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  1. Article ; Online: The "Hand as Foot" teaching method in the classification of thoracoabdominal aortic aneurysm and aortic dissection.

    Li, Pengfei / Zhang, Xuejuan

    Asian journal of surgery

    2024  

    Language English
    Publishing date 2024-02-20
    Publishing country Netherlands
    Document type Letter
    ZDB-ID 1068461-x
    ISSN 0219-3108 ; 1015-9584
    ISSN (online) 0219-3108
    ISSN 1015-9584
    DOI 10.1016/j.asjsur.2024.02.051
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article ; Online: Correction to "Redesigning Natural Materials for Energy, Water, Environment, and Devices".

    Liu, Xiaojie / Zhu, Wenkai / Deng, Pengfei / Li, Tian

    ACS nano

    2024  Volume 18, Issue 3, Page(s) 2531

    Language English
    Publishing date 2024-01-10
    Publishing country United States
    Document type Published Erratum
    ISSN 1936-086X
    ISSN (online) 1936-086X
    DOI 10.1021/acsnano.3c12324
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  3. Article ; Online: Full collision energy ramp-pseudo-multistage mass spectrometry facilitates aglycone identification for glycosides.

    Li, Wenzheng / Shi, Jingjing / Liu, Wenjing / Tu, Pengfei

    Rapid communications in mass spectrometry : RCM

    2024  Volume 38, Issue 10, Page(s) e9735

    Language English
    Publishing date 2024-03-18
    Publishing country England
    Document type Letter
    ZDB-ID 58731-x
    ISSN 1097-0231 ; 0951-4198
    ISSN (online) 1097-0231
    ISSN 0951-4198
    DOI 10.1002/rcm.9735
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  4. Article ; Online: Myofascial treatment technique combined with functional exercise in lower extremity sports injury rehabilitation.

    Xiao, Nan / Li, Pengfei

    Minerva medica

    2023  

    Language English
    Publishing date 2023-11-21
    Publishing country Italy
    Document type Journal Article
    ZDB-ID 123586-2
    ISSN 1827-1669 ; 0026-4806
    ISSN (online) 1827-1669
    ISSN 0026-4806
    DOI 10.23736/S0026-4806.23.08954-1
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  5. Article ; Online: Bridging the 12-6-4 Model and the Fluctuating Charge Model

    Pengfei Li

    Frontiers in Chemistry, Vol

    2021  Volume 9

    Abstract: Metal ions play important roles in various biological systems. Molecular dynamics (MD) using classical force field has become a popular research tool to study biological systems at the atomic level. However, meaningful MD simulations require reliable ... ...

    Abstract Metal ions play important roles in various biological systems. Molecular dynamics (MD) using classical force field has become a popular research tool to study biological systems at the atomic level. However, meaningful MD simulations require reliable models and parameters. Previously we showed that the 12-6 Lennard-Jones nonbonded model for ions could not reproduce the experimental hydration free energy (HFE) and ion-oxygen distance (IOD) values simultaneously when ion has a charge of +2 or higher. We discussed that this deficiency arises from the overlook of the ion-induced dipole interaction in the 12-6 model, and this term is proportional to 1/r4 based on theory. Hence, we developed the 12-6-4 model and showed it could solve this deficiency in a physically meaningful way. However, our previous research also found that the 12-6-4 model overestimated the coordination numbers (CNs) for some highly charged metal ions. And we attributed this artifact to that the current 12-6-4 scheme lacks a correction for the interactions among the first solvation shell water molecules. In the present study, we considered the ion-included dipole interaction by using the 12-6 model with adjusting the atomic charges of the first solvation shell water molecules. This strategy not only considers the ion-induced dipole interaction between ion and the first solvation shell water molecules but also well accounts for the increased repulsion among these water molecules compared to the bulk water molecules. We showed this strategy could well reproduce the experimental HFE and IOD values for Mg2+, Zn2+, Al3+, Fe3+, and In3+ and solve the CN overestimation issue of the 12-6-4 model for Fe3+ and In3+. Moreover, our simulation results showed good agreement with previous ab initio MD simulations. In addition, we derived the physical relationship between the C4 parameter and induced dipole moment, which agreed well with our simulation results. Finally, we discussed the implications of the present work for simulating metalloproteins. Due to the ...
    Keywords metal ion ; force field ; molecular dynamics ; 12-6-4 ; fluctuating charge model ; ion-induced dipole interaction ; Chemistry ; QD1-999
    Subject code 541
    Language English
    Publishing date 2021-07-01T00:00:00Z
    Publisher Frontiers Media S.A.
    Document type Article ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  6. Article ; Online: Application of MXene-Based Materials for Cathode in Lithium-Sulfur Batteries.

    Geng, Xianwei / Yang, Li / Song, Pengfei

    Chemistry (Weinheim an der Bergstrasse, Germany)

    2024  Volume 30, Issue 13, Page(s) e202303451

    Abstract: The lithium-sulfur (Li-S) batteries have a high theoretical specific capacity of 1675 mAh ⋅ g ...

    Abstract The lithium-sulfur (Li-S) batteries have a high theoretical specific capacity of 1675 mAh ⋅ g
    Language English
    Publishing date 2024-01-10
    Publishing country Germany
    Document type Journal Article ; Review
    ZDB-ID 1478547-X
    ISSN 1521-3765 ; 0947-6539
    ISSN (online) 1521-3765
    ISSN 0947-6539
    DOI 10.1002/chem.202303451
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  7. Article ; Online: Glycan-specific molecularly imprinted polymers towards cancer diagnostics: merits, applications, and future perspectives.

    Li, Pengfei / Liu, Zhen

    Chemical Society reviews

    2024  Volume 53, Issue 4, Page(s) 1870–1891

    Abstract: Aberrant glycans are a hallmark of cancer states. Notably, emerging evidence has demonstrated that the diagnosis of cancers with tumour-specific glycan patterns holds great potential to address unmet medical needs, especially in improving diagnostic ... ...

    Abstract Aberrant glycans are a hallmark of cancer states. Notably, emerging evidence has demonstrated that the diagnosis of cancers with tumour-specific glycan patterns holds great potential to address unmet medical needs, especially in improving diagnostic sensitivity and selectivity. However, despite vast glycans having been identified as potent markers, glycan-based diagnostic methods remain largely limited in clinical practice. There are several reasons that prevent them from reaching the market, and the lack of anti-glycan antibodies is one of the most challenging hurdles. With the increasing need for accelerating the translational process, numerous efforts have been made to find antibody alternatives, such as lectins, boronic acids and aptamers. However, issues concerning affinity, selectivity, stability and versatility are yet to be fully addressed. Molecularly imprinted polymers (MIPs), synthetic antibody mimics with tailored cavities for target molecules, hold the potential to revolutionize this dismal progress. MIPs can bind a wide range of glycan markers, even those without specific antibodies. This capacity effectively broadens the clinical applicability of glycan-based diagnostics. Additionally, glycoform-resolved diagnosis can also be achieved through customization of MIPs, allowing for more precise diagnostic applications. In this review, we intent to introduce the current status of glycans as potential biomarkers and critically evaluate the challenges that hinder the development of
    MeSH term(s) Molecularly Imprinted Polymers ; Molecular Imprinting/methods ; Lectins/metabolism ; Biomarkers ; Antibodies ; Polysaccharides ; Neoplasms/diagnosis
    Chemical Substances Molecularly Imprinted Polymers ; Lectins ; Biomarkers ; Antibodies ; Polysaccharides
    Language English
    Publishing date 2024-02-19
    Publishing country England
    Document type Journal Article ; Review
    ZDB-ID 1472875-8
    ISSN 1460-4744 ; 0306-0012
    ISSN (online) 1460-4744
    ISSN 0306-0012
    DOI 10.1039/d3cs00842h
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  8. Article ; Online: Development of a Fluctuating Charge Model for Zinc-Containing Metalloproteins.

    Landry, Luke / Li, Pengfei

    Journal of chemical information and modeling

    2024  Volume 64, Issue 3, Page(s) 812–824

    Abstract: Metalloproteins widely exist in biology and play important roles in various processes. To accurately simulate metalloprotein systems, modeling polarization and charge transfer effects is vital. The fluctuating charge (FQ) model can efficiently generate ... ...

    Abstract Metalloproteins widely exist in biology and play important roles in various processes. To accurately simulate metalloprotein systems, modeling polarization and charge transfer effects is vital. The fluctuating charge (FQ) model can efficiently generate atomic charges and simulate the charge transfer effect; it has been developed for a wide range of applications, but few models have been specifically tailored for metalloproteins. In this study, we present a fluctuating charge model specifically for zinc-containing metalloproteins based on the extended charge equilibration (EQeq) scheme. Our model was parametrized to reproduce CM5 charges instead of RESP/CHELPG charges because the former is less dependent on the conformation or basis set, does not suffer from unphysical charges for buried atoms, and is still being able to well reproduce the molecular dipoles. During our study, we found that adding the Pauling-bond-order-like term (referred to as the "+C term" in a previous study) between the zinc ion and ligating atoms significantly improves the model's performance. Although our model was trained for four-coordinated zinc sites only, our results indicated it can well describe the atomic charges in diverse zinc sites. Morever, our model was used to generate partial charges for the metal sites in three different zinc-containing metalloproteins (with four-, five-, and six-coordinated metal sites, respectively). These charges exhibited performance comparable to that of the RESP charges in molecular dynamics (MD) simulations. Additional tests indicated our model could also well reproduce the CM5 charges when geometric changes were involved. Those results indicate that our model can efficiently calculate the atomic charges for metal sites and well simulate the charge transfer effect, which marks an important step toward developing versatile polarizable force fields for metalloproteins.
    MeSH term(s) Zinc ; Metalloproteins/metabolism ; Metals ; Molecular Dynamics Simulation ; Molecular Conformation
    Chemical Substances Zinc (J41CSQ7QDS) ; Metalloproteins ; Metals
    Language English
    Publishing date 2024-01-10
    Publishing country United States
    Document type Journal Article
    ZDB-ID 190019-5
    ISSN 1549-960X ; 0095-2338
    ISSN (online) 1549-960X
    ISSN 0095-2338
    DOI 10.1021/acs.jcim.3c01815
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  9. Article ; Online: Recovery of Zn and Cu from municipal solid waste incineration fly ash by integrating ammonium leaching and ammonia removal.

    Li, Pengfei / Shimaoka, Takayuki

    Waste management (New York, N.Y.)

    2024  Volume 178, Page(s) 115–125

    Abstract: This study introduces an environmentally friendly process for recovering zinc (Zn) and copper (Cu) from municipal solid waste incineration (MSWI) fly ash using ammonium chloride leaching and ammonia removal. The leaching rates for Zn and Cu were 54.39% ... ...

    Abstract This study introduces an environmentally friendly process for recovering zinc (Zn) and copper (Cu) from municipal solid waste incineration (MSWI) fly ash using ammonium chloride leaching and ammonia removal. The leaching rates for Zn and Cu were 54.39% and 86.23%, respectively, with total recovery rates reaching 52.21% and 85.28%, respectively. The recovered precipitate demonstrated significant Zn (33.62%) and Cu (14.19%) contents, making it ideal for metal smelting. The ammonium leaching process also showcased effective reduction and dechlorination effects on the fly ash. The treated fly ash had a reduced mass of only 30.63% of the original, and chlorine content decreased from 26.23% to 0.84%. The results of this study support the sustainable utilization of MSWI fly ash by facilitating valuable resource recovery and promoting its conversion into construction materials.
    MeSH term(s) Coal Ash ; Zinc ; Solid Waste/analysis ; Metals, Heavy/analysis ; Ammonia ; Ammonium Compounds ; Incineration/methods ; Carbon ; Particulate Matter ; Refuse Disposal
    Chemical Substances Coal Ash ; Zinc (J41CSQ7QDS) ; Solid Waste ; Metals, Heavy ; Ammonia (7664-41-7) ; Ammonium Compounds ; Carbon (7440-44-0) ; Particulate Matter
    Language English
    Publishing date 2024-02-23
    Publishing country United States
    Document type Journal Article
    ZDB-ID 2001471-5
    ISSN 1879-2456 ; 0956-053X
    ISSN (online) 1879-2456
    ISSN 0956-053X
    DOI 10.1016/j.wasman.2024.02.036
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  10. Article: Bridging the 12-6-4 Model and the Fluctuating Charge Model.

    Li, Pengfei

    Frontiers in chemistry

    2021  Volume 9, Page(s) 721960

    Abstract: Metal ions play important roles in various biological systems. Molecular dynamics (MD) using classical force field has become a popular research tool to study biological systems at the atomic level. However, meaningful MD simulations require reliable ... ...

    Abstract Metal ions play important roles in various biological systems. Molecular dynamics (MD) using classical force field has become a popular research tool to study biological systems at the atomic level. However, meaningful MD simulations require reliable models and parameters. Previously we showed that the 12-6 Lennard-Jones nonbonded model for ions could not reproduce the experimental hydration free energy (HFE) and ion-oxygen distance (IOD) values simultaneously when ion has a charge of +2 or higher. We discussed that this deficiency arises from the overlook of the ion-induced dipole interaction in the 12-6 model, and this term is proportional to 1/
    Language English
    Publishing date 2021-07-22
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2711776-5
    ISSN 2296-2646
    ISSN 2296-2646
    DOI 10.3389/fchem.2021.721960
    Database MEDical Literature Analysis and Retrieval System OnLINE

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