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61.
Robert Creutznacher Eric Schulze Georg Wallmann Prof. Dr. Thomas Peters Dr. Matthias Stein Dr. Alvaro Mallagaray 《Chembiochem : a European journal of chemical biology》2020,21(7):1007-1021
Bile acids have been reported as important cofactors promoting human and murine norovirus (NoV) infections in cell culture. The underlying mechanisms are not resolved. Through the use of chemical shift perturbation (CSP) NMR experiments, we identified a low-affinity bile acid binding site of a human GII.4 NoV strain. Long-timescale MD simulations reveal the formation of a ligand-accessible binding pocket of flexible shape, allowing the formation of stable viral coat protein–bile acid complexes in agreement with experimental CSP data. CSP NMR experiments also show that this mode of bile acid binding has a minor influence on the binding of histo-blood group antigens and vice versa. STD NMR experiments probing the binding of bile acids to virus-like particles of seven different strains suggest that low-affinity bile acid binding is a common feature of human NoV and should therefore be important for understanding the role of bile acids as cofactors in NoV infection. 相似文献
62.
Kazuo Tsubota Stephen C. Pflugfelder Zuguo Liu Christophe Baudouin Hyo Myung Kim Elisabeth M. Messmer Friedrich Kruse Lingyi Liang Jimena Tatiana Carreno-Galeano Maurizio Rolando Norihiko Yokoi Shigeru Kinoshita Reza Dana 《International journal of molecular sciences》2020,21(23)
Over the past decades, the number of patients with dry eye disease (DED) has increased dramatically. The incidence of DED is higher in Asia than in Europe and North America, suggesting the involvement of cultural or racial factors in DED etiology. Although many definitions of DED have been used, discrepancies exist between the various definitions of dry eye disease (DED) used across the globe. This article presents a clinical consensus on the definition of DED, as formulated in four meetings with global DED experts. The proposed new definition is as follows: “Dry eye is a multifactorial disease characterized by a persistently unstable and/or deficient tear film (TF) causing discomfort and/or visual impairment, accompanied by variable degrees of ocular surface epitheliopathy, inflammation and neurosensory abnormalities.” The key criteria for the diagnosis of DED are unstable TF, inflammation, ocular discomfort and visual impairment. This definition also recommends the assessment of ocular surface epitheliopathy and neurosensory abnormalities in each patient with suspected DED. It is easily applicable in clinical practice and should help practitioners diagnose DED consistently. This consensus definition of DED should also help to guide research and clinical trials that, to date, have been hampered by the lack of an established surrogate endpoint. 相似文献
63.
Dr. Raysa Khan Tareque Dr. Storm Hassell-Hart Dr. Tobias Krojer Dr. Anthony Bradley Dr. Srikannathasan Velupillai Dr. Romain Talon Dr. Michael Fairhead Dr. Iain J. Day Kamlesh Bala Dr. Robert Felix Dr. Paul D. Kemmitt Prof. Paul Brennan Prof. Frank von Delft Dr. Laura Díaz Sáez Prof. Kilian Huber Prof. John Spencer 《ChemMedChem》2020,15(24):2513-2520
Combined photochemical arylation, “nuisance effect” (SNAr) reaction sequences have been employed in the design of small arrays for immediate deployment in medium-throughput X-ray protein–ligand structure determination. Reactions were deliberately allowed to run “out of control” in terms of selectivity; for example the ortho-arylation of 2-phenylpyridine gave five products resulting from mono- and bisarylations combined with SNAr processes. As a result, a number of crystallographic hits against NUDT7, a key peroxisomal CoA ester hydrolase, have been identified. 相似文献
64.
为了避免回收单一钕铁硼废料中有价元素带来的操作复杂和资源浪费等问题,本研究采用共沉淀法共沉淀出钕铁硼废料中的有价元素Me(Nd,Pr,Co,Fe),制备可用于生产再生钕铁硼的原料;根据质量守恒和同时平衡原理,采用MATLAB软件建立Me(Nd,Pr,Co,Fe)-OH--NH3热力学模型,绘制lg[Me]-p H曲线模拟共沉淀工艺,并根据模拟结果确立了共沉淀工艺;模拟和实验的结果表明:根据lg[Me]-p H模拟结果可以确立一步共沉淀法的p H:6~10,Fe3+比Fe2+更易于沉淀完全;在上述条件下获得的共沉淀粉末主相均为Nd,Pr,Co,Fe的化合物,且有价元素的百分比含量均大于99.4%;其中,当p H值在8左右时回收率最高,在该条件下金属元素Me(Nd,Pr,Co,Fe)的沉淀效率分别为:98.7%,99.9%,93.6%,99.9%。该结果也表明共沉淀法工艺不仅高效,而且所制备的共沉淀粉末可以满足制备二次钕铁硼的需要。 相似文献
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69.
Dr. Tomasz Ratajczyk Prof. Dr. Gerd Buntkowsky Dr. Torsten Gutmann Dr. Bartłomiej Fedorczyk Dr. Adam Mames Dr. Mariusz Pietrzak Zuzanna Puzio Piotr Grzegorz Szkudlarek 《Chembiochem : a European journal of chemical biology》2021,22(5):855-860
The biorelevant PyFALGEA oligopeptide ligand, which is selective towards the epidermal growth factor receptor (EGFR), has been successfully employed as a substrate in magnetic resonance signal amplification by reversible exchange (SABRE) experiments. It is demonstrated that PyFALGEA and the iridium catalyst IMes form a PyFALGEA:IMes molecular complex. The interaction between PyFALGEA:IMes and H2 results in a ternary SABRE complex. Selective 1D EXSY experiments reveal that this complex is labile, which is an essential condition for successful hyperpolarization by SABRE. Polarization transfer from parahydrogen to PyFALGEA is observed leading to significant enhancement of the 1H NMR signals of PyFALGEA. Different iridium catalysts and peptides are inspected to discuss the influence of their molecular structures on the efficiency of hyperpolarization. It is observed that PyFALGEA oligopeptide hyperpolarization is more efficient when an iridium catalyst with a sterically less demanding NHC ligand system such as IMesBn is employed. Experiments with shorter analogues of PyFALGEA, that is, PyLGEA and PyEA, show that the bulky phenylalanine from the PyFALGEA oligopeptide causes steric hindrance in the SABRE complex, which hampers hyperpolarization with IMes. Finally, a single-scan 1H NMR SABRE experiment of PyFALGEA with IMesBn revealed a unique pattern of NMR lines in the hydride region, which can be treated as a fingerprint of this important oligopeptide. 相似文献
70.
Mechanical durability of extruded fish feed must be optimized to lower economic losses as well as emission of organic matter to aquatic environments. The glass transition hypothesis for viscoelastic biopolymers is demonstrated and confirmed experimentally to be valid for extruded fish feed pellets. It is proposed and demonstrated that it is important to avoid early glass transition onset, to optimize the obtained mechanical durability. From the proposed glass transition hypothesis, immediate process relevance to the pre-drying transport mechanism is demonstrated. Furthermore, measured mechanical durability is found to range from 1.5 to 5.0% loss, for different combinations of drying parameters. 相似文献