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Phenotype prediction of nonsynonymous single nucleotide polymorphisms in human phase II drug/xenobiotic metabolizing enzymes: perspectives on molecular evolution

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Science China(Life Sciences) 2010年第10期53卷 1252-1262页

作者： HAO DaCheng XIAO PeiGen CHEN shilin Laboratory of Biotechnology College of EnvironmentDalian Jiaotong UniversityDalian 116028China Institute of Medicinal Plant Development Chinese Academy of Medical Sciences and Peking Union Medical CollegeBeijing 100193China

Nonsynonymous single nucleotide polymorphisms (nsSNPs) in coding regions can lead to amino acid changes that might alter the protein’s function and account for susceptibility to disease and altered drug/xenobiotic response. Many nsSNPs have been found in genes encoding human phase II metabolizing enzymes; however, there is little known about the relationship between the genotype and phenotype of nsSNPs in these enzymes. We have identified 923 validated nsSNPs in 104 human phase II enzyme genes from the Ensembl genome database and the NCBI SNP database. Using PolyPhen, Panther, and SNAP algorithms, 44%?59% of nsSNPs in phase II enzyme genes were predicted to have functional impacts on protein function. Predictions largely agree with the available experimental annotations. 68% of deleterious nsSNPs were correctly predicted as damaging. This study also identified many amino acids that are likely to be functionally critical, but have not yet been studied experimentally. There was significant concordance between the predicted results of Panther and PolyPhen, and between SNAP non-neutral predictions and PolyPhen scores. Evolutionarily non-neutral (destabilizing) amino acid substitutions are thought to be the pathogenetic basis for the alteration of phase II enzyme activity and to be associated with disease susceptibility and drug/xenobiotic toxicity. Furthermore, the molecular evolutionary patterns of phase II enzymes were characterized with regards to the predicted deleterious nsSNPs.

关键词： phenotype PolyPhen Panther SNAP SNP phase II drug/xenobiotic metabolizing enzyme

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Au nanoring arrays with tunable morphological features and plasmonic resonances

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Nano Research 2021年第12期14卷 4674-4679页

作者： shilin Mu Hongxu Chen Chenyu Shi Junhu Zhang Bai Yang State Key Laboratory of Supramolecular Structure and Materials College of ChemistryJilin UniversityChangchun130012China College of Material and Textile Engineering Jiaxing UniversityJiaxing314001China

Gold nanoring arrays are widely applied in various fields benefitting from their localized surface plasmon resonance(LSPR)properties.A key advantage of gold nanoring arrays is that the dipole resonance peak can be systematically tuned by changing the dimensions of gold nanoring ***,most of the currently reported methods for preparing gold nanoring arrays cannot conveniently control the heights of the nanorings at a low *** we introduce a facile method for preparing gold nanoring arrays with tunable plasmonic resonances using colloidal *** dimensions of the nanorings including diameters,lattice constants,even the heights of the nanorings can be conveniently *** transform near-infrared(FT-NIR)absorption spectroscopy was used to obtain the plasmonic resonance spectra of the nanoring *** the prepared gold nanoring arrays exhibited a strong NIR or infrared(IR)plasmonic resonance which can be tuned by varying the nanoring *** versatile method can also be used to fabricate other types of plasmonic nanostructures,such as gold nanocone *** obtained gold nanoring arrays as well as nanocone arrays may have potential applications in surface-enhanced spectroscopy or plasmonic sensing.

关键词： gold nanoring arrays plasmonic resonance colloidal lithography self-assembly metal nanostructure arrays

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Estimation of unfrozen water content of saturated sandstones using nuclear magnetic resonance, mercury intrusion porosimetry, and ultrasonic tests

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Journal of Rock Mechanics and Geotechnical Engineering 2024年第9期16卷 3465-3484页

作者： Fei Liu Shibing Huang Gang Liu shilin Yu School of Resources and Environmental Engineering Wuhan University of Science and TechnologyWuhan430081China Hubei Key Laboratory for Efficient Utilization and Agglomeration of Metallurgic Mineral Resources Wuhan University of Science and TechnologyWuhan430081China

The unfrozenwater content(UWC)is a crucial parameter that affects the strength and thermal properties of rocks in relation to engineering construction and geological disasters in cold *** this study,three different methods were employed to test and estimate the UWC of saturated sandstones,including nuclear magnetic resonance(NMR),mercury intrusion porosimetry(MIP),and ultrasonic *** NMR method enabled the direct measurement of the UWC of sandstones using the free induction decay(FID).The MIP method was used to analyze the pore structures of sandstones,with the UWC subsequently calculated based on pore ice ***,the MIP test constituted an indirect measurement ***,a correlation was established between the P-wave velocity and the UWC of these sandstones based on the mixture theory,which could be employed to estimate the UWC as an empirical *** methods demonstrated that the UWC initially exhibited a rapid decrease from 0C to5C and then generally became constant beyond20***,these test methods had different *** NMR method was used to directly and accurately calculate the UWC in the ***,the cost and complexity of NMR equipment have precluded its use in the *** UWC can be effectively estimated by the MIP test,but the estimation accuracy is influenced by the ice crystallization process and the pore size *** P-wave velocity has been demonstrated to be a straightforward and practical empirical parameter and was utilized to estimate the UWC based on the mixture *** method may be more suitable in the *** methods confirmed the existence of a hysteresis phenomenon in the freezing-thawing *** average hysteresis coefficient was approximately 0.538,thus validating the GibbseThomson *** study not only presents alternative methodologies for estimating the UWC of saturated sandstones but also contribute to our understanding of the freezin

关键词： Unfrozen water content(UWC) Nuclear magnetic resonance(NMR) Mercury intrusion porosimetry(MIP) Pore structures P-wave velocity Sandstone

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Chemical Activation of S/Li_(2)S in Li-S Batteries by a Bidirectional Organic Redox Mediator

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Chemical Research in Chinese Universities 2024年第5期40卷 927-934页

作者： LI Chengqiu ZHOU Chaoyong MEI shilin YAO Changjiang State Key Laboratory of Explosion Science and Safety Protection School of Mechatronical EngineeringBeijing Institute of TechnologyBeijing100081P.R.China Xi’an Safty Energy Technology Co. Ltd.Xi’an710299P.R.China

The energy density and lifespan of prototype Li-S batteries under high sulfur loading and lean electrolyte have been mainly restricted by the incomplete interconversion between insulating S8 and *** introduction of an electrocatalyst has been preserved as an effective way to breakthrough the bottleneck of the interconversion ***,we demonstrate a novel bidirectional redox mediator,insoluble dithiobisphthalimide(DTPI),as the electrocatalyst for both S8 reduction and Li2S *** to the dual-functional role of both electron/Li^(+)donor and acceptor,DTPI can efficiently accelerate the redox reactions during charge/discharge and significantly alleviate the incomplete conversion of sulfur ***,the Li-S batteries with DTPI deliver superior specific capacity and cycling stability in comparison with those without ***,the redox mediator is scalable for synthesis and the DTPI-based 5 A·h pouch cell delivers a specific discharge capacity of around 870 mA·h·g^(−1) at 0.1 C(1 C=1675 mA/g)without capacity fading over 80 *** bidirectional catalysis mechanism has been studied through theoretical calculation and ex-situ characterization of the cathode *** work approves the effectiveness of bidirectional organic redox mediator in the construction of practical Li-S batteries.

关键词： Lithium-sulfur battery(LSB) Dithiobisphthalimide(DTPI) Organic redox mediator Interconversion

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Biosynthetic pathway of terpenoid indole alkaloids in Catharanthus roseus

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Frontiers of Medicine 2014年第3期8卷 285-293页

作者： Xiaoxuan Zhu Xinyi Zeng Chao Sun shilin Chen Institute of Medicinal Plant Development China Academy of Medical Sciences & Peking Union Medical College Beijing 100193 China Institute of Chinese Materia Medica China Academy of-Chinese Medical Sciences Beijing 100700 China

Catharanthus roseus is one of the most extensively investigated medicinal plants, which can produce more than 130 alkaloids, including the powerful antitumor drugs vinblastine and vincristine. Here we review the recent advances in the biosynthetic pathway of terpenoid indole alkaloids （TIAs） in C. roseus, and the identification and characterization of the corresponding enzymes involved in this pathway. Strictosidine is the central intermediate in the biosynthesis of different TIAs, which is formed by the condensation of secologanin and tryptamine. Secologanin is derived from terpenoid （isoprenoid） biosynthetic pathway, while tryptamine is derived from indole biosynthetic pathway. Then various specific end products are produced by different routes during downstream process. Although many genes and corresponding enzymes have been characterized in this pathway, our knowledge on the whole TIA biosynthetic pathway still remains largely unknown up to date. Full elucidation of TIA biosynthetic pathway is an important prerequisite to understand the regulation of the TIA biosynthesis in the medicinal plant and to produce valuable TIAs by synthetic biological technology.

关键词： Catharanthus roseus terpenoidindole alkaloids biosynthetic pathway vinblastine vincristine

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Nanocomposite Membranes based on Perfl uorosulfonic Acid/Ceramic for Proton Exchange Membrane Fuel Cells

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Journal of Wuhan University of Technology(Materials Science) 2015年第6期30卷 1125-1129页

作者：李琼 WANG Guangjin YE Hong YAN shilin School of Science Wuhan University of Technology School of Materials Science and Engineering Wuhan Textile University College of Chemistry and Materials Science Hubei Engineering University School of Transportation Engineering Wuhan Technical College of Communications

Perfl uorosulfonic acid/ceramic nanocomposite membranes were investigated as electrolytes for polymer electrolyte membrane fuel cell applications under low relative humidity. Different nanosized ceramics（SiO2, ZrO2, TiO2） with diameters in the range of 2-6 nm were synthesized in situ in Nafion solution through a sol-gel process and the formed nanosized ceramics were well-dispersed in the *** nanocomposite membranes were formed through a casting process. The nanocomposite membrane showes enhanced water retention ability and improved proton conductivity compared to those of pure Nafi on membrane. The mechanical strength of the formed nanocomposite membranes is slightly less than that of pure Nafi on membrane. The experimental results demonstrate that the polymer ceramic nanocompsite membranes are potential electrolyte for fuel cells operating at elevated temperature.

关键词： proton exchange membrane ceramic sol-gel process ionic conductivity

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Impact Performance Research of Re-Entrant Octagonal Negative Poisson’s Ratio Honeycomb with Gradient Design

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Computer Modeling in Engineering & Sciences 2024年第9期140卷 3105-3119页

作者： Yiyuan Li Yongjing Li shilin Yan Pin Wen Department of Engineering Structure and Mechanics Wuhan University of TechnologyWuhan430070China Hubei Key Laboratory of Theory and Application of Advanced Materials Mechanics School of ScienceWuhan University of TechnologyWuhan430070China

Based on the traditional re-entrant honeycomb,a novel re-entrant octagon honeycomb(ROH)is *** deformation mode of the honeycomb under quasi-static compression is analyzed by numerical simulation,and the results are in good agreement with the experimental *** deformation modes,mechanical properties,and energy absorption characteristics of ROH along the impact and perpendicular directions gradient design are investigated under different *** results indicated that the deformation mode of ROH is affected by gradient design along the direction of impact and impact *** addition,gradient design along the direction of impact can increase the initial peak stress of ROH and accelerate its densification *** design perpendicular to the impact direction can enhance the energy absorption performance of ROH,especially for ROH,with wall thickness increasing from the inside *** to ROH with uniform wall thickness at the same relative density,ROH with a gradient design can increase the plateau stress by over *** the elevation of impact velocity,the plateau stress and specific energy absorption exhibit an upward trend,aligning with the dynamic performance pattern observed in conventional *** results can be used as a reference for the design and application of honeycomb and provide a new idea for developing more efficient and reliable energy-absorbing materials.

关键词： Re-entrant honeycomb gradient design finite element analysis additive manufacturing technologies

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Development of a potent benzonitrile-based inhibitor of glutaminyl-peptide cyclotransferase-like protein(QPCTL)with antitumor efficacy

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Signal Transduction and Targeted Therapy 2024年第1期9卷 44-46页

作者： Lei Yu Pengcheng Zhao Yaoliang Sun Zening Zheng Wenhao du Lishan Zhang Yaxu Li Longyan Xie shilin Xu Ping Wang Tongji University Cancer Center Shanghai Tenth People’s HospitalSchool of MedicineTongji UniversityShanghaiChina Department of Medicinal Chemistry Shanghai Institute of Materia MedicaChinese Academy of SciencesShanghaiChina

Dear Editor,Immune checkpoint therapies manipulating the immune system to eliminate tumor cells have shown remarkable clinical efficacy in treating various ***47,an emerging efficient immune checkpoint,is crucial for cancer cells to evade macrophagemediated phagocytosis by interaction with signal-regulatory proteinα(SIRPα).Antibodies blocking the CD47/SIRPαinteraction have been effective to promote macrophage-mediated phagocytosis in various types of cancer in mice and ***47 is not only highly expressed in tumor cells,but also normal cells,such as red blood cells(RBCs).Thus,during clinical trials involving cancer patients,anti-CD47 antibodies may promote the macrophagesmediated phagocytosis of RBCs,ultimately inducing undesirable anemia side *** contrast,small molecule inhibitors interrupting CD47/SIRPαaxis have shown potential to overcome the anemia,possibly due to their lower immunogenicity and shorter half-life compared to antibodies.1 Hence,developing the novel strategies,especially those without the anemia side effect,to intervene in CD47/SIRPαinteraction will benefit cancer immunotherapy.

关键词： anemia overcome eliminate

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Effects of Pendular Waist on Gecko＇s Climbing： Dynamic Gait, Analytical Model and Bio-inspired Robot

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Journal of Bionic Engineering 2017年第2期14卷 191-201页

作者： Wei Wang Xuepeng Li shilin Wu Peihua Zhu Fei Zhao Robotics Institute Beihang University Beijing 100191 China CRRC Qingdao Sifang Co. Ltd. Qingdao 266111 China

Most quadruped reptiles, such as lizards, salamanders and crocodiles, swing their waists while climbing on horizontal or vertical surfaces. Accompanied by body movement, the centroid trajectory also becomes more of a zigzag path rather than a straight line. Inspired by gecko＇s gait and posture on a vertical surface, a gecko inspired model with one pendular waist and four active axil legs, which is called GPL model, is proposed. Relationship between the waist position, dynamic gait, and driving forces on supporting feet is analyzed. As for waist trajectory planning, a singular line between the supporting feet is found and its effects on driving forces are discussed. Based on the GPL model, it is found that a sinusoidal waist trajectory, rather than a straight line, makes the driving forces on the supporting legs smaller. Also, a waist close to the pygal can reduce the driving forces compared to the one near middle vertebration, which is in accord with gecko＇s body bending in the process of climbing. The principles of configuration design and gait planning are proposed based on theoretical analyses. Finally, a bio-inspired robot DracoBot is developed and both of the driving force measurements and climbing experiments reinforce theoretical analysis and the rationality of gecko＇s dynamic gait.

关键词： multi-legged robot wall-climbing robot dynamic gait pendular waist GPL model

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Structural transformations of carboxyl acids networks induced by concentration and oriented external electric field

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Chinese Chemical Letters 2021年第1期32卷 480-484页

作者： Wei Li shilin Xu Xiaoling Chen Chengyong Xu School of Science Nanchang Institute of TechnologyNanchang 330099China

The effects of concentration and an oriented external electric field on the transformations of hydrogenbonded structures of trimesic acid(TMA) and terephthalic acid(TPA) have been investigated at a liquidsolid interface by scanning tunneling microscopy(STM).The triangular periodic TMA framework can be transformed into a flower-like structure by changing the STM sample bias sign in *** of TMA and TPA are porous at a negative substrate bias,but typically change to relatively compact forms when the polarity of the applied bias is *** change is reversible if the applied bias is *** effects have potentials to locally control the capture and release of analytes in host-guest systems and the 2D morphology in multicomponent layers.

关键词： Concentration Electric field Structural transformation Scanning tunneling microscopy

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