressure intensity in the Domain I encoding region. Interestingly, B. bovis AMA-1-DI (100YMQKFDIPRNHGSGIYVDLG119 and 120GYESVGSKSYRMPVGKCPVV139) and DII (302CPMHPVRDAIFGKWSGGSCV321)-derived peptides had high specificity interaction with erythrocytes and bound to a chymotrypsin and neuraminidase-treatment sensitive receptor. DI-derived peptides appear to be exposed on the protein’s surface and contain predicted B- and T-cell epitopes. These findings provide data (for the first-time) concerning B. bovis AMA-1 functional subunits which are important for establishing receptor-ligand interactions which could be used in synthetic vaccine development. 相似文献
4.
Shiming Xie Chen Song Zexin Yu Shaowu Liu Frédéric Lapostolle Didier Klein Chunming Deng Min Liu Hanlin Liao 《Journal of the European Ceramic Society》2021,41(1):535-543
Suspension plasma spraying (SPS) as a potential technique to prepare thermal barrier coatings (TBCs) has been attracting more and more attention. However, most reports on SPS were carried out in the atmosphere. Given the unique features of in-flight particles and plasma jets under low pressure, the resulting coatings are expected to be different from those under atmospheric pressure. In this article, yttria-stabilized zirconia (YSZ) thermal barrier coatings were prepared using suspension plasma spraying under different environmental pressures. The results show that as the environmental pressure decreased, the column-like structural coating turned into a vertical crack segmented structure, as well as a dramatic decrease in surface roughness. More nanoparticle agglomerates were formed in the coating under lower environmental pressures. The real porosity of the coating increased with a decrease in environmental pressure. 相似文献
5.
Bouaziz Youssef Royer Eric Bresson Guillaume Dhome Michel 《Multimedia Tools and Applications》2022,81(16):22449-22480
Multimedia Tools and Applications - Changes in appearance present a tremendous problem for the visual localization of an autonomous vehicle in outdoor environments. Data association between the... 相似文献
6.
Tilman Sauter Karl Kratz Samy Madbouly Frank Klein Matthias Heuchel Andreas Lendlein 《大分子材料与工程》2021,306(4):2000730
Isotropic and anisotropic shape-memory polymer foams are prepared by supercritical carbon dioxide foaming from a multiblock copolymer (PDLCL) consisting of poly(ω-pentadecalactone) and poly(ε-caprolactone) segments. Analysis by micro-computed tomography reveals for the anisotropic PDLCL foam cells a high shape anisotropy ratio of R = 1.72 ± 0.62 with a corresponding Young's compression moduli ratio between longitudinal and transversal direction of 4.3. The experimental compression data in the linear elastic range can be well described by the anisotropic open foam model of Gibson and Ashby. A micro-morphological analysis for single pores using scanning electron microscopy images permits the correlation between the macroscopic stress-compression behavior and microscale structural changes. 相似文献
7.
Alexander Haseloer Tamara Lützenburg Joss Pepe Strache Dr. Jörg Neudörfl Prof. Dr. Ines Neundorf Prof. Dr. Axel Klein 《Chembiochem : a European journal of chemical biology》2021,22(4):694-704
Three chiral tridentate N^N^S coordinating pyridine-carbaldehyde (S)-N4-(α-methylbenzyl)thiosemicarbazones (HTSCmB) were synthesised along with lysine-modified derivatives. One of them was selected and covalently conjugated to the cell-penetrating peptide sC18 by solid-phase peptide synthesis. The HTSCmB model ligands, the HTSCLp derivatives and the peptide conjugate rapidly and quantitatively form very stable PtII chlorido complexes [Pt(TSC)Cl] when treated with K2PtCl4 in solution. The Pt(CN) derivatives were obtained from one TSCmB model complex and the peptide conjugate complex through Cl−→CN− exchange. Ligands and complexes were characterised by NMR, IR spectroscopy, HR-ESI-MS and single-crystal XRD. Intriguingly, no decrease in cell viability was observed when testing the biological activity of the lysine-tagged HdpyTSCLp, its sC18 conjugate HdpyTSCL-sC18 or the PtCl and Pt(CN) conjugate complexes in three different cell lines. Thus, given the facile and effective preparation of such Pt-TSC-peptide conjugates, these systems might pave the way for future use in late-stage labelling with Pt radionuclides and application in nuclear medicine. 相似文献
8.
Nicole A. Turner Colin Charles Douglas A. Watkinson Eva C. Enders Geoff Klein Michael D. Rennie 《Journal of Great Lakes research》2021,47(3):614-625
Understanding patterns of fish movement in large lake ecosystems is essential for determining appropriate management actions as differences in movement behaviour can influence life history traits such as growth and survival. Lake Winnipeg in Manitoba, Canada supports the 2nd largest walleye (Sander vitreus) commercial fishery in North America. We used mark-recapture models to determine movement and estimate survival of walleye between basins of Lake Winnipeg in historical and contemporary contexts, comparing a tag-recovery study completed historically during 1974–1977 with a contemporary (2017–2019) acoustic telemetry study. Mark-recapture models revealed comparably low but detectable annual transitions between basins from historical (0.3–1.2%) and contemporary datasets (7–8.5%). Historically, fish > 300 mm more frequently moved in a south to north direction. Contemporary estimates suggest similar length-based directionality in that fish > 350 mm were always more likely to move in a south-north direction. Contemporary annual survival derived from mark-recapture models ranged between 27 and 45% and 64.3% when derived from catch curve analysis, while independently derived annual historical survival estimates ranged between 50 and 69% and 45.5% from catch curve analysis. Using the contemporary dataset, we also observed seasonal variation in movement and survival between basins, with the greatest movement across the lake occurring during the fall. Our results demonstrate a persisting pattern of low but measurable movement, suggesting between basin movement is not unusual for Lake Winnipeg. Further, low walleye survival rates reported here for the two time periods studied, support recent management actions to reduce fishing pressure across the lake. 相似文献
9.
Jing Huang Nairveen Ali Elsie Quansah Shuxia Guo Michel Noutsias Tobias Meyer-Zedler Thomas Bocklitz Jürgen Popp Ute Neugebauer Anuradha Ramoji 《International journal of molecular sciences》2021,22(4)
In recent decades, vibrational spectroscopic methods such as Raman and FT-IR spectroscopy are widely applied to investigate plasma and serum samples. These methods are combined with drop coating deposition techniques to pre-concentrate the biomolecules in the dried droplet to improve the detected vibrational signal. However, most often encountered challenge is the inhomogeneous redistribution of biomolecules due to the coffee-ring effect. In this study, the variation in biomolecule distribution within the dried-sample droplet has been investigated using Raman and FT-IR spectroscopy and fluorescence lifetime imaging method. The plasma-sample from healthy donors were investigated to show the spectral differences between the inner and outer-ring region of the dried-sample droplet. Further, the preferred location of deposition of the most abundant protein albumin in the blood during the drying process of the plasma has been illustrated by using deuterated albumin. Subsequently, two patients with different cardiac-related diseases were investigated exemplarily to illustrate the variation in the pattern of plasma and serum biomolecule distribution during the drying process and its impact on patient-stratification. The study shows that a uniform sampling position of the droplet, both at the inner and the outer ring, is necessary for thorough clinical characterization of the patient’s plasma and serum sample using vibrational spectroscopy. 相似文献
10.
Alfonso Martín-Bernab Josep Tarrag-Celada Valrie Cunin Sylvie Michelland Roldn Corts Johann Poignant Cyril Boyault Walid Rachidi Sandrine Bourgoin-Voillard Marta Cascante Michel Seve 《International journal of molecular sciences》2021,22(7)
Growing evidence is showing that acetylation plays an essential role in cancer, but studies on the impact of KDAC inhibition (KDACi) on the metabolic profile are still in their infancy. Here, we analyzed, by using an iTRAQ-based quantitative proteomics approach, the changes in the proteome of KRAS-mutated non-small cell lung cancer (NSCLC) A549 cells in response to trichostatin-A (TSA) and nicotinamide (NAM) under normoxia and hypoxia. Part of this response was further validated by molecular and biochemical analyses and correlated with the proliferation rates, apoptotic cell death, and activation of ROS scavenging mechanisms in opposition to the ROS production. Despite the differences among the KDAC inhibitors, up-regulation of glycolysis, TCA cycle, oxidative phosphorylation and fatty acid synthesis emerged as a common metabolic response underlying KDACi. We also observed that some of the KDACi effects at metabolic levels are enhanced under hypoxia. Furthermore, we used a drug repositioning machine learning approach to list candidate metabolic therapeutic agents for KRAS mutated NSCLC. Together, these results allow us to better understand the metabolic regulations underlying KDACi in NSCLC, taking into account the microenvironment of tumors related to hypoxia, and bring new insights for the future rational design of new therapies. 相似文献