Notice of Pre-AIA or AIA Status
The present application, filed on or after March 16, 2013, is being examined under the first inventor to file provisions of the AIA .
Status of the Claims
Claims 19-35 are currently pending and under exam herein.
Claims 19-35 are rejected.
Priority
The instant application is 371 of PCT/IB2022/0551539 filed on 6/1/2022 and claims priority from foreign application PCT/IB2021/055037 filed on 6/08/2021. Thus, the effective filing date of the instant application is 6/08/2021.
Drawings
The Drawings filed on 12/06/2023 were considered.
Information Disclosure Statement
The information disclosure statement (IDS) submitted on 12/06/2023, 02/22/2024, 01/28/2026 are in compliance with the provisions of 37 CFR 1.97. Accordingly, the information disclosure statement has been considered by the examiner.
Claim Rejections - 35 USC § 101
35 U.S.C. 101 reads as follows:
Whoever invents or discovers any new and useful process, machine, manufacture, or composition of matter, or any new and useful improvement thereof, may obtain a patent therefor, subject to the conditions and requirements of this title.
Claims 19-35 are rejected under 35 U.S.C. 101 because the claimed invention is directed to an abstract idea without significantly more. The claims recite: (a) mathematical concepts, (e.g., mathematical relationships, formulas or equations, mathematical calculations); and (b) mental processes, i.e., concepts performed in the human mind, (e.g., observation, evaluation, judgement, opinion).
Subject matter eligibility evaluation in accordance with MPEP 2106:
Eligibility Step 1: Claims 19-35 are directed to a method to build an ir fingerprint database for the structural identification of biomolecules
[Step 1: YES]
Eligibility Step 2A: First it is determined in Prong One whether a claim recites a judicial exception, and if
so, then it is determined in Prong Two whether the recited judicial exception is integrated into a
practical application of that exception.
Eligibility Step 2A Prong One: In determining whether a claim is directed to a judicial exception,
examination is performed that analyzes whether the claim recites a judicial exception, i.e., whether a
law of nature, natural phenomenon, or abstract idea is set forth or described in the claim.
Independent claim 19 recites the following steps which fall within the mental processes and/or mathematical concepts groupings of abstract ideas:
storing first data on the mass-to-charge ratios (m/z) and the IR fingerprints of the separate isomeric or isobaric molecules to a database, thereby obtaining recorded molecules; and (mental process)
identifying unrecorded molecules that have not yet been recorded to the database, the step of identifying including, (mental process)
storing second data on the mass-to-charge ratios (m/z) and the IR fingerprints of the structurally characteristic fragments of the unrecorded molecules to a memory, (mental process)
identifying the structurally characteristic fragments by comparing the second data with the first data on the mass-to-charge ratios (m/z) and the IR fingerprints of the database, (mental process)
determining an original structure of the unrecorded molecules based on the structurally characteristic fragments of the step of identifying, to obtain a new set of recorded molecules. (mental process)
Dependent claim 20 recites the following steps which fall within the mental processes and/or mathematical concepts groupings of abstract ideas:
storing third data on the mass-to-charge ratios (m/z) and the IR fingerprints of the new set of recorded molecules to the database, after the step of determining. (mental process)
Dependent claim 21 recites the following steps which fall within the mental processes and/or mathematical concepts groupings of abstract ideas:
identifying unknown molecules, the step of identifying including, (mental process)
storing fourth data on the mass-to-charge ratios (m/z) and the IR fingerprints of the separate isomeric or isobaric unknown molecules to a memory, and (mental process)
comparing the fourth data with the third data of the database to identify the unknown molecules. (mental process)
Dependent claim 22 recites the following steps which fall within the mental processes and/or mathematical concepts groupings of abstract ideas:
storing fifth data on the mass-to-charge ratios (m/z) and the IR fingerprints of the structurally characteristic fragments of the new set of recorded molecules to the database. (mental process)
Dependent claim 23 recites the following steps which fall within the mental processes and/or mathematical concepts groupings of abstract ideas:
storing sixth data on the mass-to-charge ratios (m/z) and the IR fingerprints of the structurally characteristic fragments of the separate isomeric or isobaric molecules, to include data on fragments of the analytical standards to the database. (mental process)
Dependent claim 30 recites the following steps which fall within the mental processes and/or mathematical concepts groupings of abstract ideas:
wherein the molecules are selected from a list comprising at least one of oligosaccharides, glycans, polypeptides, nucleic acids, lipids, primary metabolites, and/or secondary metabolites. (mental process)
Dependent claim 32 recites the following steps which fall within the mental processes and/or mathematical concepts groupings of abstract ideas:
storing first data on the mass-to-charge ratios (m/z) and the IR fingerprints of the separate isomeric or isobaric molecules to a database, thereby obtaining recorded molecules; and (mental process)
identifying unrecorded molecules that have not yet been recorded to the database, the step of identifying including, (mental process)
storing second data on the mass-to-charge ratios (m/z) and the IR fingerprints of the structurally characteristic fragments of the unrecorded molecules to a memory, (mental process)
identifying the structurally characteristic fragments by comparing the second data with the first data on the mass-to-charge ratios (m/z) and the IR fingerprints of the database, and (mental process)
determining an original structure of the unrecorded molecules based on the structurally characteristic fragments of the step of identifying, to obtain a new set of recorded molecules. (mental process)
Dependent claim 33 recites the following steps which fall within the mental processes and/or mathematical concepts groupings of abstract ideas:
storing third data on the mass-to-charge ratios (m/z) and the IR fingerprints of the new set of recorded molecules to the database, after the step of determining. (mental process)
Dependent claim 34 recites the following steps which fall within the mental processes and/or mathematical concepts groupings of abstract ideas:
identifying unknown molecules, the step of identifying including, (mental process)
storing fourth data on the mass-to-charge ratios (m/z) and the IR fingerprints of the separate isomeric or isobaric unknown molecules to a memory, and (mental process)
comparing the fourth data with the third data of the database to identify the unknown molecules. (mental process)
Independent claim 35 recites the following steps which fall within the mental processes and/or mathematical concepts groupings of abstract ideas:
and/or comparing fragment IR fingerprints to database fingerprints, determining the original structure of the unknown molecules. (mental process)
The abstract ideas recited in the claims are evaluated under the broadest reasonable interpretation (BRI) of the claim limitations when read in light of and consistent with the specification. As noted in the foregoing section, the claims are determined to contain limitations that can practically be performed in the human mind with the aid of a pencil and paper, and therefore recite judicial exceptions from the mental process grouping of abstract ideas. Additionally, the recited limitations that are identified as judicial exceptions from the mathematical concepts grouping of abstract ideas are abstract ideas irrespective of whether or not the limitations are practical to perform in the human mind.
Therefore, claims 19-35 recite an abstract idea as the dependent claims will inherit the abstract ideas from the independent claims.
[Step 2A Prong One: YES]
Eligibility Step 2A Prong Two: In determining whether a claim is directed to a judicial exception, further
examination is performed that analyzes if the claim recites additional elements that when examined as a
whole integrates the judicial exception(s) into a practical application (MPEP 2106.04(d)). A claim that
integrates a judicial exception into a practical application will apply, rely on, or use the judicial exception
in a manner that imposes a meaningful limit on the judicial exception. The claimed additional elements
are analyzed to determine if the abstract idea is integrated into a practical application (MPEP
2106.04(d)(I); MPEP 2106.05(a-h)). If the claim contains no additional elements beyond the abstract
idea, the claim fails to integrate the abstract idea into a practical application (MPEP 2106.04(d)(III)).
The judicial exceptions identified in Eligibility Step 2A Prong One are not integrated into a practical application because of the reasons noted below.
The additional element in independent claim 19 includes:
A method for identifying, and creating a database of, molecules, comprising the steps of:
performing isomer or isobar separation on molecules to obtain separate isomeric or isobaric molecules; measuring mass-to-charge ratios (m/z) through mass spectrometry and performing infrared (IR) spectroscopy to obtain IR fingerprints of the separate isomeric or isobaric molecules; performing isomer or isobar separation on the unrecorded molecules to obtain separate isomeric or isobaric unrecorded molecules, fragmenting the unrecorded molecules into structurally characteristic fragments, the structurally characteristic fragments corresponding to the molecules previously recorded in the database, measuring mass-to-charge ratios (m/z) through mass spectrometry and performing infrared (IR) spectroscopy to obtain IR fingerprints of the structurally characteristic fragments of the unrecorded molecules,
The additional element in dependent claim 21 includes:
performing isomer or isobar separation on the unknown molecules to obtain separate isomeric or isobaric unknown molecules, measuring mass-to-charge ratios (m/z) through mass spectrometry and performing infrared (IR) spectroscopy to obtain IR fingerprints of the separate isomeric or isobaric unknown molecules,
The additional element in dependent claim 22 includes:
performing isomer or isobar separation on the new set of recorded molecules from the step of determining, to obtain separate isomeric or isobaric species of the new set of recorded molecules;
fragmenting the new set of recorded molecules into structurally characteristic fragments that were not previously recorded;
measuring mass-to-charge ratios (m/z) through mass spectrometry and performing infrared (IR) spectroscopy to obtain IR fingerprints of the structurally characteristic fragments of the new set of recorded molecules; and
The additional element in dependent claim 23 includes:
performing isomer or isobar separation on molecules serving as an analytical standard, to obtain separate isomeric or isobaric molecules serving as the analytical standard;
fragmenting the separate isomeric or isobaric molecules into structurally characteristic fragments that were not previously recorded;
measuring mass-to-charge ratios (m/z) through mass spectrometry and performing infrared (IR) spectroscopy to obtain IR fingerprints of the structurally characteristic fragments of the separate isomeric or isobaric molecules; and
The additional element in dependent claim 24 includes:
performing isomer or isobar separation of the structurally characteristic fragments, after the step of fragmenting, the performing done by ion mobility spectrometry (IMS).
The additional element in dependent claim 25 includes:
wherein the step of fragmenting includes at least one of collision-induced dissociation (CID), collision-activated dissociation (CAD), surface-induced dissociation (SID), electron-capture dissociation (ECD), electron-transfer dissociation (ETD), and/or dissociation induced by the absorption of photons.
The additional element in dependent claim 26 includes:
wherein the step of measuring includes infrared multiple photon dissociation (IRMPD), irradiating molecular ions with photons from a laser source, and monitoring and recording the wavelength-dependent fragmentation yield of the precursor ions using a mass spectrometer.
The additional element in dependent claim 27 includes:
herein the step of measuring includes cryogenic ion spectroscopy, the cryogenic ion spectroscopy including the steps of storing ions in a cryogenic ion trap; cooling ions by collisions with a cold buffer gas; tagging cold ions by one or multiple tag molecules; irradiating ions with photons from a laser source; and recording the wavelength-dependent depletion of tagged cold ions using a mass spectrometer.
The additional element in dependent claim 28 includes:
wherein the step of measuring includes spectroscopy at photon energies ranging from 500 cm−1 to 4000 cm−4
The additional element in dependent claim 29 includes:
wherein the step of measuring includes spectroscopy at photon energies ranging from 3250 cm−1 to 3750 cm−1.
The additional element in dependent claim 31 includes:
wherein the step of performing isomer or isobar separation includes at least one of ion mobility spectrometry (IMS), liquid chromatography (LC), gas chromatography (GC), and/or capillary electrophoresis (CE).
The additional element in independent claim 32 includes:
A non-transitory computer-readable medium having computer-readable instructions recorded thereon, the computer-readable instructions configured to perform a method for identifying, and creating a database of, molecules when executed in a computer that has access to a database, the method including the steps of:
controlling a separation device for performing isomer or isobar separation on molecules to obtain separate isomeric or isobaric molecules;
instructing the measuring of mass-to-charge ratios (m/z) through mass spectrometry and the performing infrared (IR) spectroscopy to obtain IR fingerprints of the separate isomeric or isobaric molecules;
instructing the performing of isomer or isobar separation on the unrecorded molecules to obtain separate isomeric or isobaric unrecorded molecules,
controlling a fragmentation device for fragmenting the unrecorded molecules into structurally characteristic fragments, the structurally characteristic fragments corresponding to the molecules previously recorded in the database,
instructing the measuring of mass-to-charge ratios (m/z) through mass spectrometry and the performing infrared (IR) spectroscopy to obtain IR fingerprints of the structurally characteristic fragments of the unrecorded molecules,
The additional element in dependent claim 34 includes:
instructing the performing of isomer or isobar separation on the unknown molecules to obtain separate isomeric or isobaric unknown molecules,
instructing the measuring of mass-to-charge ratios (m/z) through mass spectrometry and the performing infrared (IR) spectroscopy to obtain IR fingerprints of the separate isomeric or isobaric unknown molecules,
The additional element in dependent claim 35 includes:
A system for creating a database of isomers of molecules, comprising:
a device for performing at least one of ion mobility spectrometry (IMS), liquid chromatography (LC), gas chromatography (GC), and/or capillary electrophoresis (CE) on molecules;
a device for performing fragmentation of molecules including at least one of collision-induced dissociation (CID), collision-activated dissociation (CAD), surface-induced dissociation (SID), electron-capture dissociation (ECD), electron-transfer dissociation (ETD), and/or dissociation induced by the absorption of photons;
a device for performing infrared (IR) spectroscopic fingerprinting of molecules; and
a computing device having access to a database, the computing device configured to record IR fingerprints of separated species in the database, configured to record IR fingerprints and mass-to-charge ratios (m/z) of new, structurally characteristic fragments in the database
The additional elements of performing isomer or isobar separation on molecules to obtain separate isomeric or isobaric molecules; measuring mass-to-charge ratios (m/z) through mass spectrometry and performing infrared (IR) spectroscopy to obtain IR fingerprints of the separate isomeric or isobaric molecules; performing isomer or isobar separation on the unrecorded molecules to obtain separate isomeric or isobaric unrecorded molecules, fragmenting the unrecorded molecules into structurally characteristic fragments, the structurally characteristic fragments corresponding to the molecules previously recorded in the database, measuring mass-to-charge ratios (m/z) through mass spectrometry and performing infrared (IR) spectroscopy to obtain IR fingerprints of the structurally characteristic fragments of the unrecorded molecules, (Claim 19), performing isomer or isobar separation on the unknown molecules to obtain separate isomeric or isobaric unknown molecules, measuring mass-to-charge ratios (m/z) through mass spectrometry and performing infrared (IR) spectroscopy to obtain IR fingerprints of the separate isomeric or isobaric unknown molecules, (Claim 21), performing isomer or isobar separation on the new set of recorded molecules from the step of determining, to obtain separate isomeric or isobaric species of the new set of recorded molecules; (Claim 22), fragmenting the new set of recorded molecules into structurally characteristic fragments that were not previously recorded; (Claim 22), measuring mass-to-charge ratios (m/z) through mass spectrometry and performing infrared (IR) spectroscopy to obtain IR fingerprints of the structurally characteristic fragments of the new set of recorded molecules; and (Claim 22), performing isomer or isobar separation on molecules serving as an analytical standard, to obtain separate isomeric or isobaric molecules serving as the analytical standard; (Claim 23), fragmenting the separate isomeric or isobaric molecules into structurally characteristic fragments that were not previously recorded; (Claim 23), measuring mass-to-charge ratios (m/z) through mass spectrometry and performing infrared (IR) spectroscopy to obtain IR fingerprints of the structurally characteristic fragments of the separate isomeric or isobaric molecules; and (Claim 23), performing isomer or isobar separation of the structurally characteristic fragments, after the step of fragmenting, the performing done by ion mobility spectrometry (IMS). (Claim 24), wherein the step of fragmenting includes at least one of collision-induced dissociation (CID), collision-activated dissociation (CAD), surface-induced dissociation (SID), electron-capture dissociation (ECD), electron-transfer dissociation (ETD), and/or dissociation induced by the absorption of photons. (Claim 25), wherein the step of measuring includes infrared multiple photon dissociation (IRMPD), irradiating molecular ions with photons from a laser source, and monitoring and recording the wavelength-dependent fragmentation yield of the precursor ions using a mass spectrometer. (Claim 26), wherein the step of measuring includes cryogenic ion spectroscopy, the cryogenic ion spectroscopy including the steps of storing ions in a cryogenic ion trap; cooling ions by collisions with a cold buffer gas; tagging cold ions by one or multiple tag molecules; irradiating ions with photons from a laser source; and recording the wavelength-dependent depletion of tagged cold ions using a mass spectrometer. (Claim 27), wherein the step of measuring includes spectroscopy at photon energies ranging from 500 cm−1 to 4000 cm−1 (Claim 28), wherein the step of measuring includes spectroscopy at photon energies ranging from 3250 cm−1 to 3750 cm−1. (Claim 29), wherein the step of performing isomer or isobar separation includes at least one of ion mobility spectrometry (IMS), liquid chromatography (LC), gas chromatography (GC), and/or capillary electrophoresis (CE). (Claim 31), controlling a separation device for performing isomer or isobar separation on molecules to obtain separate isomeric or isobaric molecules; (Claim 32), instructing the measuring of mass-to-charge ratios (m/z) through mass spectrometry and the performing infrared (IR) spectroscopy to obtain IR fingerprints of the separate isomeric or isobaric molecules; (Claim 32), instructing the performing of isomer or isobar separation on the unrecorded molecules to obtain separate isomeric or isobaric unrecorded molecules, (Claim 32), controlling a fragmentation device for fragmenting the unrecorded molecules into structurally characteristic fragments, the structurally characteristic fragments corresponding to the molecules previously recorded in the database, (Claim 32), instructing the measuring of mass-to-charge ratios (m/z) through mass spectrometry and the performing infrared (IR) spectroscopy to obtain IR fingerprints of the structurally characteristic fragments of the unrecorded molecules, (Claim 32), instructing the performing of isomer or isobar separation on the unknown molecules to obtain separate isomeric or isobaric unknown molecules, (Claim 34), instructing the measuring of mass-to-charge ratios (m/z) through mass spectrometry and the performing infrared (IR) spectroscopy to obtain IR fingerprints of the separate isomeric or isobaric unknown molecules, (Claim 34), a device for performing at least one of ion mobility spectrometry (IMS), liquid chromatography (LC), gas chromatography (GC), and/or capillary electrophoresis (CE) on molecules; (Claim 35), a device for performing fragmentation of molecules including at least one of collision-induced dissociation (CID), collision-activated dissociation (CAD), surface-induced dissociation (SID), electron-capture dissociation (ECD), electron-transfer dissociation (ETD), and/or dissociation induced by the absorption of photons; (Claim 35), a device for performing infrared (IR) spectroscopic fingerprinting of molecules; and (Claim 35), a computing device having access to a database, the computing device configured to record IR fingerprints of separated species in the database, configured to record IR fingerprints and mass-to-charge ratios (m/z) of new, structurally characteristic fragments in the database (Claim 35) are insignificant extra-solution activity that are part of the data gathering process used in the recited judicial exceptions (see MPEP 2106.05(g)).
The additional elements of a method for identifying, and creating a database of, molecules, comprising the steps of: (Claim 19), A non-transitory computer-readable medium having computer-readable instructions recorded thereon, the computer-readable instructions configured to perform a method for identifying, and creating a database of, molecules when executed in a computer that has access to a database, the method including the steps of: (Claim 32), A system for creating a database of isomers of molecules, comprising: (Claim 35) fail to integrate a judicial exception into a practical application merely reciting the words "apply it" (or an equivalent) with the judicial exception, or merely including instructions to implement an abstract idea on a computer, or merely using a computer as a tool to perform an abstract idea, as discussed in MPEP § 2106.05(f).
Thus, the additionally recited elements merely invoke a computer as a tool, and/or amount to insignificant extra-solution data gathering activity, and as such, when all limitations in claims 19-35 have been considered as a whole, the claims are deemed to not recite any additional elements that would integrate a judicial exception into a practical application, and therefore claims 19-35 are directed to an abstract idea (MPEP 2106.04(d)).
[Step 2A Prong Two: NO]
Eligibility Step 2B: Because the claims recite an abstract idea, and do not integrate that abstract idea into a practical application, the claims are probed for a specific inventive concept. The judicial exception alone cannot provide that inventive concept or practical application (MPEP 2106.05). Identifying whether the additional elements beyond the abstract idea amount to such an inventive concept requires considering the additional elements individually and in combination to determine if they amount to significantly more than the judicial exception (MPEP 2106.05A i-vi).
The claims do not include any additional elements that are sufficient to amount to significantly more than the judicial exception(s) because of the reasons noted below.
The additional elements recited in claims 19-35 are identified above, and carried over from Step 2A: Prong Two along with their conclusions for analysis at Step 2B. Any additional element or combination of elements that was considered to be insignificant extra-solution activity at Step 2A: Prong Two was re-evaluated at Step 2B, because if such re-evaluation finds that the element is unconventional or otherwise more than what is well-understood, routine, conventional activity in the field, this finding may indicate that the additional element is no longer considered to be insignificant; and all additional elements and combination of elements were evaluated to determine whether any additional elements or combination of elements are other than what is well-understood, routine, conventional activity in the field, or simply append well-understood, routine, conventional activities previously known to the industry, specified at a high level of generality, to the judicial exception, per MPEP 2106.05(d).
The additional elements of performing isomer or isobar separation on molecules to obtain separate isomeric or isobaric molecules; measuring mass-to-charge ratios (m/z) through mass spectrometry and performing infrared (IR) spectroscopy to obtain IR fingerprints of the separate isomeric or isobaric molecules; performing isomer or isobar separation on the unrecorded molecules to obtain separate isomeric or isobaric unrecorded molecules, fragmenting the unrecorded molecules into structurally characteristic fragments, the structurally characteristic fragments corresponding to the molecules previously recorded in the database, measuring mass-to-charge ratios (m/z) through mass spectrometry and performing infrared (IR) spectroscopy to obtain IR fingerprints of the structurally characteristic fragments of the unrecorded molecules, (Claim 19), performing isomer or isobar separation on the unknown molecules to obtain separate isomeric or isobaric unknown molecules, measuring mass-to-charge ratios (m/z) through mass spectrometry and performing infrared (IR) spectroscopy to obtain IR fingerprints of the separate isomeric or isobaric unknown molecules, (Claim 21), performing isomer or isobar separation on the new set of recorded molecules from the step of determining, to obtain separate isomeric or isobaric species of the new set of recorded molecules; (Claim 22), fragmenting the new set of recorded molecules into structurally characteristic fragments that were not previously recorded; (Claim 22), measuring mass-to-charge ratios (m/z) through mass spectrometry and performing infrared (IR) spectroscopy to obtain IR fingerprints of the structurally characteristic fragments of the new set of recorded molecules; and (Claim 22), performing isomer or isobar separation on molecules serving as an analytical standard, to obtain separate isomeric or isobaric molecules serving as the analytical standard; (Claim 23), fragmenting the separate isomeric or isobaric molecules into structurally characteristic fragments that were not previously recorded; (Claim 23), measuring mass-to-charge ratios (m/z) through mass spectrometry and performing infrared (IR) spectroscopy to obtain IR fingerprints of the structurally characteristic fragments of the separate isomeric or isobaric molecules; and (Claim 23), performing isomer or isobar separation of the structurally characteristic fragments, after the step of fragmenting, the performing done by ion mobility spectrometry (IMS). (Claim 24), wherein the step of fragmenting includes at least one of collision-induced dissociation (CID), collision-activated dissociation (CAD), surface-induced dissociation (SID), electron-capture dissociation (ECD), electron-transfer dissociation (ETD), and/or dissociation induced by the absorption of photons. (Claim 25), wherein the step of measuring includes infrared multiple photon dissociation (IRMPD), irradiating molecular ions with photons from a laser source, and monitoring and recording the wavelength-dependent fragmentation yield of the precursor ions using a mass spectrometer. (Claim 26), wherein the step of measuring includes cryogenic ion spectroscopy, the cryogenic ion spectroscopy including the steps of storing ions in a cryogenic ion trap; cooling ions by collisions with a cold buffer gas; tagging cold ions by one or multiple tag molecules; irradiating ions with photons from a laser source; and recording the wavelength-dependent depletion of tagged cold ions using a mass spectrometer. (Claim 27), wherein the step of measuring includes spectroscopy at photon energies ranging from 500 cm−1 to 4000 cm−1 (Claim 28), wherein the step of measuring includes spectroscopy at photon energies ranging from 3250 cm−1 to 3750 cm−1. (Claim 29), wherein the step of performing isomer or isobar separation includes at least one of ion mobility spectrometry (IMS), liquid chromatography (LC), gas chromatography (GC), and/or capillary electrophoresis (CE). (Claim 31), controlling a separation device for performing isomer or isobar separation on molecules to obtain separate isomeric or isobaric molecules; (Claim 32), instructing the measuring of mass-to-charge ratios (m/z) through mass spectrometry and the performing infrared (IR) spectroscopy to obtain IR fingerprints of the separate isomeric or isobaric molecules; (Claim 32), instructing the performing of isomer or isobar separation on the unrecorded molecules to obtain separate isomeric or isobaric unrecorded molecules, (Claim 32), controlling a fragmentation device for fragmenting the unrecorded molecules into structurally characteristic fragments, the structurally characteristic fragments corresponding to the molecules previously recorded in the database, (Claim 32), instructing the measuring of mass-to-charge ratios (m/z) through mass spectrometry and the performing infrared (IR) spectroscopy to obtain IR fingerprints of the structurally characteristic fragments of the unrecorded molecules, (Claim 32), instructing the performing of isomer or isobar separation on the unknown molecules to obtain separate isomeric or isobaric unknown molecules, (Claim 34), instructing the measuring of mass-to-charge ratios (m/z) through mass spectrometry and the performing infrared (IR) spectroscopy to obtain IR fingerprints of the separate isomeric or isobaric unknown molecules, (Claim 34), a device for performing at least one of ion mobility spectrometry (IMS), liquid chromatography (LC), gas chromatography (GC), and/or capillary electrophoresis (CE) on molecules; (Claim 35), a device for performing fragmentation of molecules including at least one of collision-induced dissociation (CID), collision-activated dissociation (CAD), surface-induced dissociation (SID), electron-capture dissociation (ECD), electron-transfer dissociation (ETD), and/or dissociation induced by the absorption of photons; (Claim 35), a device for performing infrared (IR) spectroscopic fingerprinting of molecules; and (Claim 35), a computing device having access to a database, the computing device configured to record IR fingerprints of separated species in the database, configured to record IR fingerprints and mass-to-charge ratios (m/z) of new, structurally characteristic fragments in the database (Claim 35) are conventional and part of the data gathering process used in the recited judicial exceptions (see MPEP 2106.05(g)). Evidence for conventionality is shown by examiner assertion and US10845337B2 in view of Bansal et al. in view of Masellis et al. which uses ion mobility, fragmentation, IR, cryogenic ion trap. These works have established that multiple groups were using the same techniques in order to gather molecular structure information showing the technique is conventional.
The additional elements of a method for identifying, and creating a database of, molecules, comprising the steps of: (Claim 19), A non-transitory computer-readable medium having computer-readable instructions recorded thereon, the computer-readable instructions configured to perform a method for identifying, and creating a database of, molecules when executed in a computer that has access to a database, the method including the steps of: (Claim 32), A system for creating a database of isomers of molecules, comprising: (Claim 35) are conventional fail to integrate a judicial exception into a practical application merely reciting the words "apply it" (or an equivalent) with the judicial exception, or merely including instructions to implement an abstract idea on a computer, or merely using a computer as a tool to perform an abstract idea, as discussed in MPEP § 2106.05(f).
Claims 19-35 do not recite any elements in addition to the judicial exception. Therefore, when taken alone, all additional elements in claims 19-35 do not amount to significantly more than the above-identified judicial exception(s). Even when evaluated as a combination, the additional elements fail to transform the exception(s) into a patent-eligible application of that exception. Thus, claims 19-35 are deemed to not contribute an inventive concept, i.e., amount to significantly more than the judicial exception(s) (MPEP 2106.05(II)).
[Step 2B: NO]
Claim Rejections - 35 USC § 103
In the event the determination of the status of the application as subject to AIA 35 U.S.C. 102 and 103 (or as subject to pre-AIA 35 U.S.C. 102 and 103) is incorrect, any correction of the statutory basis (i.e., changing from AIA to pre-AIA ) for the rejection will not be considered a new ground of rejection if the prior art relied upon, and the rationale supporting the rejection, would be the same under either status.
The following is a quotation of 35 U.S.C. 103 which forms the basis for all obviousness rejections set forth in this Office action:
A patent for a claimed invention may not be obtained, notwithstanding that the claimed invention is not identically disclosed as set forth in section 102, if the differences between the claimed invention and the prior art are such that the claimed invention as a whole would have been obvious before the effective filing date of the claimed invention to a person having ordinary skill in the art to which the claimed invention pertains. Patentability shall not be negated by the manner in which the invention was made.
The factual inquiries for establishing a background for determining obviousness under 35 U.S.C. 103 are summarized as follows:
1. Determining the scope and contents of the prior art.
2. Ascertaining the differences between the prior art and the claims at issue.
3. Resolving the level of ordinary skill in the pertinent art.
4. Considering objective evidence present in the application indicating obviousness or nonobviousness.
This application currently names joint inventors. In considering patentability of the claims the examiner presumes that the subject matter of the various claims was commonly owned as of the effective filing date of the claimed invention(s) absent any evidence to the contrary. Applicant is advised of the obligation under 37 CFR 1.56 to point out the inventor and effective filing dates of each claim that was not commonly owned as of the effective filing date of the later invention in order for the examiner to consider the applicability of 35 U.S.C. 102(b)(2)(C) for any potential 35 U.S.C. 102(a)(2) prior art against the later invention.
Claims 19-35 are rejected under 35 U.S.C. 103 as being unpatentable over US10845337B2 in view of Bansal et al. (Bansal et al. Using SLIM-Based IMS-IMS Together with Cryogenic Infrared Spectroscopy for Glycan Analysis. Anal. Chem. 2020, 92 (13), 9079–9085) in view of Masellis et al. (Masellis, C.; Khanal, N.; Kamrath, M. Z.; Clemmer, D. E.; Rizzo, T. R. Cryogenic Vibrational Spectroscopy Provides Unique Fingerprints for Glycan Identification. Journal of the American Society for Mass Spectrometry 2017, 28 (10), 2217–2222.). The italicized text corresponds to the instant claim limitations.
With respect to the limitations of Claims 19, 32, 24, 27, 30, 31, 35, US10845337B2 teaches the invention enables the construction of a database of collisional cross sections and spectroscopic fingerprints to allow the identification of polysaccharides. (SUMMARY, US10845337B2, A method for identifying, and creating a database of, molecules, comprising the steps of (Claim 19) A non-transitory computer-readable medium having computer-readable instructions recorded thereon, the computer-readable instructions configured to perform a method for identifying, and creating a database of, molecules when executed in a computer that has access to a database, the method including the steps of: (Claim 32) A system for creating a database of isomers of molecules, comprising (Claim 35) US10845337B2 also teaches the determination of the infrared spectrum further comprises selecting polysaccharides that have a particular drift time and mass (SUMMARY OF INVENTION 5th paragraph, US10845337B2) Drift time/ mass is a known method of separating isobars while drift time can separate Isomers. (performing isomer or isobar separation on molecules to obtain separate isomeric or isobaric molecules (Claim 19, 32) performing isomer or isobar separation on the unrecorded molecules to obtain separate isomeric or isobaric unrecorded molecules (Claim 19, 32) performing isomer or isobar separation of the structurally characteristic fragments, after the step of fragmenting, the performing done by ion mobility spectrometry (IMS). (claim 24) wherein the step of performing isomer or isobar separation includes at least one of ion mobility spectrometry (IMS), liquid chromatography (LC), gas chromatography (GC), and/or capillary electrophoresis (CE) (Claim 31) wherein the molecules are selected from a list comprising at least one of oligosaccharides, glycans, polypeptides, nucleic acids, lipids, primary metabolites, and/or secondary metabolites. (Claim 30) a device for performing at least one of ion mobility spectrometry (IMS), liquid chromatography (LC), gas chromatography (GC), and/or capillary electrophoresis (CE) on molecules (Claim 35) US10845337B2 also teaches In a further preferred embodiment, the determination of the infrared spectrum further comprises selecting polysaccharides that have a particular drift time and mass; injecting the selected polysaccharides into a cryogenic ion trap, in which they are confined, collisionally cooled and tagged by at least one messenger molecule; irradiating the tagged polysaccharides with an infrared laser to excite them vibrationally; and injecting the irradiated polysaccharides into a time-of-flight mass spectrometer configured to detect a number of polysaccharides at masses of both the tagged and untagged polysaccharides. he invention provides a single instrument to measure all of the above quantities (mass, average cross section, and infrared spectrum). As shown in FIG. 1a , the single instrument combines an electrospray ion source with an Ion Mobility Spectrometry (IMS) drift-tube and a cryogenic ion trap. Liquid samples are volatilized by electrospray ionization and injected as a packet into the ion mobility spectrometry drift-tube. From the drift time through the drift-tube at a constant pressure of a bath gas (which is typically, but not exclusively helium) we determine the rotationally averaged cross section. Upon exit of the drift-tube, the ions are bent 90° and passed through a quadrupole mass filter, which selects their mass. Ions of a particular drift time and mass are then injected into the cryogenic ion trap, in which they are confined and collisionally cooled to ˜15 K and tagged by one or more messenger molecules, which is typically, but not exclusively, hydrogen, deuterium, or nitrogen. After irradiation with the IR laser pulse, the ions are injected into a time-of-flight (TOF) mass spectrometer (FIG. 1a ), which detects the number of ions at the masses of both the tagged and untagged ions. This process is repeated with subsequent packets of ions while the laser frequency is scanned. Plotting the depletion in the number of tagged ions as a function of the laser frequency (or wavenumber) produces a vibrational spectrum of the polysaccharide. As shown below, this spectrum provides a unique fingerprint of the molecule that is sensitive to the monosaccharide content, sequence, attachment points and stereochemistry of the glycosidic linkages, and the presence (and location) of different functional groups. (Specification, wherein the step of measuring includes cryogenic ion spectroscopy, the cryogenic ion spectroscopy including the steps of storing ions in a cryogenic ion trap;cooling ions by collisions with a cold buffer gas;tagging cold ions by one or multiple tag molecules;irradiating ions with photons from a laser source; and recording the wavelength-dependent depletion of tagged cold ions using a mass spectrometer.(Claim 27) a device for performing infrared (IR) spectroscopic fingerprinting of molecules; and (Claim 35) a computing device having access to a database, the computing device configured to record IR fingerprints of separated species in the database, configured to record IR fingerprints and mass-to-charge ratios (m/z) of new, structurally characteristic fragments in the database, and/or comparing fragment IR fingerprints to database fingerprints, determining the original structure of the unknown molecules. (Claim 35) US10845337B2 also teaches measure the mass, the rotationally averaged cross section, and the infrared spectrum and create a polysaccharide database as reference for subsequent use. (background) A method for a structural characterization of polysaccharides, comprising steps of characterizing a polysaccharide by physical measurements comprising a determination of a mass of the polysaccharide by means of mass spectrometry, a further determination of a rotationally averaged cross section of the polysaccharide by means of ion mobility spectrometry, and an infrared spectrum of the polysaccharide by means of cryogenic, messenger-tagging IR spectroscopy, measuring mass-to-charge ratios (m/z) through mass spectrometry and performing infrared (IR) spectroscopy to obtain IR fingerprints of the separate isomeric or isobaric molecules (Claim 19, 32) measuring mass-to-charge ratios (m/z) through mass spectrometry and performing infrared (IR) spectroscopy to obtain IR fingerprints of the structurally characteristic fragments of the unrecorded molecules (Claim 19, 32) US10845337B2 also teaches the invention enables the construction of a database of collisional cross sections and spectroscopic fingerprints to allow the identification of polysaccharides (Summary, storing first data on the mass-to-charge ratios (m/z) and the IR fingerprints of the separate isomeric or isobaric molecules to a database, thereby obtaining recorded molecules; and (Claim 19, 32)
US10845337B2 et al. does not explicitly teach
identifying unrecorded molecules that have not yet been recorded to the database, the step of identifying including (Claim 19, 32)
measuring mass-to-charge ratios (m/z) through mass spectrometry and performing infrared (IR) spectroscopy to obtain IR fingerprints of the structurally characteristic fragments of the unrecorded molecules, (Claim 19, 32)
storing second data on the mass-to-charge ratios (m/z) and the IR fingerprints of the structurally characteristic fragments of the unrecorded molecules to a memory, (Claim 19, 32)
fragmenting the unrecorded molecules into structurally characteristic fragments, the structurally characteristic fragments corresponding to the molecules previously recorded in the database, (Claim 19, 32)
storing third data on the mass-to-charge ratios (m/z) and the IR fingerprints of the new set of recorded molecules to the database, after the step of determining. (Claim 20)
performing isomer or isobar separation on the unknown molecules to obtain separate isomeric or isobaric unknown molecules, measuring mass-to-charge ratios (m/z) through mass spectrometry and performing infrared (IR) spectroscopy to obtain IR fingerprints of the separate isomeric or isobaric unknown molecules, storing fourth data on the mass-to-charge ratios (m/z) and the IR fingerprints of the separate isomeric or isobaric unknown molecules to a memory, and comparing the fourth data with the third data of the database to identify the unknown molecules. (Claim 21)
performing isomer or isobar separation on the new set of recorded molecules from the step of determining, to obtain separate isomeric or isobaric species of the new set of recorded molecules; fragmenting the new set of recorded molecules into structurally characteristic fragments that were not previously recorded; measuring mass-to-charge ratios (m/z) through mass spectrometry and performing infrared (IR) spectroscopy to obtain IR fingerprints of the structurally characteristic fragments of the new set of recorded molecules; and storing fifth data on the mass-to-charge ratios (m/z) and the IR fingerprints of the structurally characteristic fragments of the new set of recorded molecules to the database. (Claim 22)
performing isomer or isobar separation on molecules serving as an analytical standard, to obtain separate isomeric or isobaric molecules serving as the analytical standard; fragmenting the separate isomeric or isobaric molecules into structurally characteristic fragments that were not previously recorded; measuring mass-to-charge ratios (m/z) through mass spectrometry and performing infrared (IR) spectroscopy to obtain IR fingerprints of the structurally characteristic fragments of the separate isomeric or isobaric molecules; and storing sixth data on the mass-to-charge ratios (m/z) and the IR fingerprints of the structurally characteristic fragments of the separate isomeric or isobaric molecules, to include data on fragments of the analytical standards to the database. (Claim 23)
wherein the step of fragmenting includes at least one of collision-induced dissociation (CID), collision-activated dissociation (CAD), surface-induced dissociation (SID), electron-capture dissociation (ECD), electron-transfer dissociation (ETD), and/or dissociation induced by the absorption of photons. (Claim 25)
storing third data on the mass-to-charge ratios (m/z) and the IR fingerprints of the new set of recorded molecules to the database, after the step of determining. (Claim 33)
identifying unknown molecules, the step of identifying including,instructing the performing of isomer or isobar separation on the unknown molecules to obtain separate isomeric or isobaric unknown molecules,instructing the measuring of mass-to-charge ratios (m/z) through mass spectrometry and the performing infrared (IR) spectroscopy to obtain IR fingerprints of the separate isomeric or isobaric unknown molecules,storing fourth data on the mass-to-charge ratios (m/z) and the IR fingerprints of the separate isomeric or isobaric unknown molecules to a memory, andcomparing the fourth data with the third data of the database to identify the unknown molecules.(Claim 34)
a device for performing fragmentation of molecules including at least one of collision-induced dissociation (CID), collision-activated dissociation (CAD), surface-induced dissociation (SID), electron-capture dissociation (ECD), electron-transfer dissociation (ETD), and/or dissociation induced by the absorption of photons and a computing device having access to a database, the computing device configured to record IR fingerprints of separated species in the database, configured to record IR fingerprints and mass-to-charge ratios (m/z) of new, structurally characteristic fragments in the database, and/or comparing fragment IR fingerprints to database fingerprints, determining the original structure of the unknown molecules. (Claim 35) US10845337B2 does not teach the use of fragmentation in identifying molecules.
wherein the step of measuring includes spectroscopy at photon energies ranging from 500 cm−1 to 4000 cm−4. (claim 28),
wherein the step of measuring includes spectroscopy at photon energies ranging from 3250 cm−1 to 3750 cm−1. (Claim 29)
wherein the step of measuring includes infrared multiple photon dissociation (IRMPD), irradiating molecular ions with photons from a laser source, and monitoring and recording the wavelength-dependent fragmentation yield of the precursor ions using a mass spectrometer (Claim 26)
With respect to the limitations of Claims 19, 32, 20, 21,27, 29, 33, Masellis et al. teaches high-resolution IMS and MS provides a powerful method to identify glycans. These proof-of-principle experiments demonstrated that we could successfully identify six isomeric disaccharides, proving that this technique is sensitive enough to distinguish compositional isomers, which is a difficult challenge for most MS- and IMS-based techniques. We have also shown that this method can be applied to larger glycans. This will allow us to produce a database of vibrational fingerprints, CCSs, and masses for direct glycan identification without the need for chemical derivatization. Moreover, the ability to perform such experiments close to liquid nitrogen temperature should make this technique more broadly accessible. Finally, when combined with selective enzymatic hydrolysis schemes, our approach should allow the structural characterization of unknown glycans and their incorporation into our database. (Conclusion). This also teaches the principle of adding new unknown compounds to an existing database. The present work, we use messenger-tagging infrared spectroscopy in a cryogenic ion trap in combination with IMS–MS to identify and characterize glycans. The addition of the high-resolution spectroscopic dimension to mass and CCS measurements allows us to uniquely distinguish isomeric glycans that differ by their stereochemistry, linkage points, monosaccharide content, or primary sequence. The ultimate aim of this work is to acquire such data for standard glycans of known structure and create a database that can be further used to determine the composition of an unknown sample or mixture. (Introduction 3rd paragraph). Figure 2 shows IR measurements from 3200 cm-1 to 3750 cm-1(identifying unrecorded molecules that have not yet been recorded to the database, the step of identifying including (Claim 19, 32) storing third data on the mass-to-charge ratios (m/z) and the IR fingerprints of the new set of recorded molecules to the database, after the step of determining. (Claim 20) identifying unknown molecules, the step of identifying including (claim 21) storing third data on the mass-to-charge ratios (m/z) and the IR fingerprints of the new set of recorded molecules to the database, after the step of determining. (Claim 33), wherein the step of measuring includes cryogenic ion spectroscopy, the cryogenic ion spectroscopy including the steps of storing ions in a cryogenic ion trap; cooling ions by collisions with a cold buffer gas; tagging cold ions by one or multiple tag molecules; irradiating ions with photons from a laser source; and recording the wavelength-dependent depletion of tagged cold ions using a mass spectrometer. (Claim 27) wherein the step of measuring includes spectroscopy at photon energies ranging from 500 cm−1 to 4000 cm−4. (claim 28), wherein the step of measuring includes spectroscopy at photon energies ranging from 3250 cm−1 to 3750 cm−1. (Claim 29)
With respect to the limitations of Claims 19, 32, 21, 22, 23, 25, 26, 27, 34 ,35, Bansal et al. teaches here the design of a SLIM board containing a series of on-board traps in which we perform collision-induced dissociation (CID) at pressures in the millibar range. We characterize the on-board CID process by comparing the fragments generated from a pentapeptide to those obtained on a commercial tandem mass spectrometer. We then apply our new technique to study the mobility and vibrational spectra of CID fragments from two human milk oligosaccharides. Comparison of both the fragment drift times and IR spectra with those of suitable reference compounds allows us to identify their specific isomeric form, including the anomericity of the glycosidic linkage, demonstrating the power of this tool for glycan analysis. (abstract) demonstrated a new approach for glycan identification by combining IMS-IMS with cryogenic IR spectroscopy. The first results illustrate the ability of this tool to address fundamental questions regarding the fragmentation mechanism of the glycosidic linkage. In the case of the tetrasaccharide LnNT, we found that the anomeric configuration of the glycosidic bond is preserved upon generation of the C2 fragment; we could make this assignment on the basis of either the fragment ATD or its cryogenic vibrational spectrum. We also used this new tool to study a larger glycan, LNH, where there is a possibility to generate isomeric fragments. Ultrahigh-resolution IMS combined with cryogenic vibrational spectroscopy shows that at least three distinct isomers of the Y2 fragment of LNH exist, and that none of them result from the loss of the upper branch. More generally, having the ability to separate isomeric fragments based upon high-resolution ion mobility allows us to record their spectroscopic fingerprint, and this is particularly important for those for which standards are not available commercially. Our ultimate goal is to develop an (IMS)n technique combined with cryogenic infrared spectroscopy, where a parent glycan of unknown structure is first mobility selected and fragmented. The fragments then can be retrapped, fragmented further, and mobility separated such that an IR spectrum could be obtained on the next generation of fragments. This approach would help us to create a complete database of all possible fragments, which in the case of Cn fragments, provides information about the stereochemistry of glycosidic bonds. Such a database should facilitate reconstruction of the parent glycan structure. Once this is determined, the vibrational spectrum of the parent glycan can then be put in a database and used for identification. (Conclusion) A variety of dissociation techniques have been employed for tandem MS of glycans, including collision induced dissociation (CID), infrared multiphoton dissociation (IRMPD), and electron based methods. While CID is the most common method used in tandem MS, it induces fragmentation primarily at the glycosidic linkage in positively charged glycans. It has been largely assumed that cross-ring fragmentation is necessary to obtain information on the anomericity of the glycosidic bonds, and this has led to CID investigations of anionic glycans as well as the use of electron-based dissociation methods for cationic glycans. However, recent experiments from Compagnon and co-workers as well as those by Pellegrinelli et al. have shown that the anomericity of glycosidic bonds seem to be retained in the Cn fragments produced by CID, which renders this approach particularly powerful for glycan analysis (Section, paragraph 2). performing isomer or isobar separation on molecules to obtain separate isomeric or isobaric molecules; measuring mass-to-charge ratios (m/z) through mass spectrometry and performing infrared (IR) spectroscopy to obtain IR fingerprints of the separate isomeric or isobaric molecules; storing first data on the mass-to-charge ratios (m/z) and the IR fingerprints of the separate isomeric or isobaric molecules to a database, thereby obtaining recorded molecules; and identifying unrecorded molecules that have not yet been recorded to the database, the step of identifying including, performing isomer or isobar separation on the unrecorded molecules to obtain separate isomeric or isobaric unrecorded molecules, fragmenting the unrecorded molecules into structurally characteristic fragments, the structurally characteristic fragments corresponding to the molecules previously recorded in the database, measuring mass-to-charge ratios (m/z) through mass spectrometry and performing infrared (IR) spectroscopy to obtain IR fingerprints of the structurally characteristic fragments of the unrecorded molecules,storing second data on the mass-to-charge ratios (m/z) and the IR fingerprints of the structurally characteristic fragments of the unrecorded molecules to a memory, identifying the structurally characteristic fragments by comparing the second data with the first data on the mass-to-charge ratios (m/z) and the IR fingerprints of the database, determining an original structure of the unrecorded molecules based on the structurally characteristic fragments of the step of identifying, to obtain a new set of recorded molecules. (Claim 19, 32) performing isomer or isobar separation on the unknown molecules to obtain separate isomeric or isobaric unknown molecules, measuring mass-to-charge ratios (m/z) through mass spectrometry and performing infrared (IR) spectroscopy to obtain IR fingerprints of the separate isomeric or isobaric unknown molecules, storing fourth data on the mass-to-charge ratios (m/z) and the IR fingerprints of the separate isomeric or isobaric unknown molecules to a memory, and comparing the fourth data with the third data of the database to identify the unknown molecules. (Claim 21) performing isomer or isobar separation on the new set of recorded molecules from the step of determining, to obtain separate isomeric or isobaric species of the new set of recorded molecules; fragmenting the new set of recorded molecules into structurally characteristic fragments that were not previously recorded; measuring mass-to-charge ratios (m/z) through mass spectrometry and performing infrared (IR) spectroscopy to obtain IR fingerprints of the structurally characteristic fragments of the new set of recorded molecules; and storing fifth data on the mass-to-charge ratios (m/z) and the IR fingerprints of the structurally characteristic fragments of the new set of recorded molecules to the database. (Claim 22) performing isomer or isobar separation on molecules serving as an analytical standard, to obtain separate isomeric or isobaric molecules serving as the analytical standard; fragmenting the separate isomeric or isobaric molecules into structurally characteristic fragments that were not previously recorded; measuring mass-to-charge ratios (m/z) through mass spectrometry and performing infrared (IR) spectroscopy to obtain IR fingerprints of the structurally characteristic fragments of the separate isomeric or isobaric molecules; and storing sixth data on the mass-to-charge ratios (m/z) and the IR fingerprints of the structurally characteristic fragments of the separate isomeric or isobaric molecules, to include data on fragments of the analytical standards to the database. (Claim 23) wherein the step of fragmenting includes at least one of collision-induced dissociation (CID), collision-activated dissociation (CAD), surface-induced dissociation (SID), electron-capture dissociation (ECD), electron-transfer dissociation (ETD), and/or dissociation induced by the absorption of photons. (claim 25) wherein the step of measuring includes cryogenic ion spectroscopy, the cryogenic ion spectroscopy including the steps of storing ions in a cryogenic ion trap; cooling ions by collisions with a cold buffer gas; tagging cold ions by one or multiple tag molecules; irradiating ions with photons from a laser source; and recording the wavelength-dependent depletion of tagged cold ions using a mass spectrometer.(Claim 27) identifying unknown molecules, the step of identifying including, instructing the performing of isomer or isobar separation on the unknown molecules to obtain separate isomeric or isobaric unknown molecules, instructing the measuring of mass-to-charge ratios (m/z) through mass spectrometry and the performing infrared (IR) spectroscopy to obtain IR fingerprints of the separate isomeric or isobaric unknown molecules, storing fourth data on the mass-to-charge ratios (m/z) and the IR fingerprints of the separate isomeric or isobaric unknown molecules to a memory, and comparing the fourth data with the third data of the database to identify the unknown molecules.(Claim 34) a device for performing at least one of ion mobility spectrometry (IMS), liquid chromatography (LC), gas chromatography (GC), and/or capillary electrophoresis (CE) on molecules; a device for performing fragmentation of molecules including at least one of collision-induced dissociation (CID), collision-activated dissociation (CAD), surface-induced dissociation (SID), electron-capture dissociation (ECD), electron-transfer dissociation (ETD), and/or dissociation induced by the absorption of photons; a device for performing infrared (IR) spectroscopic fingerprinting of molecules; and a computing device having access to a database, the computing device configured to record IR fingerprints of separated species in the database, configured to record IR fingerprints and mass-to-charge ratios (m/z) of new, structurally characteristic fragments in the database, and/or comparing fragment IR fingerprints to database fingerprints, determining the original structure of the unknown molecules. (Claim 35) wherein the step of measuring includes infrared multiple photon dissociation (IRMPD), irradiating molecular ions with photons from a laser source, and monitoring and recording the wavelength-dependent fragmentation yield of the precursor ions using a mass spectrometer (Claim 26)
A person of ordinary skill in the art would be motivated to combine US10845337B2 in view of Bansal et al. in view of Masellis et al. because each work is in the same field of endeavor of identifying unknown molecules using previously identified molecules and data patterns. US10845337B2 teaches creating a database and identifying unknown metabolites from that database using both mass spectrometry and IR. Bansal et al. teaches the use of isomer/isobar separation while using IR and MS fragmentation to identify molecules. It uses both IR spectra, mass selection and fragmentation as well as ion mobility to identify unique molecules. Masellis et al. teaches the identification of unknown molecules and adding them into the database for future identification. Additionally, it is obvious for a person of ordinary skill in the art as well as routine optimization to add unknown molecules to the database once they have been identified through other methods as well as specific ranges for the IR method. Each method works independently and when combined the individual functions do not change. Therefore, there is a reasonable expectation of success when they are put together.
Conclusion
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/C.H.B./Examiner, Art Unit 1687
/Karlheinz R. Skowronek/Supervisory Patent Examiner, Art Unit 1687
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