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A deep learning-driven discovery of berberine derivatives as novel antibacterial against multidrug-resistant Helicobacter pylori

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Signal Transduction and Targeted Therapy 2024年第8期9卷 3449-3466页

作者： Xixi Guo Xiaosa zhao Xi Lu Liping zhao Qingxuan Zeng Fenbei Chen Zhimeng Zhang Mengyi Xu Shijiao feng Tianyun Fan Wei Wei Xin Zhang Jing Pang Xuefu You Danqing Song Yanxiang Wang Jiandong Jiang Institute of Medicinal Biotechnology Chinese Academy of Medical Sciences and Peking Union Medical College100050 BeijingChina School of Information Science and Technology Northeast Normal UniversityChangchun 130117China Department of Pharmacy Affiliated Hospital of Jining Medical UniversityJining Medical UniversityJining 272029 ShandongChina Institute of Health and Medicine Hefei Comprehensive National Science CenterHefei230601AnhuiChina

Helicobacter pylori(***)is currently recognized as the primary carcinogenic pathogen associated with gastric tumorigenesis,and its high prevalence and resistance make it difficult to tackle.A graph neural network-based deep learning model,employing different training sets of 13,638 molecules for pre-training and fine-tuning,was aided in predicting and exploring novel molecules against ***.A positively predicted novel berberine derivative 8 with 3,13-disubstituted alkene exhibited a potency against all tested drug-susceptible and resistant *** strains with minimum inhibitory concentrations(MICs)of 0.25-0.5μg/*** studies demonstrated an ideal gastric retention of 8,with the stomach concentration significantly higher than its MIC at 24 h post *** administration of 8 and omeprazole(OPZ)showed a comparable gastric bacterial reduction(2.2-log reduction)to the triple-therapy,namely OPZ+amoxicillin(AMX)+clarithromycin(CLA)without obvious disturbance on the intestinal flora.A combination of OPZ,AMX,CLA,and 8 could further decrease the bacteria load(2.8-log reduction).More importantly,the mono-therapy of 8 exhibited comparable eradication to both triple-therapy(OPZ+AMX+CLA)and quadrupletherapy(OPZ+AMX+CLA+bismuth citrate)*** and BamD,playing a major role in outer membrane protein(OMP)transport and assembling,were identified and verified as the direct targets of 8 by employing the chemoproteomics technique.n summary,by targeting the relatively conserved OMPs transport and assembling system,8 has the potential to be developed as a novel *** candidate,especially for the eradication of drug-resistant strains.

关键词： berberine stomach retention

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An improved HASM method for dealing with large spatial data sets

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Science China Earth Sciences 2018年第8期61卷 1078-1087页

作者： Na zhao Tianxiang YUE Chuanfa CHEN Miaomiao zhao Zhengping DU State Key Laboratory of Resources and Environment Information System Institute of Geographic Sciences and Natural Resources Research Chinese Academy of Sciences Beijing 100101 China Jiangsu Center for Collaborative Innovation in Geographic Information Resource Development and Application Nanjing 210023 China College of Resources and Environment University of Chinese Academy of Sciences Beijing 100101 China Geomatics College Shandong University of Science and Technology Qingdao 266510 China

Surface modeling with very large data sets is challenging. An efficient method for modeling massive data sets using the high accuracy surface modeling method(HASM) is proposed, and HASM_Big is developed to handle very large data sets. A large data set is defined here as a large spatial domain with high resolution leading to a linear equation with matrix dimensions of hundreds of thousands. An augmented system approach is employed to solve the equality-constrained least squares problem(LSE) produced in HASM_Big, and a block row action method is applied to solve the corresponding very large matrix equations.A matrix partitioning method is used to avoid information redundancy among each block and thereby accelerate the *** including numerical tests and real-world applications are used to compare the performances of HASM_Big with its previous version, HASM. Results show that the memory storage and computing speed of HASM_Big are better than those of HASM. It is found that the computational cost of HASM_Big is linearly scalable, even with massive data sets. In conclusion,HASM_Big provides a powerful tool for surface modeling, especially when there are millions or more computing grid cells.

关键词： Surface modeling HASM Large spatial data

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Slag design and optimization for iron capturing platinum group metals from alumina-based spent catalysts

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Rare Metals 2023年第6期42卷 2093-2103页

作者： Xue-feng He Xi-Ping Yin Yun-Ji Ding Zhi-Sheng Shi Bao-Huai zhao Huan-Dong Zheng Jin-Xin Jian Shen-Gen Zhang Chein-Chi Chang Research Center for Metal Materials Recycling Institute for Advanced Materials and TechnologyUniversity of Science and Technology BeijingBeijing100083China Shunde Innovation Institute of University of Science and Technology Beijing Foshan528399China Institute of Engineering Technology Sinopec Catalyst Co.Ltd.Beijing101111China Department of Engineering and Technical Services District of Columbia Water and Sewer AuthorityWashington DC20032USA

Production of petrochemical catalysts accounts for one of the largest shares of platinum group metals(PGMs) consumption;thus,recycling of spent petrochemical catalysts holds great economic ***,PGMs are recovered through hydrometallurgical processes which have a low recovery efficiency and produce a large amount of *** this regard,this paper proposed a method to use iron-capturing PGMs based on CaO-Al_(2)O_(3)-Na_(2)O *** method avoided the formation of Fe-Si alloy and achieved efficient enrichment of *** droplet force model showed that the recovery efficiency of PGMs could be improved if the slag had low density and low *** on this result,FactSage software optimized the composition of ***,the effect of B_(2)O_(3) on the 1400 ℃ liquidus of CaO-Al_(2)O_(3)-Na_(2)O_(3)-B_(2)O_(3) phase diagram was ***,it was found that the recovery efficiency of PGMs exceeded 99% under the following optimized conditions:basicity of 1.0,20 wt%Na_(2)O,15 wt% B_(2)O_(3),15 wt% Fe,3 wt% C and a temperature range of 1400-1500℃.The thermodynamic model revealed the mechanism of iron *** chemical bonds prevented the formation of bonds between the alloy and slag,resulting in the separation of the slag from the *** particles and iron microspheres had significant surface Gibbs free *** when iron microspheres and PGMs particles collided and fused with each other to reduce their surface area could the Gibbs free energy of the system be reduced.

关键词： Slag type design Spent catalyst Alumina Platinum group metals(PGMs) Iron capture

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Population divergence of aggregation pheromone responses in Ips subelongatus in northeastern China

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Insect Science 2016年第5期23卷 728-738页

作者： Da-feng Chen Ye-Jing Li Qing-He Zhang Su-Fang Zhang Hong-Bin Wang Zhen Zhang Li-Lin zhao Xiang-Bo Kong Key Laboratory of Forest Protection of State Forestry Administration Research Institute of Forest Ecology Environment and Protection Chinese Academy of Forestry Beijing China State Key Laboratory of Integrated Management of Pest Insects and Rodents Institute of Zoology Chinese Academy of Sciences Beijing China Sterling International Inc. Spokane Washington USA

The Asian larch bark beetle, Ips subelongatus, is considered to be the major pest of larch within its natural range. We investigated the electrophysiological and behavioral characteristics as well as mitochondrial DNA cytochrome oxidase subunit I sequences of L subelongatus from 13 geographic populations throughout northeastern China in order to explore population divergence of aggregation pheromone responses and the extent of potential genetic divergence. Electrophysiological analyses showed that antennae of I. sube-longatus from all the six tested populations responded strongly to （S）-（-）-ipsenol （100% detection; 0.35-0.73 mV） in gas chromatography （GC）-electroantennographic detection （EAD） analyses, while its antipode, （R）-（＋）-ipsenol was antennally inactive. I. subelon- gatus populations varied in their responses to （R）-（-）- and （S）-（＋）-ipsdienol in GC-EAD analyses. Behavioral bioassays demonstrated that （S）-（-）-ipsenol alone was significantly attractive at all the tested sites, supporting its status as a key pheromone component of L subelongatus, whereas （S）-（＋）-ipsdienol was inactive alone. Adding （S）-（＋）-ipsdienol to （S）-（-）-ipsenol did not have any effect on the trap catches from some populations in Inner Mongolia. However, （S）-（＋）-ipsdienol showed a strong synergistic effect on （S）-（-）- ipsenol from several populations in Jilin and Liaoning Provinces, and a weak synergistic effect from some transition populations in Heilongjiang Province. Furthermore, 27 mito- chondrial haplotypes were found among the 13 populations （intraspecific nucleotide di- vergence, 0.1%-1.1%）. Analyses of molecular variance and haplotype networks indicated that different geographic populations have developed some genetic variation but did not form completely independent groups. From an applied point of view, a universal synthetic binary blend ofracemic ipsenol and （S）-（＋）-ipsdienol might have a potential for monitoring or even mass-trapping of I. subelongatus across northeastern Chin

关键词： aggregation pheromone GC-EAD field trapping Ips subelongatus mtDNA-COI population divergence

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The influence of diabetes enhanced inflammation on cell apoptosis and periodontitis

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Advances in Bioscience and Biotechnology 2012年第6期3卷 712-719页

作者： Tie-Lou Chen Er-Li Xu Hui-Jie Lu Heng Xu Shi-feng Wang hai-Jun zhao Yu-Ming Liu Department of endocrinology Hospital 411 of CPLA Shanghai PR China Department of Periodontol Diagnosis & Treatment Center of Stomatological Diseases of CPLA Hospital 411 of CPLA. 15 Dong Jiang Wan Road 200081 Shanghai PR China Department of Psychology Aerospace Engineering Medical College Fourth Military Medical University Xi’an China Hospital 411 of CPLA Shanghai PR China Naval Medical Research Institute Shanghai PR China

Aim: Diabetes mellitus is a metabolic disorder leading to hyperglycemia and exhibiting altered fat and protein metabolism. Diabetes altered cellular microenvironment caused myriad untoward effects. Periodontitis is chronic inflammatory disease. Diabetes and periodontitis had higher prevalence in populations. The objective studied the relationship between diabetes and periodontitis associated with cell apoptosis and the influence of diabetes enhanced inflammation on apoptosis and periodontitis. Methods: This paper studied and analyzed the papers which published in the worldwide associated with the influence of diabetes enhanced inflammation on cell apoptosis and periodontitis, and reviewed the probably mechanism associated with apoptosis. Results: Diabetes induced hyperglycemia enhanced inflammation related to cell apoptosis. Periodontitis had a higher morbidity on diabetes patients. Periodontal intervention may be benefit to controlling the diabetes. The bidirectional efficiency happened between diabetes and periodontitis. Anti-apoptotic and anti-inflammation option can improve the therapeutic effects on diabetes and periodontitis. The finding included following several aspects. 1) Advanced glycation end products enhanced inflammatory response;2) Hyperglycemia induced cell apoptosis;3) inflammatory cytokines caused cell apoptosis;4) Mutuality between cell apoptosis and periodontitis;5) Diabetes induce periodontitis and bone loss;6) Periodontitis induced insulin resistance. 7) TNFα induce prostaglandins elicited cell apoptosis;8) periodontal therapies had effects on diabetes. Conclusion: Diabetes can enhance inflamemation leading to apoptosis and periodontitis. Effective periodontal therapy and control glucose may produce better effects on diabetes or periodontitis. Further research required to investigate the bidirectional mechanism between diabetes and periodontitis.

关键词： Influence Diabetes Mellitus Inflammation Cell Apoptosis Periodontitis

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Role of mesocorticolimbic DA system in reinstatement induced by cue

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中国药理学与毒理学杂志 2018年第9期32卷 716-717页

作者： JING Man-yi HAN Xiao zhao Tai-yun LIU Wen-feng SONG Rui LI Jin Institute of Pharmacology and Toxicology Academy of Military Medical Sciences Academy of Mililtary Sciences Beijing 100850 China

OBJECTIVE Dopamine(DA)plays important roles in Pavlovian conditioning by mediating reward,learning and *** the conditioning stimulation(CS) is the most important inducement for reinstatement in *** present study investigated the specific role of the DA projections to nucleus accumbens(NAc) and medial prefrontal cortices(mPFC) from ventral tegmental area(VTA) in reinstatement induced by ***(1)Optogenetic intracranial self-stimulation and ***-Cre transgenic mice received an injection of adeno-associated viral vectors encoding channelrhodopsin2(ChR2) or control vector into the VTA resulting in the selective expression of these opsins in DA ***,we stimulated the VTA,NAc(core and shel) or mP FC [prelimbic cortex(PL) and infralimbic cortex(IL)] via an optical *** the reinforcement test,the mice with ChR2 learned instrumental responses corresponding to the delivery of photostimulation into the VTA with multiple frequencies and during time;in the reinstatement phase,stimulation of the DA projections to NAc(core or shell) or mPFC(IL and PL) from VTA to induce reinstatement after 2 weeks of extinction of self-stimulation.(2)Reinstatement in cocaine *** encoding ChR2 or hM4 Di were injected into VTA of DAT-Cre transgenic *** mice with ChR2 and hM4 Di in DA neurons were trained to establish self-administration of *** 2 weeks of extinction,laser stimulation of the DA projections to NAc(core or shel) or mP FC(IL and PL) was conducted to induce *** that,Clozapine was injected in NAc core to test the impacts of VTA-NAc core depression on the reinstatement induced by cue.(3) Photometry of VTA DA neurons in ***-Cre transgenic mice were received an injection of AAV-DIO-Gcamp6 m into *** cocaine self-administration and extinction,mice with Gcamp6 m were challenged by cue(paired with cocaine previously) and the photometry of VTA DA neurons was conducted dur

关键词： dopamine ventral tegmental area nucleus accumbens core and shell medial prefrontal cortex self-stimulation reinstatement

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Surface lattice resonances in dielectric metasurfaces for enhanced light-matter interaction [Invited]

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Chinese Optics Letters 2021年第6期19卷 66-71页

作者： Yuechen Jia Yingying Ren Xingjuan zhao feng Chen School of Physics State Key Laboratory of Crystal MaterialsShandong UniversityJinan 250100China Shandong Provincial Engineering and Technical Center of Light Manipulations&Shandong Provincial Key Laboratory of Optics and Photonic Device School of Physics and ElectronicsShandong Normal UniversityJinan 250014China

Lithium niobate(LiNbO_(3)) is a versatile crystalline material for various photonic applications. With the recent advances in LiNbO_(3)-on-insulator(LNOI) thin film technology, LiNbO_(3) has been regarded as one of the most promising platforms for multifunctional integrated photonics. In this work, we present the field enhancement due to collective resonances in arrayed LiNbO_(3) nanoantennas. These resonances arise from the enhanced radiative coupling of localized Mie resonances in the individual nanoparticles and Rayleigh anomalies due to in-plane diffraction orders of the lattice. We describe the pronounced differences in field enhancement and field distributions for electric and magnetic dipoles, offering valuable information for the design and optimization of high-quality-factor optical metasurfaces based on LiNbO_(3).

关键词： integrated optics nanophotonics lithium niobate Mie theory

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Effect of Soy Isoflavone Crude Extract Supplementation on High Fat Diet-induced Insulin Resistance in Ovariectomized Rats

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Biomedical and Environmental Sciences 2014年第1期27卷 49-51页

作者： ZHANG Yun Bo LI Li Na zhao Xin Yu CHEN Wen Hua GUO Jing Jing FU Zheng hai YANG Yang NA Xiao Lin Department of Environmental Hygiene School of Public HealthHarbin Medical University Human Resources School of Public HealthHarbin Medical University

Female Wister rats aged 8 weeks were randomly divided into sham operation group, ovariectomized （OVX） control group, and 20VX groups fed with soy isoflavone crude extract supplementation. The rats had free access to high fat diet and water for 9 weeks. No significant difference was found in body weight （BW）, total abdominal fat, food intake and food utilization rate between OVX control group and 20VX groups. However, the fasting blood glucose and blood lipid levels were significantly higher in 20VX groups than in OVX control group （P〈0.05）. Intraperitoneal glucose tolerance test （IGTI＂） showed that the area under AUC was smaller in 20VX groups than in OVX control group （P〈0.05）. These findings showed that soy isoflavone crude extract supplementation can improve glucose tolerance and prevent high fat diet-induced insulin resistance in ovariectomized rats.

关键词： Effect of Soy Isoflavone Crude Extract Supplementation on High Fat Diet-induced Insulin Resistance in Ovariectomized Rats than

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A theory on constructing blocked two-level designs with general minimum lower order confounding

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Frontiers of Mathematics in China 2016年第1期11卷 207-235页

作者： Yuna zhao Shengli zhao Min-Qian LIU LPMC and Institute of Statistics Nankai University Tianjin 300071 China School of Statistics Qufu Normal University Qufu 273165 China

Completely random allocation of the treatment combinations to the experimental units is appropriate only if the experimental units are homogeneous. Such homogeneity may not always be guaranteed when the size of the experiment is relatively large. Suitably partitioning inhomogeneous units into homogeneous groups, known as blocks, is a practical design strategy. How to partition the experimental units for a given design is an important issue. The blocked general minimum lower order confounding is a new criterion for selecting blocked designs. With the help of doubling theory and second order saturated design, we present a theory on constructing optimal blocked designs under the blocked general minimum lower order confounding criterion.

关键词： Aliased effect-number pattern general minimum lower orderconfounding second order saturated design Yates order

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Early hypoactivity of hippocampal rhythms during epileptogenesis after prolonged febrile seizures in freely-moving rats

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Neuroscience Bulletin 2015年第3期31卷 297-306页

作者： Bo feng Yang-Shun Tang Bin Chen Zheng-Hao Xu Yi Wang Deng-Chang Wu Hua-Wei zhao Shi-Hong Zhang Zhong Chen Department of Pharmacology Key Laboratory of Medical Neurobiology of the Ministry of Health of China Zhejiang Province Key Laboratory of Neurobiology College of Pharmaceutical Sciences School of Medicine Zhejiang University Zhejiang Chinese Medical University Department of Neurology First Affiliated Hospital Zhejiang University School of Medicine Epilepsy Center Department of Neurology Second Affiliated Hospital School of Medicine Zhejiang University

Prospective and experimental studies have shown that individuals with early-life complex/prolonged febrile seizures （FSs） have a high incidence of temporal lobe epilepsy during adulthood, revealing a close relationship between FSs and epilepsy. However, little is known about how epileptogenesis develops after FSs. The present study was designed to investigate acquired seizure susceptibility and analyze local field potentials during the latent period after FSs. We found that the seizure susceptibility decreased in 35-day- old （P35） FS rats but increased in P60 FS rats. Consistently, hippocampal electroencephalogram （EEG） power in every band was decreased at P35 but increased at P60 in FS rats. Our results provide direct evidence for hypoactivity but not hyperactivity during the early phase of the latent period, displaying a broad decrease in hippocampal rhythms. These characteristic EEG changes can be a useful biomarker for the early diagnosis of epileptogenesis induced by FSs.

关键词： febrile seizure seizure susceptibilityepilepsy hippocampal rhythms

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