Predicting the conformations of the silk protein through deep learning

文献信息

发布日期 2021-03-05
DOI 10.1039/D1AN00290B
影响因子 4.616
作者

Mingrui Jiang, Ting Shu, Chao Ye, Jing Ren, Shengjie Ling


查看原文

摘要

As with other proteins, the conformation of the silk protein is critical for determining the mechanical, optical and biological performance of materials. However, an efficient, accurate and time-efficient method for evaluating the protein conformation from Fourier transform infrared (FTIR) spectra is still desired. A set of convolutional neural network (CNN)-based deep learning models was developed in this study to identify the silk proteins and evaluate their relative content of each conformation from FTIR spectra. Compared with the conventional deconvolution algorithm, our CNN models are highly accurate and time-efficient, showing promise in processing massive FTIR data sets, such as data from FTIR imaging, and in quick analysis feedback, such as on-line and time-resolved FTIR measurements. We compiled an open-source and user-friendly graphical Python program that allows users to analyze their own FTIR data set, which can be from the silk protein or other proteins, for the encouragement and convenience of interested researchers to use the CNN models.

相关文献

Ultrafast proton transfer of the aqueous phenol radical cation

Muhammad Shafiq Bin Mohd Yusof, Hongwei Song, Tushar Debnath, Bethany Lowe, Zhi-Heng Loh

2022-05-10 Paper

DOI: 10.1039/D2CP00505K

sp2-to-sp3 transitions in graphite during cold-compression

Xiaohong Yuan, Yong Cheng, Pei Wang, Fuyang Liu, Songbai Han, Jinlong Zhu, Ming-Sheng Wang, Liping Wang

2022-04-04 Paper

DOI: 10.1039/D2CP00178K

The protein-stabilizing effects of TMAO in aqueous and non-aqueous conditions

Daron M. Standley, Tomoko Matsuda, Mohammad Reza Housaindokht

2022-08-10 Paper

DOI: 10.1039/D2CP01279K

Influence of ionic liquids on the electronic environment of atomically dispersed Ir on (MgO)(100)

Deniz Akgül, Viktorya Aviyente

2022-03-08 Paper

DOI: 10.1039/D2CP00043A

SrFeO3−δ: a novel Fe4+ ↔ Fe2+ redox mediated pseudocapacitive electrode in aqueous electrolyte

Asha Gupta, Vishal Kushwaha, Rakesh Mondal, Abhay Narayan Singh, Rajiv Prakash, K. D. Mandal, Preetam Singh

2022-04-06 Paper

DOI: 10.1039/D1CP04751E

Origins of covalent linkages within the lignin–carbohydrate network of biomass

Seth Beck, Phillip Choi, Samir H. Mushrif

2022-08-12 Paper

DOI: 10.1039/D2CP01683D

A new ratiometric switch “two-way” detects hydrazine and hypochlorite via a “dye-release” mechanism with a PBMC bioimaging study

Lakshman Patra, Partha Pratim Das, Kakali Ghoshal, Saswati Gharami, James W. Walton, Maitree Bhattacharyya, Tapan Kumar Mondal

2022-09-02 Paper

DOI: 10.1039/D2CP02482A

Tuning the structural stability and electrochemical properties in graphene anode materials by B doping: a first-principles study

Xialei Guo, Yuhua Hou, Xuan Chen, Ruyan Zhang, Wei Li, Xiaoma Tao, Youlin Huang

2022-08-18 Paper

DOI: 10.1039/D2CP02730E

Front cover

2022-08-31 Cover

DOI: 10.1039/D2CP90160A

您可能还喜欢

化合物问答

什么是2-Bromo-1-(pyrimidin-2-yl)ethanone hydrobromide(CAS号:1588441-02-4)?

2-Bromo-1-(pyrimidin-2-yl)ethanone hydrobromide是一种有机化合物,分子式为C6H5Br2N2O2。它是一种溴代化合...

1588441-02-42-Bromo-1-(2-pyrimid...
化合物问答

在合成中是否有1-正-丁基-3-甲基咪唑鎓三氟甲烷磺酸盐(CAS号:174899-66-2)的替代品?

在合成中,可以考虑使用1-正-丁基-3-甲基咪唑鎓溴酸盐或1-正-丁基-3-甲基咪唑鎓氯酸盐作为替代品。这些化合物在性能上与1-正-丁基-3-甲基咪唑鎓三氟甲烷...

174899-66-21-Butyl-3-methyl-1H-...
化合物问答

2-methyl-5-thiophen-2-ylfuran-3-carboxylic acid(CAS号:651005-90-2)的市场或研究趋势如何?

目前,2-methyl-5-thiophen-2-ylfuran-3-carboxylic acid的研究主要集中在药物化学和新型材料领域。随着生物医药和有机合...

651005-90-22-Methyl-5-(thien-2-...
化合物问答

格列吡嗪杂质H(CAS号:13554-93-3)的主要用途是什么?

格列吡嗪杂质H主要作为药物中间体或副产物存在,并无特定的工业应用。在药物生产中,它可能需要被处理掉以保证最终药物的质量。

13554-93-3Ethyl (2-(4-((cycloh...
化合物问答

如何储存(9ci)-4-甲氧基-1H-苯并咪唑-2-乙腈(CAS号:317817-41-7)?

(9ci)-4-甲氧基-1H-苯并咪唑-2-乙腈应储存在阴凉、干燥、通风良好的地方,避免阳光直射。使用密封的玻璃或塑料容器储存,并确保容器的密封性良好,以防止挥...

317817-41-7(4-Methoxy-1H-benzim...
化合物问答

4,5,9,10-四氢苯芘(CAS号:781-17-9)应用于哪些行业?

4,5,9,10-四氢苯芘在医药行业用于作为某些药物的中间体,在聚合物行业用作添加剂提升材料的热稳定性,在传感器领域作为传感器的敏感材料,在半导体行业中用作掺杂...

781-17-94,5,9,10-Tetrahydrop...
化合物问答

处理叶酸-D4(CAS号:171777-72-3)时应注意哪些实验室安全事项?

处理叶酸-D4时应佩戴个人防护装备(PPE),如手套和实验服。操作应在通风橱内进行,以避免吸入蒸汽或粉尘。如果不慎泄露,应立即用大量清水冲洗,并通知安全人员。参...

171777-72-3Folic Acid-d4
化合物问答

如何处理含有6-溴-2-(三氟乙酰基)-1,2,3,4-四氢异喹啉(CAS号:252331-63-8)的废料?

含有该化合物的废料应收集到专用的容器中,并进行密封以防止挥发和泄漏。在处理前,需进行危险性评估,以确定是否需要进行化学处理。最终处置需遵循当地的危险废物管理规定...

252331-63-81-(6-bromo-3,4-dihyd...
化合物问答

4,5-二氟-2-甲氧基苯甲醛(CAS号:145742-34-3)的主要用途是什么?

4,5-二氟-2-甲氧基苯甲醛主要用作有机合成中的中间体,特别是在制药和农药领域。它可以作为合成其他有机化合物的原料。

145742-34-34,5-difluoro-2-metho...
化合物问答

5-溴-6-三氟甲基吲哚(CAS号:1198475-24-9)安全吗?

5-溴-6-三氟甲基吲哚作为一种化学试剂,具有一定的毒性,需要在通风橱中操作,并采取适当的安全措施以避免吸入、皮肤接触和眼睛刺激。应避免与皮肤和眼睛直接接触,并...

1198475-24-95-bromo-6-(trifluoro...

来源期刊

Analyst

Analyst
CiteScore: 7.8
自引率: 5.6%
年发文量: 653

Analyst publishes analytical and bioanalytical research that reports premier fundamental discoveries and inventions, and the applications of those discoveries, unconfined by traditional discipline barriers.

推荐供应商

免责声明
本页面提供的学术期刊信息仅供参考和研究使用。我们与任何期刊出版商均无关联,也不处理投稿事宜。如有投稿相关咨询,请直接联系相关期刊出版商。
如发现页面信息有误,请发送邮件至 support@chemtradehub.com 联系我们。我们将及时核实并处理您的问题。