Conformation analysis device, analysis method, conformational notation device and notation method

    公开(公告)号:US11119033B2

    公开(公告)日:2021-09-14

    申请号:US12385856

    申请日:2009-04-22

    IPC分类号: G16C10/00 G01N21/19

    摘要: A conformation analysis device and analysis method with which discrimination can be achieved even if there is a subtle difference in a conformational structure, a given molecule can be processed in a unified manner, and large-scale computer processing can be performed, and a conformational notation device and notation method with which even in the case where a conformation cannot be uniquely determined if a rule in accordance with the IUPAC Nomenclature is followed, the conformation can be uniquely notated, a given molecule can be processed in a unified manner, and large-scale computer processing can be performed, are provided. In one embodiment of the invention, a processing section receives an input of a chemical structural formula of a compound to be analyzed, puts a predetermined code indicating a dihedral angle to each chemical binding site based on the received chemical structural formula, extracts an encoded conformational notation of interest with respect to a structure capable of uniquely determining a conformation with one conformational notation, and stores the extracted encoded conformational notation in a storage section. Then, the processing section creates a molecular model based on the extracted encoded conformational notation, performs geometry optimization and frequency calculation for the created molecular model, determines a geometry optimized structure and a physical property value of the geometry optimized structure, extracts the encoded conformational notation from the storage section, and performs a homology analysis based on the notation.

    SPECTROSCOPIC ANALYSIS DEVICE
    5.
    发明申请

    公开(公告)号:US20210190676A1

    公开(公告)日:2021-06-24

    申请号:US16770219

    申请日:2018-11-29

    IPC分类号: G01N21/19 G01J3/447 G01J3/28

    摘要: A spectroscopic analysis device includes a light source configured to emit light including a plurality of wavelength components, a polarizer configured to convert the light emitted from the light source to a light of linearly polarized light to be radiated to a sample, a polarizing diffraction element configured to diffract and spectrally disperse a first polarization component included in the light having passed through the sample in a first direction, the polarizing diffraction element being configured to diffract and spectrally disperse a second polarization component included in the light in a second direction different from the first direction, a prism which is disposed on an exit side of the polarizing diffraction element and which has a first exit surface crossing the first direction and a second exit surface crossing the second direction, and in which angles of the first exit surface and the second exit surface with respect to a reference plane including the first direction and the second direction are different, an imaging element configured to capture an image of the first polarization component emitted from the first exit surface of the prism and an image of the second polarization component emitted from the second exit surface, and a processor configured to analyze the sample based on an imaging result of the imaging element.

    Molecular detection system
    6.
    发明授权

    公开(公告)号:US10989651B2

    公开(公告)日:2021-04-27

    申请号:US15314034

    申请日:2015-05-28

    摘要: A molecular sensor that utilises dichroism can be used to identify the presence of specific molecules in a substance. The molecular sensor includes a sensor element comprising (i) a scaffold moiety and (ii) one or more receptor molecules for the target molecule attached to the scaffold moiety to form a scaffold/receptor complex, wherein the scaffold/receptor complex is modified to incorporate a chromophore and the modified scaffold/receptor complex has a high aspect ratio.

    Circular dichroism measuring method and circular dichroism measuring device

    公开(公告)号:US10663391B2

    公开(公告)日:2020-05-26

    申请号:US16414253

    申请日:2019-05-16

    发明人: Hiroshi Satozono

    IPC分类号: G01N21/19 G01J4/04 G01N21/21

    摘要: Circular dichroism can be accurately measured even when a phase modulation element with a distortion component is used.A circular dichroism measuring method using a circular dichroism measuring device 2 includes a step of measuring Ip(t) (S101: phase amount change acquisition step), a step of measuring Is(t) (S102: sample data acquisition step), a step of converting Ip(t) to δ(t) (S103: phase amount change acquisition step), a step of converting Is(t) to Is(δ) (S104: analysis step/Is(δ) calculation step), and a step of performing curve fitting to calculate matrix elements S00, S02, and S03 (S105: analysis step/matrix element calculation step).

    Device and method for spectrum determination

    公开(公告)号:US10564035B2

    公开(公告)日:2020-02-18

    申请号:US15968307

    申请日:2018-05-01

    申请人: JASCO Corporation

    摘要: The present invention relates to improvement in accuracy in a device and a method for determining whether a spectrum of a target sample coincide with a standard spectrum or not.A spectrum determination device 10 determines whether a sample spectrum coincides with a reference spectrum or not by the reference spectrum obtained from a spectrum group. The spectrum determination device 10 comprises a storage unit 26 for storing the reference spectrum, and a determination unit 28 for comparing the reference spectrum and the sample spectrum to determine a sample 20 from the comparison result. The reference spectrum is set with a differing weighting for each point. The determination unit 28 calculates an individual coincidence with the sample spectrum for each point of the reference spectrum, and calculates a coincidence of the sample spectrum with the reference spectrum by the individual coincidence and the differing weighting to determine the sample 20.

    CIRCULAR DICHROISM MEASURING METHOD AND CIRCULAR DICHROISM MEASURING DEVICE

    公开(公告)号:US20190271639A1

    公开(公告)日:2019-09-05

    申请号:US16414253

    申请日:2019-05-16

    发明人: Hiroshi SATOZONO

    IPC分类号: G01N21/19 G01J4/04

    摘要: Circular dichroism can be accurately measured even when a phase modulation element with a distortion component is used.A circular dichroism measuring method using a circular dichroism measuring device 2 includes a step of measuring Ip(t) (S101: phase amount change acquisition step), a step of measuring Is(t) (S102: sample data acquisition step), a step of converting Ip(t) to δ(t) (S103: phase amount change acquisition step), a step of converting Is(t) to Is(δ) (S104: analysis step/Is(δ) calculation step), and a step of performing curve fitting to calculate matrix elements S00, S02, and S03 (S105: analysis step/matrix element calculation step).