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  1. Article ; Online: Location of the Shared Proton in Proton-Bound Dimer Compound of Hydrogen Sulfate and Formate: Path Integral Molecular Dynamics Study.

    Udagawa, Taro / Tanaka, Hikaru / Kuwahata, Kazuaki / Tachikawa, Masanori

    The journal of physical chemistry. A

    2024  Volume 128, Issue 11, Page(s) 2103–2110

    Abstract: The structure of the proton-bound dimer compound of hydrogen sulfate and formate has been studied by considering nuclear quantum effects (NQEs) using the path integral molecular dynamics method. This study unveiled the location of the shared proton and ... ...

    Abstract The structure of the proton-bound dimer compound of hydrogen sulfate and formate has been studied by considering nuclear quantum effects (NQEs) using the path integral molecular dynamics method. This study unveiled the location of the shared proton and answered the following question: "Is the shared proton localized on either an anion or located around the center of two anions?" We have elucidated that the shared proton is distributed in the region beyond the transition state due to the NQEs, even though the shared proton did not completely overcome the transition state for the proton shuttle.
    Language English
    Publishing date 2024-02-27
    Publishing country United States
    Document type Journal Article
    ISSN 1520-5215
    ISSN (online) 1520-5215
    DOI 10.1021/acs.jpca.4c00239
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  2. Article ; Online: Network of extracellular vesicles surrounding senescent cells.

    Okawa, Hikaru / Tanaka, Yoko / Takahashi, Akiko

    Archives of biochemistry and biophysics

    2024  Volume 754, Page(s) 109953

    Abstract: Extracellular vesicles (EVs) are small lipid bilayers released from cells that contain cellular components such as proteins, nucleic acids, lipids, and metabolites. Biological information is transmitted between cells via the EV content. Cancer and ... ...

    Abstract Extracellular vesicles (EVs) are small lipid bilayers released from cells that contain cellular components such as proteins, nucleic acids, lipids, and metabolites. Biological information is transmitted between cells via the EV content. Cancer and senescent cells secrete more EVs than normal cells, delivering more information to the surrounding recipient cells. Cellular senescence is a state of irreversible cell cycle arrest caused by the accumulation of DNA damage. Senescent cells secrete various inflammatory proteins known as the senescence-associated secretory phenotype (SASP). Inflammatory SASP factors, including small EVs, induce chronic inflammation and lead to various age-related pathologies. Recently, senolytic drugs that selectively induce cell death in senescent cells have been developed to suppress the pathogenesis of age-related diseases. This review describes the characteristics of senescent cells, the functions of EVs released from senescent cells, and the therapeutic effects of EVs on age-related diseases. Understanding the biology of EVs secreted from senescent cells will provide valuable insights for achieving healthy longevity in an aging society.
    MeSH term(s) Humans ; Extracellular Vesicles/metabolism ; Cellular Senescence ; Aging ; Neoplasms/metabolism ; Biological Transport
    Language English
    Publishing date 2024-03-01
    Publishing country United States
    Document type Journal Article ; Review
    ZDB-ID 523-x
    ISSN 1096-0384 ; 0003-9861
    ISSN (online) 1096-0384
    ISSN 0003-9861
    DOI 10.1016/j.abb.2024.109953
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  3. Article ; Online: Calcineurin B1

    Teramoto, Hikaru / Hirashima, Naohide / Tanaka, Masahiko

    Cells

    2023  Volume 12, Issue 14

    Abstract: To investigate the roles of calcineurin (CN) in glial cells, we previously generated conditional knockout (CKO) mice ... ...

    Abstract To investigate the roles of calcineurin (CN) in glial cells, we previously generated conditional knockout (CKO) mice lacking
    MeSH term(s) Mice ; Animals ; Calcineurin/metabolism ; Glial Cell Line-Derived Neurotrophic Factor/metabolism ; Intestine, Small/metabolism ; Inflammation/metabolism ; Apoptosis ; Neuroglia/metabolism ; Cell Proliferation
    Chemical Substances Calcineurin (EC 3.1.3.16) ; Glial Cell Line-Derived Neurotrophic Factor
    Language English
    Publishing date 2023-07-17
    Publishing country Switzerland
    Document type Journal Article ; Research Support, Non-U.S. Gov't
    ZDB-ID 2661518-6
    ISSN 2073-4409 ; 2073-4409
    ISSN (online) 2073-4409
    ISSN 2073-4409
    DOI 10.3390/cells12141867
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  4. Article ; Online: Low-Barrier Hydrogen Bond in Fujikurin A-D: A Computational Study.

    Tanaka, Hikaru / Kuwahata, Kazuaki / Tachikawa, Masanori / Udagawa, Taro

    ACS omega

    2022  Volume 7, Issue 16, Page(s) 14244–14251

    Abstract: The compounds Fujikurin A, B, and D, recently isolated ... ...

    Abstract The compounds Fujikurin A, B, and D, recently isolated from
    Language English
    Publishing date 2022-04-15
    Publishing country United States
    Document type Journal Article
    ISSN 2470-1343
    ISSN (online) 2470-1343
    DOI 10.1021/acsomega.2c00857
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  5. Article ; Online: Nitrergic inhibition of sympathetic arteriolar constrictions in the female rodent urethra.

    Hashitani, Hikaru / Mitsui, Retsu / Hirai, Yuuna / Tanaka, Hidekazu / Miwa-Nishimura, Kyoko

    The Journal of physiology

    2024  

    Abstract: During the urine storage phase, tonically contracting urethral musculature would have a higher energy consumption than bladder muscle that develops phasic contractions. However, ischaemic dysfunction is less prevalent in the urethra than in the bladder, ... ...

    Abstract During the urine storage phase, tonically contracting urethral musculature would have a higher energy consumption than bladder muscle that develops phasic contractions. However, ischaemic dysfunction is less prevalent in the urethra than in the bladder, suggesting that urethral vasculature has intrinsic properties ensuring an adequate blood supply. Diameter changes in rat or mouse urethral arterioles were measured using a video-tracking system. Intercellular Ca
    Language English
    Publishing date 2024-04-24
    Publishing country England
    Document type Journal Article
    ZDB-ID 3115-x
    ISSN 1469-7793 ; 0022-3751
    ISSN (online) 1469-7793
    ISSN 0022-3751
    DOI 10.1113/JP285583
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  6. Article ; Online: Nuclear quantum and H/D isotope effects on intramolecular hydrogen bond in curcumin.

    Udagawa, Taro / Yabushita, Hinata / Tanaka, Hikaru / Kuwahata, Kazuaki / Tachikawa, Masanori

    Physical chemistry chemical physics : PCCP

    2023  Volume 25, Issue 23, Page(s) 15798–15806

    Abstract: Curcumin and its derivatives possess intramolecular low-barrier hydrogen bonds for intramolecular proton transfer. The π-delocalization in the OCCCO framework of the hydrogen bond in these compounds is reorganized concomitantly with the proton transfer. ... ...

    Abstract Curcumin and its derivatives possess intramolecular low-barrier hydrogen bonds for intramolecular proton transfer. The π-delocalization in the OCCCO framework of the hydrogen bond in these compounds is reorganized concomitantly with the proton transfer. To characterize the hydrogen bond and π-delocalization, we performed path integral molecular dynamics simulations, revealing that although the proton migration and reorganization of the π-delocalized structure showed a positive correlation, the correlation was weak.
    Language English
    Publishing date 2023-06-15
    Publishing country England
    Document type Journal Article
    ZDB-ID 1476244-4
    ISSN 1463-9084 ; 1463-9076
    ISSN (online) 1463-9084
    ISSN 1463-9076
    DOI 10.1039/d3cp01821k
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  7. Article ; Online: Algorithm for spin symmetry operation search.

    Shinohara, Kohei / Togo, Atsushi / Watanabe, Hikaru / Nomoto, Takuya / Tanaka, Isao / Arita, Ryotaro

    Acta crystallographica. Section A, Foundations and advances

    2024  Volume 80, Issue Pt 1, Page(s) 94–103

    Abstract: A spin space group provides a suitable way of fully exploiting the symmetry of a spin arrangement with a negligible spin-orbit coupling. There has been a growing interest in applying spin symmetry analysis with the spin space group in the field of ... ...

    Abstract A spin space group provides a suitable way of fully exploiting the symmetry of a spin arrangement with a negligible spin-orbit coupling. There has been a growing interest in applying spin symmetry analysis with the spin space group in the field of magnetism. However, there is no established algorithm to search for spin symmetry operations of the spin space group. This paper presents an exhaustive algorithm for determining the spin symmetry operations of commensurate spin arrangements. The present algorithm searches for spin symmetry operations from the symmetry operations of a corresponding nonmagnetic crystal structure and determines their spin-rotation parts by solving a Procrustes problem. An implementation is distributed under a permissive free software license in spinspg Version 0.1.1, available at https://github.com/spglib/spinspg.
    Language English
    Publishing date 2024-01-01
    Publishing country United States
    Document type Journal Article
    ZDB-ID 2020844-3
    ISSN 2053-2733 ; 1600-5724 ; 0108-7673
    ISSN (online) 2053-2733 ; 1600-5724
    ISSN 0108-7673
    DOI 10.1107/S2053273323009257
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  8. Article ; Online: Direct Elucidation of the Vibrationally Averaged Structure of Benzene: A Path Integral Molecular Dynamics Study.

    Udagawa, Taro / Tanaka, Hikaru / Hirano, Tsuneo / Kuwahata, Kazuaki / Tachikawa, Masanori / Baba, Masaaki / Nagashima, Umpei

    The journal of physical chemistry. A

    2023  Volume 127, Issue 4, Page(s) 894–901

    Abstract: Path integral molecular dynamics (PIMD) simulations for ... ...

    Abstract Path integral molecular dynamics (PIMD) simulations for C
    Language English
    Publishing date 2023-01-22
    Publishing country United States
    Document type Journal Article
    ISSN 1520-5215
    ISSN (online) 1520-5215
    DOI 10.1021/acs.jpca.2c07197
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  9. Article ; Online: Cardioprotective Effect against Ischemia-Reperfusion Injury of PAK-200, a Dihydropyridine Analog with an Inhibitory Effect on Cl

    Namekata, Iyuki / Tamura, Miku / Kase, Jyunya / Hamaguchi, Shogo / Tanaka, Hikaru

    Biomolecules

    2023  Volume 13, Issue 12

    Abstract: We examined the effects of a dihydropyridine analog, PAK-200, on guinea pig myocardium during experimental ischemia and reperfusion. In isolated ventricular cardiomyocytes, PAK-200 (1 μM) had no effect on the basal peak inward and steady-state currents ... ...

    Abstract We examined the effects of a dihydropyridine analog, PAK-200, on guinea pig myocardium during experimental ischemia and reperfusion. In isolated ventricular cardiomyocytes, PAK-200 (1 μM) had no effect on the basal peak inward and steady-state currents but inhibited the isoprenaline-induced time-independent Cl
    MeSH term(s) Animals ; Guinea Pigs ; Myocardial Ischemia ; Myocardial Reperfusion Injury/drug therapy ; Isoproterenol/pharmacology ; Chlorides/pharmacology ; Dihydropyridines/pharmacology ; Ischemia ; Myocytes, Cardiac ; Myocardial Contraction
    Chemical Substances PAK 200 (142857-52-1) ; Isoproterenol (L628TT009W) ; Chlorides ; Dihydropyridines
    Language English
    Publishing date 2023-11-29
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2701262-1
    ISSN 2218-273X ; 2218-273X
    ISSN (online) 2218-273X
    ISSN 2218-273X
    DOI 10.3390/biom13121719
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  10. Article ; Online: Regiocontrol Using Fluoro Substituent on 3,6-Disubstituted Arynes.

    Yoshioka, Eito / Yamaoka, Yousuke / Shimada, Shunsuke / Tanaka, Hikaru / Miyabe, Hideto

    Chemical & pharmaceutical bulletin

    2023  Volume 71, Issue 10, Page(s) 775–781

    Abstract: The effect of fluoro substituent on the regioselectivity of several reactions of 3,6-disubstituted arynes was studied. These arynes contained another inductively electron-withdrawing substituent other than fluorine. A reasonable degree of regiocontrol ... ...

    Abstract The effect of fluoro substituent on the regioselectivity of several reactions of 3,6-disubstituted arynes was studied. These arynes contained another inductively electron-withdrawing substituent other than fluorine. A reasonable degree of regiocontrol was achieved in the (3 + 2) cycloaddition reaction of 3,6-disubstituted aryne containing both fluorine and bromine atoms with benzyl azide. Furthermore, the insertion reaction of aryne into Sn-F σ-bonds and the three-component coupling reaction involving the insertion of aryne into C=O π-bonds also led to the high degree of regiocontrol.
    MeSH term(s) Fluorine ; Cycloaddition Reaction
    Chemical Substances Fluorine (284SYP0193)
    Language English
    Publishing date 2023-09-16
    Publishing country Japan
    Document type Journal Article
    ZDB-ID 213307-6
    ISSN 1347-5223 ; 0009-2363
    ISSN (online) 1347-5223
    ISSN 0009-2363
    DOI 10.1248/cpb.c23-00458
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