Abstract：
:α-synuclein (aS) is a natively unfolded pre-synaptic protein found in all Parkinson's disease patients as the major component of fibrillar plaques. Metal ions, and especially Cu(II), have been demonstrated to accelerate aggregation of aS into fibrillar plaques, the precursors to Lewy bodies. In this work, copper binding to aS is investigated by a combination of quantum and molecular mechanics simulations. Starting from the experimentally observed attachment site, several optimized structures of Cu-binding geometries are examined. The most energetically favorable attachment results in significant allosteric changes, making aS more susceptible to misfolding. Indeed, an inverse kinematics investigation of the configuration space uncovers a dynamically stable β-sheet conformation of Cu-aS that serves as a nucleation point for a second β-strand. Based on these findings, we propose an atomistic mechanism of copper-induced misfolding of aS as an initial event in the formation of Lewy bodies and thus in PD pathogenesis.
journal_name
Sci Repjournal_title
Scientific reportsauthors
Rose F,Hodak M,Bernholc Jdoi
10.1038/srep00011subject
Has Abstractpub_date
2011-01-01 00:00:00pages
11issn
2045-2322journal_volume
1pub_type
杂志文章abstract：:Food constitutes a fuel of life for human beings. It is therefore of chief importance that their recognition system readily identifies the most relevant properties of food by drawing on semantic memory. One of the most relevant properties to be considered is the level of processing impressed by humans on food. We hypo...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-019-43919-8
更新日期：2019-05-15 00:00:00
abstract：:The dominant seagrass in Port Phillip Bay (PPB), Australia, Zostera nigricaulis, declined between 2000 and 2011, coinciding with the 'Millennium drought' that ended in 2009. These seagrasses are nitrogen-limited, underpinning the need to develop nitrogen budgets for better ecosystem management. Environmentally realist...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-018-35549-3
更新日期：2018-11-21 00:00:00
abstract：:One of the potential antibiofilm strategies is to use lytic phages and phage-derived polysaccharide depolymerases. The idea is to uncover bacteria embedded in the biofilm matrix making them accessible and vulnerable to antibacterials and the immune system. Here we present the antibiofilm efficiency of lytic phage KP34...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-020-77198-5
更新日期：2020-11-23 00:00:00
abstract：:Diagnosing stable ischemic heart disease (IHD) is challenging, especially in females. Currently, no blood test is available. Plasma extracellular vesicles (EV) are emerging as potential biomarker source. We therefore aimed to identify stress induced ischemia due to stable IHD with plasma extracellular vesicle protein ...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-020-69297-0
更新日期：2020-07-23 00:00:00
abstract：:The protein encoded by the TERMINAL FLOWER1 (TFL1) gene maintains indeterminacy in inflorescence meristem to repress flowering, and has undergone multiple duplications. However, basal angiosperms have one copy of a TFL1-like gene, which clusters with eudicot TFL1/CEN paralogs. Functional conservation has been reported...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-017-13645-0
更新日期：2017-11-01 00:00:00
abstract：:Despite advances in stem cell research, cell transplantation therapy for liver failure is impeded by a shortage of human primary hepatocytes (HPH), along with current differentiation protocol limitations. Several studies have examined the concept of co-culture of human induced pluripotent cells (hiPSCs) with various t...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-019-45514-3
更新日期：2019-06-20 00:00:00
abstract：:The brain effortlessly recognizes objects even when the visual information belonging to an object is widely separated, as well demonstrated by the Kanizsa-type illusory contours (ICs), in which a contour is perceived despite the fragments of the contour being separated by gaps. Such large-range visual completion has l...
journal_title：Scientific reports
pub_type： 临床试验,杂志文章
doi：10.1038/srep08346
更新日期：2015-02-10 00:00:00
abstract：:One of the most challenging issues in HIV-associated neurocognitive disorders (HAND) caused by HIV-1 virotoxins and drug abuse is the lack of understanding the underlying mechanisms that are commonly associated with disorders of the blood-brain barrier (BBB), which mainly consists of brain microvascular endothelial ce...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep40467
更新日期：2017-01-11 00:00:00
abstract：:The Expanded Susceptibility to Smoking Index (ESSI) is based on the combination of susceptibility to smoking and curiosity about smoking. The ESSI can identify young people who are at risk of starting to smoke cigarettes and related products. The objective of this study was to analyse the ESSI results and to examine f...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-021-81723-5
更新日期：2021-01-21 00:00:00
abstract：:Lipolysis-stimulated lipoprotein receptor (LSR) is a unique molecule of tricellular contacts of normal and cancer cells. We investigated how the loss of LSR induced cell migration, invasion and proliferation in endometrial cancer cell line Sawano. mRNAs of amphiregulin (AREG) and TEA domain family member 1 (TEAD1) wer...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep37049
更新日期：2017-01-10 00:00:00
abstract：:Long non-coding RNAs (lncRNAs) regulate expression of protein-coding genes in cis through chromatin modifications including DNA methylation. Here we interrogated whether lncRNA genes may regulate transcription and methylation of their flanking or overlapping protein-coding genes in livers of mice exposed to a 12-week ...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-018-29993-4
更新日期：2018-08-01 00:00:00
abstract：:We introduce multi-gradients including Laplace pressure gradient, wettable gradient and wettable different gradient on a high adhesion surface via special wedge-pattern and improved anodic oxidation method. As a result of the cooperative effect mentioned above, controlled directional motion of a droplet on a high adhe...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep45687
更新日期：2017-04-03 00:00:00
abstract：:This retrospective cohort study investigated the association between in-hospital survival and two-dimensional (2D) echocardiography within 24 hours after the return of spontaneous circulation (ROSC) in patients who underwent in-hospital cardiopulmonary resuscitation (ICPR) after in-hospital cardiopulmonary arrest (IHC...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-019-56153-z
更新日期：2020-01-08 00:00:00
abstract：:Urinary tract infections (UTIs) are the third most common types of infection in human medicine worldwide. There is increasing appreciation for the pathogenic role of Gram-positive cocci (GPC) in UTIs, as they have a plethora of virulence factors, maintaining their pathogenicity and high affinity for the epithelial cel...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-020-74834-y
更新日期：2020-10-19 00:00:00
abstract：:PAP80-2a, purified from Pholiota adiposa mycelia, is a polysaccharide exhibiting prominent antitumor effects. However, the yield of PAP80-2a was low and its structure has not been characterized, impeding the exploration of its structure-function relationship, thus influencing the development of oral drugs for antitumo...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-018-38251-6
更新日期：2019-02-11 00:00:00
abstract：:To examine patterns of human immunodeficiency virus (HIV) cause-specific deaths, risk factors, and the effect of interactions on mortality, we conducted a retrospective cohort study in Zhejiang, China, from 2006 to 2013. All data were downloaded from the acquired immune deficiency syndrome (AIDS) Prevention and Contro...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep42366
更新日期：2017-02-15 00:00:00
abstract：:The properties of the human mind affect the quality of scientific knowledge through the insertion of unconscious biases during the research process. These biases frequently cause overestimation of the effects under study, thereby violating the reproducibility of the research and potentially leading to incorrect conclu...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-020-80677-4
更新日期：2021-01-08 00:00:00
abstract：:Differential scanning fluorimetry is a popular method to estimate the stability of a protein in distinct buffer conditions by determining its 'melting point'. The method requires a temperature controlled fluorescence spectrometer or a RT-PCR machine. Here, we introduce a low-budget version of a microcontroller based h...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-018-19702-6
更新日期：2018-01-23 00:00:00
abstract：:The opportunistic pathogen Staphylococcus aureus is responsible for causing infections related to indwelling medical devices, where this pathogen is able to attach and form biofilms. The intrinsic properties given by the self-produced extracellular biofilm matrix confer high resistance to antibiotics, triggering infec...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-020-75929-2
更新日期：2020-11-03 00:00:00
abstract：:Liver resection remains the popular treatment for hepatocellular carcinoma (HCC). The aim of this study was to explore the alteration of immune cells in HCC patients with liver resections. Nineteen patients were included and their peripheral blood samples were taken before and after liver resections for immune-cell an...
journal_title：Scientific reports
pub_type： 临床试验,杂志文章
doi：10.1038/s41598-019-38785-3
更新日期：2019-02-19 00:00:00
abstract：:Microalgae identification is extremely difficult. The efficiency of DNA barcoding in microalgae identification involves ideal gene markers and approaches employed, which however, is still under the way. Although Scenedesmus has obtained much research in producing lipids its identification is difficult. Here we present...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep36822
更新日期：2016-11-09 00:00:00
abstract：:Oxalate decarboxylase (OXDC) enzyme has immense biotechnological applications due to its ability to decompose anti-nutrient oxalic acid. Flammulina velutipes, an edible wood rotting fungus responds to oxalic acid by induction of OXDC to maintain steady levels of pH and oxalate anions outside the fungal hyphae. Here, w...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep14578
更新日期：2015-10-12 00:00:00
abstract：:This study aimed to develop and validate a model for the preoperative prediction of the effectiveness of hysteroscopic resection of a uterine cesarean niche in patients with postmenstrual spotting. The predictive model was developed in a primary prospective cohort consisting of 208 patients with niche treated by hyste...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-020-74622-8
更新日期：2020-10-15 00:00:00
abstract：:MiR-204 and miR-211 (miR-204/211) share the same seed site sequence, targeting many of the same genes. Their role in cancer development remains controversial, as both cell proliferative and suppressive effects have been identified. This study aimed to address the relationship between the two structurally similar micro...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep25287
更新日期：2016-04-28 00:00:00
abstract：:Peatland ecosystem services include drinking water provision, flood mitigation, habitat provision and carbon sequestration. Dissolved organic carbon (DOC) removal is a key treatment process for the supply of potable water downstream from peat-dominated catchments. A transition from peat-forming Sphagnum moss to vascul...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep36751
更新日期：2016-11-18 00:00:00
abstract：:Graft contracture is a common problem associated with the regeneration processes of tissue-engineered bladders. Currently, most strategies used for incorporating bioactive molecules into biomaterial designs do not work during all phases of tissue regeneration. In this study, we used a growth factor-PLGA nanoparticle t...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep20784
更新日期：2016-02-08 00:00:00
abstract：:Accurately establishing the state of large-scale quantum systems is an important tool in quantum information science; however, the large number of unknown parameters hinders the rapid characterisation of such states, and reconstruction procedures can become prohibitively time-consuming. Compressive sensing, a procedur...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/srep06542
更新日期：2014-10-13 00:00:00
abstract：:In this work, we propose the concept to use the hydrophilic or neutral surface for condensation heat transfer and to use the superhydrophobic surface for enhancement by self-shedding and sweeping of condensate. Molecular dynamics simulation results show that no matter the vapor condenses on the solid surface in dropwi...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-017-09194-1
更新日期：2017-08-17 00:00:00
abstract：:The oral cavity contains different types of microbial species that colonize human host via extensive cell-to-cell interactions and biofilm formation. Candida albicans-a yeast-like fungus that inhabits mucosal surfaces-is also a significant colonizer of subgingival sites in patients with chronic periodontitis. It is no...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-019-40771-8
更新日期：2019-03-13 00:00:00
abstract：:Exploration of genetic variant-to-gene relationships by quantitative trait loci such as expression QTLs is a frequently used tool in genome-wide association studies. However, the wide range of public QTL databases and the lack of batch annotation features complicate a comprehensive annotation of GWAS results. In this ...
journal_title：Scientific reports
pub_type： 杂志文章
doi：10.1038/s41598-020-75770-7
更新日期：2020-11-24 00:00:00
