Abstract:
:Small oligomers formed early along human islet amyloid polypeptide (hIAPP) aggregation is responsible for the cell death in Type II diabetes. The epigallocatechin gallate (EGCG), a green tea extract, was found to inhibit hIAPP fibrillation. However, the inhibition mechanism and the conformational distribution of the smallest hIAPP oligomer - dimer are mostly unknown. Herein, we performed extensive replica exchange molecular dynamic simulations on hIAPP dimer with and without EGCG molecules. Extended hIAPP dimer conformations, with a collision cross section value similar to that observed by ion mobility-mass spectrometry, were observed in our simulations. Notably, these dimers adopt a three-stranded antiparallel β-sheet and contain the previously reported β-hairpin amyloidogenic precursor. We find that EGCG binding strongly blocks both the inter-peptide hydrophobic and aromatic-stacking interactions responsible for inter-peptide β-sheet formation and intra-peptide interaction crucial for β-hairpin formation, thus abolishes the three-stranded β-sheet structures and leads to the formation of coil-rich conformations. Hydrophobic, aromatic-stacking, cation-π and hydrogen-bonding interactions jointly contribute to the EGCG-induced conformational shift. This study provides, on atomic level, the conformational ensemble of hIAPP dimer and the molecular mechanism by which EGCG inhibits hIAPP aggregation.
journal_name
Sci Repjournal_title
Scientific reportsauthors
Mo Y,Lei J,Sun Y,Zhang Q,Wei Gdoi
10.1038/srep33076subject
Has Abstractpub_date
2016-09-13 00:00:00pages
33076issn
2045-2322pii
srep33076journal_volume
6pub_type
杂志文章abstract::Human corneal endothelial cells (HCECs) easily become fibroblastic-like when cultured, rendering them unsuitable for tissue engineering of the cornea. Transforming growth factor β (TGF-β) could be a key factor in this phenomenon; however, TGF-β is also known to maintain the endothelium in a quiescent state in vivo. Th...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-018-22821-9
更新日期:2018-03-13 00:00:00
abstract::Modes attenuation of the tube lattice fiber (TLF) is characterized by D/λ, where D is the core diameter and λ is the wavelength. Hence, the TLF is structured with a large core to ensure a low attenuation loss. A small core, on the other hand, facilitates the gas-filled TLF applications, but at the expense of the incre...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-017-01839-5
更新日期:2017-05-09 00:00:00
abstract::This study shows that DKK-1, a member of the Dickkopf family and a regulator of the Wnt pathways, represents a novel target of statins which, through the inhibition of HMG-CoA reductase and of non-steroidal isoprenoid intermediates, exert extra-beneficial effect in preventing atherosclerosis beyond their effect on the...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-018-35119-7
更新日期:2018-11-12 00:00:00
abstract::Histamine is an important neurotransmitter that contributes to various processes, including the sleep-wake cycle, learning, memory, and stress responses. Its actions are mediated through histamine H1-H4 receptors. Gene knockout and pharmacological studies have revealed the importance of H1 receptors in learning and me...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-019-52623-6
更新日期:2019-11-11 00:00:00
abstract::Parasites may severely impact the fitness and life-history of their hosts. After infection, surviving individuals may suppress the growth of the parasite, or completely clear the infection and develop immunity. Consequently, parasite prevalence is predicted to decline with age. Among elderly individuals, immunosenesce...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep29720
更新日期:2016-07-19 00:00:00
abstract::The use of impedance-based label free cell analysis is increasingly popular and has many different applications. Here, we report that a real-time cell analyzer (RTCA) can be used to study the stimulation of Natural Killer (NK) cells. Engagement of NK cells via plate-bound antibodies directed against different activati...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-018-23368-5
更新日期:2018-03-21 00:00:00
abstract::The immune checkpoint based therapy targeting the programmed death-1 (PD-1) receptor and its PD-L1 ligand has recently been approved for the therapy of different malignant conditions, but not yet for gastroenteropancreatic neuroendocrine tumors (GEP-NETs). In this context, we evaluated the expression of PD-1 and PD-L1...
journal_title:Scientific reports
pub_type: 临床试验,杂志文章,多中心研究
doi:10.1038/s41598-018-36129-1
更新日期:2018-12-13 00:00:00
abstract::Previous results regarding the associations between esophageal squamous-cell carcinoma (ESCC) risk and smoking/alcohol drinking in high-risk areas are inconsistent. We performed a large population-based case-control study from 2010 to 2013 in a high-incidence area of China, and enrolled 1353 ESCC cases and 1961 contro...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-017-17617-2
更新日期:2017-12-08 00:00:00
abstract::Age-specific genetic and antigenic variations of influenza viruses have not been documented in tropical and subtropical regions. We implemented a systematic surveillance program in two tertiary hospitals in Hong Kong Island, to collect 112 A(H1N1)pdm09 and 254 A(H3N2) positive specimens from 2013 to 2014. Of these, 56...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep30260
更新日期:2016-07-25 00:00:00
abstract::Adult stem cells divide to renew the stem cell pool and replenish specialized cells that are lost due to death or usage. However, little is known about the mechanisms regulating how stem cells adjust to a demand for specialized cells. A failure of the stem cells to respond to this demand can have serious consequences,...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-020-60807-8
更新日期:2020-03-03 00:00:00
abstract::Viruses use a strategy of high mutational rates to adapt to environmental and therapeutic pressures, circumventing the deleterious effects of random single-point mutations by coevolved compensatory mutations, which restore protein fold, function or interactions damaged by initial ones. This mechanism has been identifi...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep24957
更新日期:2016-04-22 00:00:00
abstract::There is considerable interest in how early life experiences shape behavioural development. For example, the socialisation of unfamiliar pigs pre-weaning has been suggested to decrease aggression during later life. However, the behavioural mechanisms behind this socialisation effect remain unexplored. We allowed 12 li...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-019-40980-1
更新日期:2019-03-12 00:00:00
abstract::The mammalian AlkB homolog (ALKBH) family of proteins possess a 2-oxoglutarate- and Fe(II)-dependent oxygenase domain. A similar domain in the Escherichia coli AlkB protein catalyzes the oxidative demethylation of 1-methyladenine (1-meA) and 3-methylcytosine (3-meC) in both DNA and RNA. AlkB homolog 3 (ALKBH3) was als...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep42271
更新日期:2017-02-13 00:00:00
abstract::Cerebellar involvement in cognition, as well as in sensorimotor control, is increasingly recognized and is thought to depend on connections with the cerebral cortex. Anatomical investigations in animals and post-mortem humans have established that cerebro-cerebellar connections are contralateral to each other and incl...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-017-13079-8
更新日期:2017-10-09 00:00:00
abstract::For patients with amyotrophic lateral sclerosis (ALS), the primary therapeutic goal is to minimize morbidity. Non-invasive ventilation improves survival. We aim to assess whether Magnetic Resonance Imaging (MRI) of the cervical spinal cord predicts the progression of respiratory disorders in ALS. Brain and spinal MRI ...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-018-19938-2
更新日期:2018-01-29 00:00:00
abstract::Omniphobic surfaces with reentrant microstructures have been investigated for a range of applications, but the evaporation of high- and low-surface-tension liquid droplets placed on such surfaces has not been rigorously studied. In this work, we develop a technique to fabricate omniphobic surfaces on copper substrates...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep17110
更新日期:2015-11-25 00:00:00
abstract::Noise stress is a common environmental pollutant whose adverse effect on offspring performance has been less studied. This study was novel in terms of using "noise" as a prenatal stress compared with physical stress to explore the effect of stress during gestation on HPA axis activation, cognitive performance, and mot...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-017-09799-6
更新日期:2017-09-05 00:00:00
abstract::Cooperative behaviors are common in humans, and they are the fundamental basis of our society. Theoretical and experimental studies have modeled environments where the behaviors of humans, or agents, have been restricted to analyze their social behavior. However, it is important that such studies can be generalized to...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep12481
更新日期:2015-07-28 00:00:00
abstract::Phosphorylation plays important roles in several processes including synaptic plasticity and memory. The critical role of extracellular signal-regulated kinase (ERK) in these processes is well established. ERK is activated in a sustained manner by different stimuli. However, the mechanisms of sustained ERK activation ...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep01103
更新日期:2013-01-01 00:00:00
abstract::We show a hybrid structure consisting of Si film with photonic crystal surface and random triangular gold grooves reflector at the bottom, which is capable of realizing efficient, broad-band, wide-angle optical absorption. It is numerically demonstrated that the enhanced absorption in a broad wavelength range (0.3-9.9...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep12794
更新日期:2015-08-04 00:00:00
abstract::Bisphenol A (BPA), a member of the environmental endocrine disruptors (EDCs), has recently received increased attention because of its effects on brain insulin resistance. Available data have indicated that brain insulin resistance may contribute to neurodegenerative diseases. However, the associated mechanisms that u...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-017-07544-7
更新日期:2017-08-08 00:00:00
abstract::The exploitation of surface plasmon polaritons has been mostly limited to the visible and near infrared range, due to the low frequency limit for coherent plasmon excitation and the reduction of confinement on the metal surface for lower energies. In this work we show that 3D--out of plane--nanostructures can consider...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep16436
更新日期:2015-11-10 00:00:00
abstract::Effective promotion of air filtration applications proposed for fibers requires their real nanoscale diameter, optimized pore structure, and high service strength; however, creating such filter medium has proved to be a tremendous challenge. This study first establishes a strategy to design and fabricate novel poly(m-...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep40550
更新日期:2017-01-11 00:00:00
abstract::Copy number variation (CNV) is a newly discovered form of intra-species genetic polymorphism that is defined as deletions or duplications of genome segments ranging from 1 kbp to several Mbp. CNV accounts for the majority of the genetic variation observed in humans (CNV regions cover more than 10% of the human genome)...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep31340
更新日期:2016-08-11 00:00:00
abstract::CLN3 mutations cause the fatal neurodegenerative disorder, CLN3 Batten disease. The Cln3-/- mouse model displays characteristic features of the human disease including motor deficits. When mice received acidified drinking water (pH 2.5-2.9) instead of normal tap water (pH 8.4) for several generations, the motor skills...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-019-51488-z
更新日期:2019-10-18 00:00:00
abstract::Injection of pure spin current using a nonlocal geometry is a promising method for controlling magnetization in spintronic devices from the viewpoints of increasing freedom in device structure and avoiding problems related to charge current. Here, we report an experimental demonstration of magnetization switching of a...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-019-56082-x
更新日期:2019-12-20 00:00:00
abstract::The presenilin 1 (PSEN1) L271V mutation causes early-onset familial Alzheimer's disease by disrupting the alternative splicing of the PSEN1 gene, producing some transcripts harboring the L271V point mutation and other transcripts lacking exon 8 (PS1(∆exon8)). We previously reported that PS1 L271V increased amyloid bet...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep17042
更新日期:2015-11-26 00:00:00
abstract::We combine matter-wave interferometry and cavity optomechanics to propose a coherent matter-light interface based on mechanical motion at the quantum level. We demonstrate a mechanism that is able to transfer non-classical features imprinted on the state of a matter-wave system to an optomechanical device, transducing...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep03378
更新日期:2013-11-29 00:00:00
abstract::Graphene has shown enormous potential for innovation in various research fields. The current chemical approaches based on exfoliation of graphite via graphite oxide (GO) are potential for large-scale synthesis of graphene but suffer from high cost, great operation difficulties, and serious waste discharge. We report a...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/srep03439
更新日期:2013-12-06 00:00:00
abstract::Temperature-modulated space-charge-limited-current spectroscopy (TMSCLC) is applied to quantitatively evaluate the density of trap states in the band-gap with high energy resolution of semiconducting hybrid lead halide perovskite single crystals. Interestingly multicomponent deep trap states were observed in the pure ...
journal_title:Scientific reports
pub_type: 杂志文章
doi:10.1038/s41598-019-40139-y
更新日期:2019-03-04 00:00:00