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Molecular dynamic simulation on the conformation of mouse muscle type nAChR

Shengai SUN, Rilei YU, Yanhui ZHANG, Yanni LI,

Frontiers of Chemical Science and Engineering 2010, Volume 4, Issue 3,   Pages 348-352 doi: 10.1007/s11705-009-0284-4

Abstract: A mouse muscle type nAChR model ((α1)βδγ) was built based on the cryoelectron microscopicThe conformation of the pentameric nAChR model was investigated by molecular dynamic simulation.

Keywords： pentameric     hydrophilic     Tyr127     cryoelectron microscopic     conformation    

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Molecular network-based intervention brings us closer to ending the HIV pandemic

Xiaoxu Han, Bin Zhao, Minghui An, Ping Zhong, Hong Shang

Frontiers of Medicine 2020, Volume 14, Issue 2,   Pages 136-148 doi: 10.1007/s11684-020-0756-y

Abstract: HIV molecular networks can be determined by phylogenetic approach, genetic distance-based approach, andSimulation and retrospective studies have demonstrated that these molecular network-based interventionsHowever, we still need to address several challenges to improve the practice of molecular network-guidedIn addition, molecular and social networks must be combined, and technical parameters and ethnic issues

Keywords： human immunodeficiency virus type 1     molecular cluster     transmission cluster     risk network     targeted intervention    

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Molecular epidemiology of Cryptococcus neoformans species complex isolates from HIV-positive and HIV-negative

Min CHEN MM, Wei-Hua PAN MD, Wan-Qing LIAO MM, Xiao-Ran LI BS, Bi-Wei FENG BS, Zhe-Xue QUAN PhD, Shao-Xi WU MD, Xiao-Ping TANG MD, Zhi-Rong YAO MD,

Frontiers of Medicine 2010, Volume 4, Issue 1,   Pages 117-126 doi: 10.1007/s11684-010-0011-z

Abstract: This study investigated the molecular types of the species complex isolates and their clinical manifestationsThe molecular types of 109 isolates from 108 patients were analyzed by the PCR fingerprinting method,In HIV-positive patients, clinical isolates were grouped into molecular types VNI (75%, 15/20), VNIIIn HIV-negative patients, the majority of the clinical isolates were grouped into molecular types VNIIn reference to the mating type of the isolates, 97% (106/109) were of the α, 2% (2/109) were of

Keywords： Cryptococcus neoformans     Cryptococcus gattii     cryptococcosis     molecular epidemiology     molecular type     matingtype    

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New practice in semaglutide on type-2 diabetes and obesity: clinical evidence and expectation

Frontiers of Medicine 2022, Volume 16, Issue 1,   Pages 17-24 doi: 10.1007/s11684-021-0873-2

Abstract: Obesity is an important risk factor of type 2 diabetes (T2D), which has become an important factor threatening

Keywords： semaglutide     type 2 diabetes     obesity    

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Special issue on “Molecular Sensors and Molecular Logic Gates”

Luling Wu , Tony D. James

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 1,   Pages 1-3 doi: 10.1007/s11705-021-2134-y

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Design of bio-oil additives via molecular signature descriptors using a multi-stage computer-aided molecular

Frontiers of Chemical Science and Engineering 2022, Volume 16, Issue 2,   Pages 168-182 doi: 10.1007/s11705-021-2056-8

Abstract: In this work, computer-aided molecular design tools were developed to design optimal solvents to upgradeAs different property prediction models consist different levels of structural information, molecularDue to the combinatorial nature of higher-order signatures, the complexity of a computer-aided molecular

Keywords： computer-aided molecular design     bio-oil additives     molecular signature descriptor    

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Progress on molecular biomarkers and classification of malignant gliomas

Chuanbao Zhang, Zhaoshi Bao, Wei Zhang, Tao Jiang

Frontiers of Medicine 2013, Volume 7, Issue 2,   Pages 150-156 doi: 10.1007/s11684-013-0267-1

Abstract: Great efforts have been made to incorporate new information about the molecular landscape of gliomas

Keywords： malignant glioma     molecular biomarker     IDH1     MGMT     molecular classification    

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Molecular classification and molecular targeted therapy of cancer

Miao Xu, Jianyong Shao, Yixin Zeng

Frontiers of Medicine 2013, Volume 7, Issue 2,   Pages 147-149 doi: 10.1007/s11684-013-0274-2

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Catalytic oxidation of carbon monoxide, toluene, and ethyl acetate over the

Zhidan Fu, Lisha Liu, Yong Song, Qing Ye, Shuiyuan Cheng, Tianfang Kang, Hongxing Dai

Frontiers of Chemical Science and Engineering 2017, Volume 11, Issue 2,   Pages 185-196 doi: 10.1007/s11705-017-1631-5

Abstract: The Pd catalyst supported on cryptomelane-type manganese oxide octahedral molecular sieve (OMS-2) were

Keywords： cryptomelane-type manganese oxide octahedral molecular sieve     oxygen mobility     reducibility     carbon monoxide    

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Advances in Molecular Electronics: A Brief Review Review

Paven Thomas Mathew, Fengzhou Fang

Engineering 2018, Volume 4, Issue 6,   Pages 760-771 doi: 10.1016/j.eng.2018.11.001

Abstract:

The field of molecular electronics, also known as moletronics, deals with the assembly of molecularNovel research has been performed in developing electrical-equivalent molecular components.Since there is a need to reduce the size of the silicon chip, attaining such technology at the molecularAlthough the experimental verification and modeling of molecular devices present a daunting task, vitalThis article combines an overview of various molecular components, such as molecular transistors, diodes

Keywords： Moletronics     Molecular transistor     Molecular diode     Molecular capacitor     Molecular wire     Graphene    

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Molecular size characterization of heavy oil fractions in vacuum and solution by molecular dynamic simulation

Wenpo REN, Honggang CHEN, Chaohe YANG, Honghong SHAN,

Frontiers of Chemical Science and Engineering 2010, Volume 4, Issue 3,   Pages 250-256 doi: 10.1007/s11705-009-0281-7

Abstract: According to the elemental analysis, molecular weight and H-NMR data, average molecular structures ofconformations of polycyclic aromatic and heavy resin in vacuum and toluene solution were obtained by moleculardynamic simulation, and the molecular size was gotten via the radius of gyration analysis.With molecular weight increasing, the molecular size in vacuum and toluene solution also increased.Thus, the molecular size in toluene solution was larger than that in vacuum.

Keywords： dynamic simulation     molecular dynamic     behavior     molecule     Adsorption Chromatography    

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Personalized medicine of type 2 diabetes

Weiping Jia

Frontiers of Medicine 2013, Volume 7, Issue 1,   Pages 1-3 doi: 10.1007/s11684-013-0241-y

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Effect of / molecular structures on pyrolysis performance and heat sink of decalin isomers

Frontiers of Chemical Science and Engineering 2023, Volume 18, Issue 1, doi: 10.1007/s11705-023-2375-z

Abstract: Decalin is considered as an important compound of high-energy-density endothermic fuel, which is an ideal on-board coolant for thermal management of advanced aircraft. However, decalin contains two isomers with a tunable composition, and their effects on the pyrolysis performance, such as the heat sink and coking tendency have not been demonstrated. Herein, we investigated the pyrolysis of decalin isomers, i.e., cis-decalin, trans-decalin and their mixtures (denoted as mix-decalin), in order to clarify the effects of the cis-/trans-structures on the pyrolysis performance of decalin fuels. The pyrolysis results confirmed that conversion of the tested fuels (600–725 °C, 4 MPa) decreased in the order cis-decalin > mix-decalin > trans-decalin. Detailed analyses of the pyrolysis products were used to compare the product distributions from cis-decalin, mix-decalin and trans-decalin, and the yields of some typical components (such as cyclohexene, 1-methylcyclohexene, benzene and toluene) showed significant differences, which could be ascribed to deeper cracking of cis-decalin. Additionally, the heat sinks and coking tendencies of the decalins decreased in the order cis-decalin > mix-decalin > trans-decalin. This work demonstrates the relationship between the cis/trans structures and the pyrolysis performance of decalin, which provides a better understanding of the structure-activity relationships of endothermic hydrocarbon fuels.

Keywords： endothermic fuel     decalin     pyrolysis     heat sink     molecular structure    

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Enhanced separation of tetrafluoropropanol from water via carbon nanotubes membranes: insights from molecular

Frontiers of Environmental Science & Engineering 2023, Volume 17, Issue 11, doi: 10.1007/s11783-023-1740-y

Abstract:

● MD simulations unveil the transport mechanism for TFP-water mixture through CNTs.

Keywords： Fluorinated alcohol     Carbon nanotube     Molecular simulation     Fluorine modified    

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Effect of ligand chain length on hydrophobic charge induction chromatography revealed by molecular dynamics

Lin ZHANG, Yan SUN

Frontiers of Chemical Science and Engineering 2013, Volume 7, Issue 4,   Pages 456-463 doi: 10.1007/s11705-013-1357-y

Abstract: adsorption, desorption, and conformational transition of the proteins with CL2 and CL4 were examined using molecular

Keywords： adsorption     desorption     irreversibility     protein conformational transition     molecular dynamics simulation    

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Title Author Date Type Operation

Molecular dynamic simulation on the conformation of mouse muscle type nAChR

Shengai SUN, Rilei YU, Yanhui ZHANG, Yanni LI,

Journal Article

Molecular network-based intervention brings us closer to ending the HIV pandemic

Xiaoxu Han, Bin Zhao, Minghui An, Ping Zhong, Hong Shang

Journal Article

Molecular epidemiology of Cryptococcus neoformans species complex isolates from HIV-positive and HIV-negative

Min CHEN MM, Wei-Hua PAN MD, Wan-Qing LIAO MM, Xiao-Ran LI BS, Bi-Wei FENG BS, Zhe-Xue QUAN PhD, Shao-Xi WU MD, Xiao-Ping TANG MD, Zhi-Rong YAO MD,

Journal Article

New practice in semaglutide on type-2 diabetes and obesity: clinical evidence and expectation

Journal Article

Special issue on “Molecular Sensors and Molecular Logic Gates”

Luling Wu , Tony D. James

Journal Article

Design of bio-oil additives via molecular signature descriptors using a multi-stage computer-aided molecular

Journal Article

Progress on molecular biomarkers and classification of malignant gliomas

Chuanbao Zhang, Zhaoshi Bao, Wei Zhang, Tao Jiang

Journal Article

Molecular classification and molecular targeted therapy of cancer

Miao Xu, Jianyong Shao, Yixin Zeng

Journal Article

Catalytic oxidation of carbon monoxide, toluene, and ethyl acetate over the

Zhidan Fu, Lisha Liu, Yong Song, Qing Ye, Shuiyuan Cheng, Tianfang Kang, Hongxing Dai

Journal Article

Advances in Molecular Electronics: A Brief Review

Paven Thomas Mathew, Fengzhou Fang

Journal Article

Molecular size characterization of heavy oil fractions in vacuum and solution by molecular dynamic simulation

Wenpo REN, Honggang CHEN, Chaohe YANG, Honghong SHAN,

Journal Article

Personalized medicine of type 2 diabetes

Weiping Jia

Journal Article

Effect of / molecular structures on pyrolysis performance and heat sink of decalin isomers

Journal Article

Enhanced separation of tetrafluoropropanol from water via carbon nanotubes membranes: insights from molecular

Journal Article

Effect of ligand chain length on hydrophobic charge induction chromatography revealed by molecular dynamics

Lin ZHANG, Yan SUN

Journal Article