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Tauroursodeoxycholic acid(TUDCA) inhibits influenza A viral infection by disrupting viral Proton channel M2

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Science Bulletin 2019年第3期64卷 180-188页

作者： Ning Li Yanxu Zhang Shuangxiu Wu Ruodan Xu Zhiqing Li Jindong Zhu Hongliang Wang Xiao Li Mingyao Tian Huijun Lu Ningyi Jin Chengyu Jiang State Key Laboratory of Medical Molecular Biology Institute of Basic Medical Sciences Chinese Academy of Medical Sciences Peking Union Medical College Tsinghua University China Academy of Chinese Medicine Sciences Interdisciplinary Nanoscience Center (iNANO) Department of Engineering Aarhus University Genetic Engineering Laboratory Institute of Military Veterinary Academy of Military Medical Sciences

Influenza is a persistent threat to human health and there is a continuing requirement for updating antiinfluenza strategies. Initiated by observations of different endoplasmic reticulum(ER) responses of host to seasonal H1N1 and highly pathogenic avian influenza(HPAI) A H5N1 infections, we identified an alternative antiviral role of tauroursodeoxycholic acid(TUDCA), a clinically available ER stress inhibitor, both in vitro and in vivo. Rather than modulating ER stress in host cells, TUDCA abolished the Proton conductivity of viral M2 by disrupting its oligomeric states, which induces inefficient viral infection. We also showed that M2 penetrated cells, whose intracellular uptake depended on its Proton channel activity,an effect observed in both TUDCA and M2 inhibitor amantadine. The identification and application of TUDCA as an inhibitor of M2 Proton channel will expand our understanding of IAV biology and complement current anti-IAV arsenals.

关键词： Influenza TUDCA M2 Proton channel Virus entry Cell-penetrating peptide Oligomerization inhibitor

Simulation of Proton–neutron collisions in inverse kinematics and its possible application

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Nuclear Science and Techniques 2021年第4期32卷 60-69页

作者： Bi-Lu Li Gang-Lin Yu Shi-Fei Shen Department of Engineering Physics Tsinghua UniversityBeijing 100084China

Neutrons have played a vital role in many nuclear physics fields.In some cases,the inverse kinematics of neutrons colliding with other nuclei are also worth studying.In this study,the inverse kinematics of thermal neutrons colliding with high-energy Protons is simulated by using the Monte Carlo method.Thermal neutrons are taken as target particles,whereas Protons are incident particles.The simulation implies that,after collision,the energy of the output neutron at 0°equals the energy of the incident Proton.A possible application of the result is proposed that might yield single-energy neutrons.Some key parameters of the conceptual design were evaluated,demonstrating that the design may reach high-neutron-energy resolution.

关键词： Inverse kinematics Mono-energetic neutron Proton Monte Carlo

First-principles calculations of F-, Cl-, and N-related defects of amorphous SiO_(2) and their impacts on carrier trapping and Proton release

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Chinese Physics B 2021年第4期30卷 453-458页

作者：高鑫乐云亮刘杨左旭 College of Electronic Information and Optical Engineering Nankai UniversityTianjin 300071China School of Information Engineering Yangzhou UniversityYangzhou 225127China Microsystem and Terahertz Research Center China Academy of Engineering PhysicsChengdu 610200China Institute of Electronic Engineering China Academy of Engineering PhysicsMianyang 621999China Municipal Key Laboratory of Photo-electronic Thin Film Devices and Technology Nankai UniversityTianjin 300071China Engineering Research Center of Thin Film Optoelectronics Technology Ministry of EducationTianjin 300071China

The first-principles calculations based on density functional theory are performed to study F-,Cl-,and N-related defects of amorphous SiO_(2)(a-SiO_(2)) and their impacts on carrier trapping and Proton release.The possible geometric configurations of the impurity-related defects,the formation energies,the hole or electron trapping of the neutral defects,and the mechanisms to suppress Proton diffusion by doping N are investigated.It is demonstrated by the calculations that the impurity atoms can interact with the oxygen vacancies and result in impurity-related defects.The reactions can be utilized to saturate oxygen vacancies that will cause ionization damage to the semiconducting devices.Moreover,the calculated formation energy indicates that the F-or Cl-related oxygen vacancy defect is a deep hole trap,which can trap holes and prevent them from diffusing to the a-SiO_(2)/Si interface.However,three N-related defects,namely N(2)o-H,N(2)o=O,and N(3)o-Vo,tend to act as shallow hole traps to facilitate hole transportation during device operation.The N(2)o and N(3)o configurations can be negatively charged as deep electron traps during the oxide charge buildup after ionization radiation.In addition,the nudged elastic band(NEB) calculations show that four N-related defects,namely N(2)o,N(2)o-H,N(2)o=O,and N(3)o are capable of capturing Protons and preventing them from diffusing to and de-passivating the interface.This research reveals the fundamental properties of the F-,Cl-,and N-related defects in amorphous silica and the details of the reactions of the carrier trapping and Proton release.The findings help to understand the microscopic mechanisms that alleviate ionization damage of semiconducting devices by doping a-SiO_(2).

关键词： first-principles calculation doping defect Proton

Theoretical investigations of collision dynamics of cytosine by low-energy (150-1000 eV) Proton impact

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Chinese Physics B 2020年第2期29卷 262-268页

作者：王志萍张丰收许雪芬钱超义 Department of Fundamental Courses Wuxi Institute of TechnologyWuxi 214121China The Key Laboratory of Beam Technology and Material Modification of Ministry of Education College of Nuclear Science and TechnologyBeijing Normal UniversityBeijing 100875China

Using a real-space real-time implementation of time-dependent density functional theory coupled to molecular dynamics(TDDFT-MD)nonadiabatically,we theoretically study both static properties and collision process of cytosine by 150-1000 eV Proton impact in the microscopic way.The calculated ground state of cytosine accords well with experiments.It is found that Proton is scattered in any case in the present study.The bond break of cytosine occurs when the energy loss of Proton is larger than 22 eV and the main dissociation pathway of cytosine is the breaks of C1N2 and N8H10.In the range of 150 eV≤Ek≤360 eV,when the incident energy of Proton increases,the excitation becomes more violent even though the interaction time is shortened.While in the range of 360 eVProton increases,indicating that the interaction time dominates mainly.We also show two typical collision reaction channels by analyzing the molecular ionization,the electronic density evolution,the energy loss of Proton,the vibration frequency and the scattering pattern detailedly.The result shows that the loss of electrons can decrease the bond lengths of C3N8 and C5N6 while increase the bond lengths of C4H11,C5H12 and C4C5 after the collision.Furthermore,it is found that the peak of the scattering angle shows a little redshift when compared to that of the loss of kinetic energy of Proton.

关键词： time-dependent density functional theory cytosine collision Proton

Effects of Proton Pump Inhibitors on the Gastrointestinal Microbiota in Gastroesophageal Reflux Disease

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Genomics, Proteomics & Bioinformatics 2019年第1期17卷 52-63页

作者： Yi-Chao Shi Shun-Tian Cai Ya-Ping Tian Hui-Jun Zhao Yan-Bing Zhang Jing Chen Rong-Rong Ren Xi Luo Li-Hua Peng Gang Sun Yun-Sheng Yang Department of Gastroenterology and Hepatology Institute of Digestive Diseases Chinese PLA General Hospital School of Medicine Nankai University Core Laboratory of the Translational Medical Center Chinese PLA General Hospital Realbio Genomics Institute

Proton pump inhibitors(PPIs) are commonly used to lessen symptoms in patients with gastroesophageal reflux disease(GERD). However, the effects of PPI therapy on the gastrointestinal microbiota in GERD patients remain unclear. We examined the association between the PPI usage and the microbiota present in gastric mucosal and fecal samples from GERD patients and healthy controls(HCs) using 16 S rRNA gene sequencing. GERD patients taking PPIs were further divided into short-term and long-term PPI user groups. We showed that PPI administration lowered the relative bacterial diversity of the gastric microbiota in GERD patients. Compared to the non-PPIuser and HC groups, higher abundances of Planococcaceae, Oxalobacteraceae, and Sphingomonadaceae were found in the gastric microbiota from the PPI-user group. In addition, the Methylophilus genus was more highly abundant in the long-term PPI user group than in the short-term PPI-user group. Despite the absence of differences in alpha diversity, there were significant differences in the fecal bacterial composition of between GERD patients taking PPIs and those not taking PPIs. There was a higher abundance of Streptococcaceae, Veillonellaceae, Acidaminococcaceae,Micrococcaceae, and Flavobacteriaceae present in the fecal microbiota from the PPI-user group than those from the non-PPI-user and HC groups. Additionally, a significantly higher abundance of Ruminococcus was found in GERD patients on long-term PPI medication than that on shortterm PPI medication. Our study indicates that PPI administration in patients with GERD has a significant effect on the abundance and structure of the gastric mucosal microbiota but only on the composition of the fecal microbiota.

关键词： Microbiota Gastroesophageal reflux disease Proton pump inhibitors Gastric mucosal Fecal

Proton pump inhibitor: The dual role in gastric cancer

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World Journal of Gastroenterology 2019年第17期25卷 2058-2070页

作者： Moon Kyung Joo Jong-Jae Park Hoon Jai Chun Division of Gastroenterology Department of Internal MedicineKorea University College of Medicine Guro Hospital Division of Gastroenterology and Hepatology Department of Internal MedicineInstitute of Digestive Disease and NutritionKorea University College of Medicine

Proton pump inhibitors(PPIs) are one of the most frequently used medications for upper gastrointestinal diseases. However, a number of physicians have raised concern about the serious side effects of long-term use of PPIs, including the development of gastric cancer. Recent epidemiological studies have reported a significant association between long-term PPI intake and the risk of gastric cancer, even after successful Helicobacter pylori eradication. However, the effects of PPIs on the development of pre-malignant conditions such as atrophic gastritis or intestinal metaplasia are not fully known, suggesting the need for comprehensive and confirmative studies are needed in the future. Meanwhile,several experimental studies have demonstrated the effects of PPIs in reducing chemoresistance in gastric cancer cells by modulating the acidic microenvironment, cancer stemness and signal transducer and activator of transcription 3(STAT3) signaling pathway. The inhibitory effects of PPIs on STAT3 activity may overcome drug resistance and enhance the efficacy of conventional or targeted chemotherapeutic agents. Taken together, PPIs may"play dual role" in gastric carcinogenesis and treatment of gastric cancer.

关键词： Proton pump inhibitor Gastric cancer Drug resistance Signal transducer and activator of transcription 3

Maintaining Proton homeostasis is an essential role of the Warburg effect in proliferating cells

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Cancer Biology & Medicine 2019年第3期16卷 391-395页

作者： Chuangzhen Yang Binghui Li Department of Biochemistry and Molecular Biology Capital Medical UniversityBeijing100069China AdvancedInnovation Center for Human Brain Protection Capital Medical UniversityBeijing100069China Beijing Key Laboratory forTumor Invasion and Metastasis Capital Medical UniversityBeijing100069China

Non-proliferating cells efficiently generate adenosine 5’-triphosphate (ATP) through mitochondrial oxidative phosphorylation.By contrast, proliferating cells, including cancer cells, tend to rely on aerobic glycolysis, an inefficient way to generate energy, and this phenomenon is termed 'the Warburg effect'1,2.However, the advantage of the Warburg effect provided for proliferating cells has been unclear3.Here we propose that aerobic glycolysis may maintain Proton homeostasis to benefit proliferating cells.

关键词： Maintaining Proton homeostasis Warburg effect proliferating cells

Optimizing Proton pump inhibitors in Helicobacter pylori treatment:Old and new tricks to improve effectiveness

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World Journal of Gastroenterology 2019年第34期25卷 5097-5104页

作者： Enzo Ierardi Giuseppe Losurdo Rosa Federica La Fortezza Mariabeatrice Principi Michele Barone Alfredo Di Leo Section of Gastroenterology Department of Emergency and Organ Transplantation University of Bari

The survival and replication cycle of Helicobacter pylori(H.pylori)is strictly dependant on intragastric pH,since H.pylori enters replicative phase at an almost neutral pH(6-7),while at acid pH(3-6)it turns into its coccoid form,which is resistant to antibiotics.On these bases,it is crucial to increase intragastric pH by Proton pump inhibitors(PPIs)when an antibiotic-based eradicating therapy needs to be administered.Therefore,several tricks need to be used to optimize eradication rate of different regimens.The administration of the highest dose as possible of PPI,by doubling or increasing the number of pills/day,has shown to be able to improve therapeutic outcome and has often proposed in rescue therapies,even if specific trials have not been performed.A pre-treatment with PPI before starting antibiotics does not seem to be effective,therefore it is discouraged.However,the choice of PPI molecule could have a certain weight,since second-generation substances(esomeprazole,rabeprazole)are likely more effective than those of first generation(omeprazole,lansoprazole).A possible explanation is due to their metabolism,which has been proven to be less dependent on cytochrome P450(CYP)2C19 genetic variables.Finally,vonoprazan,a competitive inhibitor of H+/K+-ATPase present on luminal membrane of gastric parietal cells has shown the highest efficacy,due to both its highest acid inhibition power and rapid pharmacologic effect.However current data come only from Eastern Asia,therefore its strong power needs to be confirmed outside this geographic area in Western countries as well as related to the local different antibiotic resistance rates.

关键词： Helicobacter pylori Proton pump inhibitors Eradication Cytochrome P450 Optimization

First-principles investigations of Proton generation inα-quartz

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Chinese Physics B 2018年第3期27卷 368-375页

作者：乐云亮宋宇左旭 College of Electronic Information and Optical Engineering Nankal UniversityTianjin 300071China Microsystem and Terahertz Research Center China Academy of Engineering PhysicsChengdu 610200China Institute of Electronic Engineering China Academy of Engineering PhysicsMianyang 621999China Municipal Key Laboratory of Photo-electronic Thin Film Devices and Technology Nankai UniversityTianjin 300071China

Proton plays a key role in the interface-trap formation that is one of the primary reliability concerns, thus learning how it behaves is key to understand the radiation response of microelectronic devices. The first-principles calculations have been applied to explore the defects and their reactions associated with the Proton release in a-quartz, the well-known crystalline isomer of amorphous silica. When a high concentration of molecular hydrogen （H2） is present, the Proton generation can be enhanced by cracking the He molecules at the positively charged oxygen vacancies in dimer configuration. If the concentration of molecular hydrogen is low, the Proton generation mainly depends on the Proton dissociation of the doubly- hydrogenated defects. In particular, a fully passivated E~ center can dissociate to release a Proton barrierlessly by structure relaxation once trapping a hole. This research provides a microscopic insight into the Proton release in silicon dioxide, the critical step associated with the interface-trap formation under radiation in microelectronic devices.

关键词： first-principles calculation interface trap Proton silicon dioxide