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Up-regulation of microglial chemokine CXCL12 in anterior cingulate cortex mediates neuropathic pain in diabetic mice

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中国药理学报（英文版） 2023年第7期44卷 1337-1349页

作者： Zi-hua Song Xiang-Jie Song Chen-ling Yang Peng Cao Yu Mao Yan Jin Meng-yun Xu Hai-tao Wang Xia Zhu Wei Wang Zhi Zhang Wen-juan Tao Department of Anesthesiology The First Affiliated Hospital of USTCHefei National Research Center for Physical Sciences at the MicroscaleDivision of Life Sciences and MedicineUniversity of Science and Technology of ChinaHefei 230027China innovation Laboratory of Terahertz Biophysics National Innovation Institute of Defense TechnologyBeijing 100071China Department of Anesthesiology The First Affiliated Hospital of USTCHefei National Research Center for Physical Sciences at the MicroscaleDivision of Life Sciences and MedicineUniversity of Science and Technology of ChinaHefei 230027China Department of Physiology School of Basic Medical SciencesAnhui Medical UniversityHefei 230022China College & Hospital of stomatology Anhui Medical UniversityKey Lab.of Oral Diseases Research of Anhui ProvinceHefei 230022China Department of Anesthesiology The First Affiliated Hospital of USTCHefei National Research Center for Physical Sciences at the MicroscaleDivision of Life Sciences and MedicineUniversity of Science and Technology of ChinaHefei 230027China Department of Anesthesiology The First Affiliated Hospital of Anhui Medical UniversityHefei 230022China Department of Anesthesiology The First Affiliated Hospital of USTCHefei National Research Center for Physical Sciences at the MicroscaleDivision of Life Sciences and MedicineUniversity of Science and Technology of ChinaHefei 230027China Department of Endocrinology and Laboratory for Diabetes The First Affiliated Hospital of USTCDivision of Life Sciences and MedicineUniversity of Science and Technology of ChinaHefei 230001China Department of Endocrinology and Laboratory for Diabetes The First Affiliated Hospital of USTCDivision of Life Sciences and MedicineUniversity of Science and Technology of ChinaHefei 230001China

Diabetic patients frequently experience neuropathic pain,which currently lacks effective *** mechanisms underlying diabetic neuropathic pain remain *** anterior cingulate cortex(ACC)is well-known to participate in the processing and transformation of pain information derived from internal and external sensory *** evidence shows that dysfunction of microglia in the central nervous system contributes to many diseases,including chronic pain and neurodegenerative *** this study,we investigated the role of microglial chemokine CXCL12 and its neuronal receptor CXCR4 in diabetic pain development in a mouse diabetic model established by injection of streptozotocin(STZ).Pain sensitization was assessed by the left hindpaw pain threshold in von Frey filament ***1+ microglia in ACC was examined using combined immunohistochemistry and three-dimensional *** activity of glutamatergic neurons in ACC(ACCGlu)was detected by whole-cell recording in ACC slices from STZ mice,in vivo multi-tetrode electrophysiological and fiber photometric *** showed that microglia in ACC was significantly activated and microglial CXCL12 expression was up-regulated at the 7-th week post-injection,resulting in hyperactivity of ACCGlu and pain *** inhibition of microglia or blockade of CXCR4 in ACC by infusing minocycline or AMD3100 significantly alleviated diabetic pain through preventing ACCGlu hyperactivity in STZ *** addition,inhibition of microglia by infusing minocycline markedly decreased STZ-induced upregulation of microglial ***,this study demonstrated that microglia-mediated ACCGlu hyperactivity drives the development of diabetic pain via the CXCL12/CXCR4 signaling,thus revealing viable therapeutic targets for the treatment of diabetic pain.

关键词： diabetic neuropathic pain anterior cingulate cortex microglia glutamatergic neurons microglia-neuron communication CXCL12/CXCR4 signaling minocycline AMD3100

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Extending Plasma Channels for Enhanced Terahertz Wave Generation with Spatial Light Modulator

Extending Plasma Channels for Enhanced Terahertz Wave Genera...

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IEEE International Conference on Plasma science (ICOPS)

作者： Y. Feng R. Wang C. Liu Y. Ai X. Qu Y. Huang Innovation Laboratory of Terahertz Biophysics National Innovation Institute of Defense Beijing China School of Physical Electronics University of Electronic Science and Technology of China Chengdu China National Innovation Institute of Defense Beijing China

ISBN: (数字)9798350360912

ISBN: (纸本)9798350360929

Focusing dual-color femtosecond laser to ionize the air is an effective method for generating terahertz (THz) waves. The ionized air forms an elongated plasma channel, and the length of the plasma channel is a crucial factor affecting the output of terahertz waves. Previous studies showed controlled filamentation generation process using fixed optical elements such as cylindrical lens and phase plate. However, these methods lacked flexibility and precision. In this study, we propose a programmable control method for the filamentation generation process based on phase-only light modulating using the liquid crystal spatial light modulator (LC-SLM). By employing a fan shaped phase segmentation method, we calculate phase patterns for the liquid crystal surface of SLM to modulate the phase in the entrance pupil plane. This process generates multifocal spots in the axial direction. Further, we create an optical line to extend the plasma channel by manipulating the positions of axial-aligned spots through algorithm. Through electro-optic sampling (EOS) experiments, we demonstrate a significant enhancement in the terahertz field by the prolonged plasma channel. Our method effectively overcomes the saturation effects caused by laser intensity clamping and has an efficient improvement in the conversion efficiency of terahertz waves. In summary, our approach offers a flexible and simple way to extend plasma channels and enhance the output of terahertz waves, holding great potential in the field of terahertz biology and communication.

关键词： Integrated optics Biomedical optical imaging Process control Optical saturation Plasmas Ultrafast optics Optical modulation

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Implementation of contact line motion based on the phase-field lattice Boltzmann method

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physical Review E 2024年第4期109卷 045307-045307页

作者： Long Ju Zhaoli Guo Bicheng Yan Shuyu Sun Computational Transport Phenomena Laboratory (CTPL) King Abdullah University of Science and Technology (KAUST) Thuwal 23955-6900 Kingdom of Saudi Arabia Institute of Interdisciplinary Research for Mathematics and Applied Science Huazhong University of Science and Technology Wuhan 430074 China Energy Resource and Petroleum Engineering Program Physical Science and Engineering Division King Abdullah University of Science and Technology (KAUST) Thuwal 23955-6900 Kingdom of Saudi Arabia

This paper proposes a strategy to implement the free-energy-based wetting boundary condition within the phase-field lattice Boltzmann method. The greatest advantage of the proposed method is that the implementation of contact line motion can be significantly simplified while still maintaining good accuracy. For this purpose, the liquid-solid free energy is treated as a part of the chemical potential instead of the boundary condition, thus avoiding complicated interpolations with irregular geometries. Several numerical testing cases, including droplet spreading processes on the idea flat, inclined, and curved boundaries, are conducted, and the results demonstrate that the proposed method has good ability and satisfactory accuracy to simulate contact line motions.

关键词： Contact line dynamics Wetting Lattice-Boltzmann methods

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A carnivorous mushroom paralyzes and kills nematodes via a volatile ketone

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science Advances 2023年第3期9卷 000-000页

作者： Lee, Ching-Han Lee, Yi-Yun Chang, Yu-Chu Pon, Wen-Li Lee, Sue-Ping Wali, Niaz Nakazawa, Takehito Honda, Yoichi Shie, Jiun-Jie Hsueh, Yen-Ping Institute of Molecular Biology Academia Sinica Taipei11529 Taiwan Molecular Cell Biology Taiwan International Graduate Program Academia Sinica Graduate Institute of Life Science National Defense Medical Center Taipei Taiwan Department of Biochemistry and Molecular Cell Biology School of Medicine Taipei Medical University Taipei11031 Taiwan Institute of Chemistry Academia Sinica Taipei11529 Taiwan Institute of Biochemical Sciences National Taiwan University Taipei10617 Taiwan Chemical Biology and Molecular Biophysics Taiwan International Graduate Program Academia Sinica Taipei10617 Taiwan Graduate School of Agriculture Kyoto University Sakyo-ku Kyoto606-8502 Japan Department of Biochemical Science and Technology National Taiwan University Taipei10617 Taiwan Institute of Biochemistry and Molecular Biology College of Medicine National Taiwan University Taipei10051 Taiwan Department of Biochemical Science and Technology National Chiayi University Chiayi City60004 Taiwan

The carnivorous mushroom Pleurotus ostreatus uses an unknown toxin to rapidly paralyze and kill nematode prey upon contact. We report that small lollipop-shaped structures (toxocysts) on fungal hyphae are nematicidal and that a volatile ketone, 3-octanone, is detected in these fragile toxocysts. Treatment of Caenorhabditis elegans with 3-octanone recapitulates the rapid paralysis, calcium influx, and neuronal cell death arising from fungal contact. Moreover, 3-octanone disrupts cell membrane integrity, resulting in extracellular calcium influx into cytosol and mitochondria, propagating cell death throughout the entire organism. Last, we demonstrate that structurally related compounds are also biotoxic to C. elegans, with the length of the ketone carbon chain being crucial. Our work reveals that the oyster mushroom has evolved a specialized structure containing a volatile ketone to disrupt the cell membrane integrity of its prey, leading to rapid cell and organismal death in nematodes. Copyright © 2023 The Authors, some rights reserved

关键词： Ketones

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Functional characterization,structural basis,and protein engineering of a rare flavonoid 2′-O-glycosyltransferase from Scutellaria baicalensis

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Acta Pharmaceutica Sinica B 2024年第8期14卷 3746-3759页

作者： Zilong Wang Xueqing Du Guo Ye Haotian Wang Yizhan Liu Chenrui Liu Fudong Li HansÅgren Yang Zhou Junhao Li Chao He De-An Guo Min Ye State Key Laboratory of Natural and Biomimetic Drugs School of Pharmaceutical SciencesPeking UniversityBeijing 100191China Anhui Key Laboratory of Modern Biomanufacturing and School of Life Sciences Anhui UniversityHefei 230601China National Science Center for Physical Sciences at Microscale Division of Molecular&Cell Biophysics and School of Life Sciences University of Science and Technology of ChinaHefei 230026China Department of Physics and Astronomy Uppsala UniversityUppsala SE-75120Sweden School of Pharmacy Jinan UniversityGuangzhou 510632China Shanghai Research Center for Modernization of Traditional Chinese Medicine Shanghai Institute of Materia MedicaChinese Academy of SciencesShanghai 201203China

Glycosylation is an important post-modification reaction in plant secondary metabolism,and contributes to structural diversity of bioactive natural *** plants,glycosylation is usually catalyzed by *** 2′-O-glycosides are rare ***,no UGTs have been reported,thus far,to specifically catalyze 2′-O-glycosylation of *** this work,UGT71AP2 was identified from the medicinal plant Scutellaria baicalensis as the first flavonoid 2′-*** could preferentially transfer a glycosyl moiety to 2′-hydroxy of at least nine flavonoids to yield six new *** of the 2′-O-glycosides showed noticeable inhibitory activities against cyclooxygenase *** crystal structure of UGT71AP2(2.15Å)was solved,and mechanisms of its regio-selectivity was interpreted by pKa calculations,molecular docking,MD simulation,MM/GBSA binding free energy,QM/MM,and hydrogen‒deuterium exchange mass spectrometry *** structure-guided rational design,we obtained the L138T/V179D/M180T mutant with remarkably enhanced regio-selectivity(the ratio of 7-O-glycosylation byproducts decreased from 48%to 4%)and catalytic efficiency of 2′-O-glycosylation(kcat/Km,0.23 L/(s·μmol),12-fold higher than the native).Moreover,UGT71AP2 also possesses moderate UDP-dependent de-glycosylation activity,and is a dual function *** work provides an efficient biocatalyst and sets a good example for protein engineering to optimize enzyme catalytic features through rational design.

关键词： Glycosyltransferase Regio-selectivity Crystal structure De-glycosylation Catalytic mechanisms

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Infrared nanoimaging of nanoscale sliding dislocation of collagen fibrils

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Nano Research 2022年第3期15卷 2355-2361页

作者： Zhi Qiao Mengfei Xue Yongqian Zhao Yindong Huang Ming Zhang Chao Chang Jianing Chen Key Laboratory for Physical Electronics and Devices of the Ministry of Education School of Electronic Science and EngineeringXi'an Jiaotong UniversityXi’an 710049China Innovation Laboratory of Terahertz Biophysics National Innovation Institute of Defense TechnologyBeijing 100071China Wenzhou Institute University of Chinese Academy of SciencesWenzhou 325001China Institute of Physics Chinese Academy of Sciences and Beijing National Laboratory for Condensed Matter PhysicsBeijing 100190China School of Physical Sciences University of Chinese Academy of SciencesBeijing 100049China Department of Neurobiology Collaborative Innovation Center for Brain Science and Shaanxi Key Laboratory of Brain DisordersSchool of Basic MedicineFourth Military Medical UniversityXi’an 710032China Songshan Lake Materials Laboratory Dongguan 523808China

Collagen,one of the major components in the mammalian connective tissues,plays an essential role in many vital physiological *** common diseases,such as fibrosis,overuse injuries,and bone fracture,are associated with collagen arrangement ***,the underlying mechanism of collagen arrangement defects remains *** this study,we applied infrared scattering-type scanning near-field optical microscopy to study collagen fibrils’structural ***,we observed two types of collagen fibrils’arrangement with different periodic characteristics.A crystal sliding model was employed to explain this observation *** results suggest that the collagen dislocation propagates in collagen fibrils,which may shed light on many collagen diseases’*** findings help to understand the regulation mechanism of hierarchical biological structure.

关键词： scattering near-field optical microscopy collagen fibrils dislocation D periodicity

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Thermodynamics-inspired Explanations of Artificial Intelligence

arXiv

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arXiv 2022年

作者： Mehdi, Shams Tiwary, Pratyush Biophysics Program Institute for Physical Science and Technology University of Maryland College Park20742 United States Department of Chemistry and Biochemistry Institute for Physical Science and Technology University of Maryland College Park20742 United States University of Maryland Institute for Health Computing RockvilleMD United States

In recent years, predictive machine learning methods have gained prominence in various scientific domains. However, due to their black-box nature, it is essential to establish trust in these models before accepting them as accurate. One promising strategy for assigning trust involves employing explanation techniques that elucidate the rationale behind a black-box model’s predictions in a manner that humans can understand. However, assessing the degree of human interpretability of the rationale generated by such methods is a nontrivial challenge. In this work, we introduce interpretation entropy as a universal solution for assessing the degree of human interpretability associated with any linear model. Using this concept and drawing inspiration from classical thermodynamics, we present Thermodynamics-inspired Explainable Representations of AI and other black-box Paradigms (TERP), a method for generating accurate, and human-interpretable explanations for black-box predictions in a model-agnostic manner. To demonstrate the wide-ranging applicability of TERP, we successfully employ it to explain various black-box model architectures, including deep learning Autoencoders, Recurrent Neural Networks, and Convolutional Neural Networks, across diverse domains such as molecular simulations, text, and image classification. © 2022, CC BY.

关键词： Thermodynamics

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A subpopulation of CD146^(+) macrophages enhances antitumor immunity by activating the NLRP3 inflammasome

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Cellular & Molecular Immunology 2023年第8期20卷 908-923页

作者： Lin Jing Yunhe An Tanxi Cai Jianquan Xiang Baoming Li Jiang Guo Xinran Ma Ling Wei Yanjie Tian Xiaoyan Cheng Xuehui Chen Zheng Liu Jing Feng Fuquan Yang Xiyun Yan Hongxia Duan Key Laboratory of Protein and Peptide Pharmaceutical Institute of BiophysicsChinese Academy of SciencesBejing 100101China Institute of Analysis and Testing Beijing Academy of Science and Technology(Bejing Center for Physical and Chemical Analysis)No.7 Fengxian Middle StreetHaidian DistrictBeijing 100094China Sino-Danish College University of Chinese Academy of SciencesBeijing100049China Laboratory of Proteomics Institute of BiophysicsChinese Academy of SciencesBeijingChina College of Life Sciences University of Chinese Academy of SciencesBeijing100049China Department of Interventional Oncology Beijing Ditan HospitalCapital Medical UniversityNo.8 Jingshun East StreetChaoyang DistrictBeijing100015China Joint Laboratory of Nanozymes in Zhengzhou University School of Basic Medical SciencesZhengzhou UniversityZhengzhou450001China

As one of the main tumor-infiltrating immune cell types, tumor-associated macrophages (TAMs) determine the efficacy of immunotherapy. However, limited knowledge about their phenotypically and functionally heterogeneous nature restricts their application in tumor immunotherapy. In this study, we identified a subpopulation of CD146+ TAMs that exerted antitumor activity in both human samples and animal models. CD146 expression in TAMs was negatively controlled by STAT3 signaling. Reducing this population of TAMs promoted tumor development by facilitating myeloid-derived suppressor cell recruitment via activation of JNK signaling. Interestingly, CD146 was involved in the NLRP3 inflammasome-mediated activation of macrophages in the tumor microenvironment, partially by inhibiting transmembrane protein 176B (TMEM176B), an immunoregulatory cation channel. Treatment with a TMEM176B inhibitor enhanced the antitumor activity of CD146+ TAMs. These data reveal a crucial antitumor role of CD146+ TAMs and highlight the promising immunotherapeutic approach of inhibiting CD146 and TMEM176B.

关键词： Tumor-associated macrophages CD146 Inflammasome TMEM176B Tumor immunotherapy

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The effect of real-time pose recognition on badminton learning performance

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Interactive Learning Environments 2023年第8期31卷 4772-4786页

作者： Lin, Kuo-Chin Ko, Cheng-Wen Hung, Hui-Chun Chen, Nian-Shing Center for Physical and Health Education National Sun Yat-sen University Kaohsiung Taiwan Department of Computer Science and Engineering National Sun Yat-sen University Kaohsiung Taiwan Graduate Institute of Network Learning Technology National Central University Chung-Li Taiwan Institute for Research Excellence in Learning Sciences and Program of Learning Sciences National Taiwan Normal University Taipei Taiwan

Badminton is a very popular subject in physical Education (PE). Many students enroll badminton courses in every semester which pose a tremendous teaching load to the instructors. The one-on-one guiding/feedback time provided by the instructor to each student is also greatly reduced. To overcome this challenge, some studies have tried to adopt pose recognition technique in teaching badminton. However, the lack of mobility and recognition accuracy problems hinder its applicability. To address this issue, a new pose recognition technique, OpenPose, was employed to develop a real-time pose recognition badminton teaching APP in this study. The APP was then installed on a mobile device to enhance badminton smash skill learning performance. The scores distribution of the experimental group shows majority of students achieved satisfactory performance, this implies the badminton teaching APP is helpful to all students no matter what their initial skill levels are. © 2021 Informa UK Limited, trading as Taylor & Francis Group.

关键词： badminton teaching motor skill learning physical education Pose recognition real-time feedback

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Empowering AlphaFold2 for protein conformation selective drug discovery with AlphaFold2-RAVE

arXiv

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arXiv 2024年

作者： Gu, Xinyu Aranganathan, Akashnathan Tiwary, Pratyush Institute for Physical Science and Technology University of Maryland College ParkMD20742 United States Department of Chemistry and Biochemistry University of Maryland College Park20742 United States University of Maryland Institute for Health Computing Bethesda United States Biophysics Program University of Maryland College Park20742 United States

Small molecule drug design hinges on obtaining co-crystallized ligand-protein structures. Despite AlphaFold2’s strides in protein native structure prediction, its focus on apo structures overlooks ligands and associated holo structures. Moreover, designing selective drugs often benefits from the targeting of diverse metastable conformations. Therefore, direct application of AlphaFold2 models in virtual screening and drug discovery remains tentative. Here, we demonstrate an AlphaFold2 based framework combined with all-atom enhanced sampling molecular dynamics and induced fit docking, named AF2RAVE-Glide, to conduct computational model based small molecule binding of metastable protein kinase conformations, initiated from protein sequences. We demonstrate the AF2RAVE-Glide workflow on three different protein kinases and their type I and II inhibitors, with special emphasis on binding of known type II kinase inhibitors which target the metastable classical DFG-out state. These states are not easy to sample from AlphaFold2. Here we demonstrate how with AF2RAVE these metastable conformations can be sampled for different kinases with high enough accuracy to enable subsequent docking of known type II kinase inhibitors with more than 50% success rates across docking calculations. We believe the protocol should be deployable for other kinases and more proteins generally. © 2024, CC BY.

关键词： Ligands

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