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Deep learning-based drug screening for the discovery of potential therapeutic agents for Alzheimer's disease

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Journal of Pharmaceutical Analysis 2024年第10期14卷 1514-1526页

作者： Tong Wu Ruimei Lin Pengdi Cui Jie Yong Heshui Yu Zheng Li College of Pharmaceutical Engineering of Traditional Chinese Medicine Tianjin University of Traditional Chinese MedicineTianjin301617China State key laboratory of Component-Based Chinese Medicine Tianjin301617China Haihe laboratory of modern Chinese Medicine Tianjin301617China National key laboratory of Chinese Medicine modernization Tianjin301617China

Alzheimer's disease(AD)is gradually increasing in prevalence and the complexity of its pathogenesis has led to a lengthy process of developing therapeutic drugs with limited *** with this challenge,we proposed using a state-of-the-art drug screening algorithm to identify potential therapeutic compounds for AD from traditional Chinese medicine formulas with strong empirical *** developed four deep neural network(DNN)models for AD drugs screening at the disease and target *** AD model was trained with compounds labeled for AD activity to predict active compounds at the disease level,while the acetylcholinesterase(AChE),monoamine oxidase-A(MAO-A),and 5-hydroxytryptamine 6(5-HT6)models were trained for specific AD *** four models performed excellently and were used to identify potential AD agents in the Kaixinsan(KXS)***-scoring compounds underwent experimental validation at the enzyme,cellular,and animal *** like 2,4-di-tert-butylphenol and elemicin showed significant binding and inhibitory effects on AChE and ***,13 compounds,includingα-asarone,penetrated the blood-brain barrier(BBB),indicating potential brain target binding,and eight compounds enhanced microglialβ-amyloid phagocytosis,aiding in clearing AD pathological *** results demonstrate the effectiveness of deep learning models in developing AD therapies and provide a strong platform for AD drug discovery.

关键词： Alzheimer'sdisease Deep learning modelsl drug screeningl Kaixinsan formulal Acetylcholinesterasel Monoamine oxidase-A

Influence of incident light polarization on photonic nanojet

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Chinese Optics Letters 2011年第7期9卷 87-89页

作者：刘勇王保勇丁志华 State key lab of modern Optical Instrumentation Zhejiang University Department of Physics Zhaoqing University

Dielectric microspheres can confine light in a three-dimensional （3D） region called photonic nanojet is shown when they are illuminated by different polarized beams. The influence of incident light polarization on photonic nanojet using the finite-difference time-domain （FDTD） method is demostrated. The axial field intensity profiles of photonic nanojets for both the linear and circular polarization incident beams are very similar. Azimuthal polarization incident beam induces a doughnut beam along the optical axis, while the radial polarization incident beam permits one to reach an effective volume as small as 0.7（λ/n）3.

关键词： Finite difference time domain method Light polarization Three dimensional Time domain analysis

Light energy matching method in high-resolution image reconstruction

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Chinese Optics Letters 2003年第5期1卷 275-277页

作者：王凌徐之海冯华君张平 State key lab of modern Optical Instrumentation Zhejiang UniversityHangzhou 310027

Many approaches for high-resolution image reconstruction have been proposed in some literatures. One of the most commonly ways is to reconstruct a high-resolution image from a number of rotated and translated images with low resolution. In this process, the exposure difference among original images will decrease the quality of the reconstructed image. In order to remove the influence of the exposure difference, a light energy matching method is proposed in this paper. The theoretical analysis is illustrated in details. Experimental results show that the theoretical analysis is correct and the proposed method is valid.

关键词： Optical resolving power

Cross-talk correction in dual-labeled fluorescent microarray scanning

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Chinese Optics Letters 2004年第3期2卷 162-164页

作者：王立强陆祖康倪旭翔 State key lab of modern Optical Instrumentation Zhejiang University Hangzhou 310027

Cross-talk phenomenon in dual-labeled fluorescent microarray scanning is analyzed from cross-excitation and cross-emission. It is turned out that the spectral overlap of the fluorophores is crucial for cross-talk error, and this error can be corrected by an image subtraction method. The experiment was successfully applied to separate the Cy3 channel and the Cy5 channel in microarray scanning. The cross-talk error was reduced from more than 1% to about 0.1%.

关键词： Crosstalk DNA

Design of tunable wavelength microcavity organic electroluminescent diode with liquid crystal

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Chinese Optics Letters 2003年第9期1卷 550-552页

作者：陈海星王建浦沈伟东李海峰刘旭顾培夫 State key lab of modern Optical Instrumentation ZheJiang University HangZhou 310027

A novel designed method for tunable wavelength microcavity organic electroluminescent diode (MOLED) based on the birefringence of liquid crystal was presented. By modulated the refractive index of liquid crystal, the device could radiate with different wavelength continuously. The simulated result showed that the tunable range could reach to 60 nm and the full width of half maximum is 5.5 nm. The device could be applied to wavelength converter and tunable light source.

关键词： Electroluminescence Liquid crystals Refractive index

Real-time motion deblurring algorithm with robust noise suppression

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Journal of Zhejiang University-Science C(Computers and Electronics) 2010年第5期11卷 375-380页

作者： Hua-jun FENG Yong-pan WANG Zhi-hai XU Qi LI Hua LEI Ju-feng ZHAO State key lab of modern Optical Instrumentation Zhejiang University Hangzhou 310027 China

In an image restoration process,to obtain good results is challenging because of the unavoidable existence of noise even if the blurring information is already *** suppress the deterioration caused by noise during the image deblurring process,we propose a new deblurring method with a known ***,the noise in the measurement process is assumed to meet the Gaussian distribution to fit the natural noise ***,the first and second orders of derivatives are supposed to satisfy the independent Gaussian distribution to control the non-uniform *** results show that our method is obviously superior to the Wiener filter,regularized filter,and Richardson-Lucy(RL) ***,owing to processing in the frequency domain,it runs faster than the other algorithms,in particular about six times faster than the RL algorithm.

关键词： Motion blurring Motion kernel Gaussian distribution

Robust protein microarray image segmentation using improved seeded region growing algorithm

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Chinese Optics Letters 2003年第9期1卷 520-522页

作者：王立强倪旭翔陆祖康 State key lab of modern Optical Instrumentation Zhejiang University Hangzhou 310027

Protein microarray technology has recently emerged as a powerful tool for biomedical research. Before automatic analysis the protein microarray images, protein spots in the images must be determined appropriately by spot segmentation algorithm. In this paper, an improved seeded region growing (ISRG) algorithm for protein microarray segmentation is presented, the seeds are obtained by finding the positions of the printed spots, and the protein spot regions are grown through these seeds. The experiment results show that the presented algorithm is accurate for adaptive shape segmentation and robust for protein microarray images contaminated by noise.

关键词： Biomedical engineering Proteins

Photoinduced Reconstruction of Electronic Structure in Half-Metal CrO2

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Chinese Physics Letters 2007年第12期24卷 3509-3512页

作者：吴雪炜牛东林刘晓峻 Department of Electronic Science and Engineering Key Lab of Modern Acoustics of MOE Nanjing University Nanjing 210093

We investigate the photoinduced effects on the electronic structure for half-metallic ferromagnet CrO2 （Tc 390 K）, in which the conducting electrons are totally polarized, by using the LSDA＋U method. A significant change is found for the band structure and the density of states （DOS） for CrO2 under photo-excitation, especially for the Cr 3dt2g band： disappearance of the spin-split band, suggesting collapse of the half-metallic state. We ascribe the change of electronic structure under photo-excitation to the wider one-electron band W via the strong hybridization of the down-spin Cr 3d and O 2p states. Furthermore we discuss the magnetic properties under photo-excitation.

关键词： thermoelectric half-Heusler compounds thermal conductivity

Numerical Simulation of Bell Inequality＇s Violation Using Optical Transverse Modes in Multimode Waveguides

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Chinese Physics Letters 2008年第7期25卷 2350-2353页

作者：符建高淑娟 State key lab of modern Optical Instrumentation Department of Optical Engineering Zhejiang University Hangzhou 310027

We numerically demonstrate that ＇mode-entangled states＇ based on the transverse modes of classical optical fields in multimode waveguides violate Bell＇s inequality. Numerically simulating the correlation measurement scheme of Bell＇s inequality, we obtain the normalized correlation functions of the intensity fluctuations for the two entangled classical fields. By using the correlation functions, the maximum violations of Bell＇s inequality are obtained. This implies that the two classical fields in the mode-entangled states, although spatially separated, present a nonlocal correlation.

关键词： BEAM-PROPAGATION METHOD QUANTUMLIKE FIELDS PHOTON MEDIA