Abstract: An apparatus comprises a thermally conductive receptacle holder including a plurality of receptacle wells configured to receive receptacles, a plurality of optical fibers having first and second ends, wherein each first end is in optical communication with one of the receptacle wells and each second end is in optical communication with an excitation signal source and/or an emission signal detector, one or more thermal elements positioned proximal to the receptacle holder for altering the temperature of the receptacle holder, a heat sink in thermal communication with the receptacle holder, and one or more thermal devices disposed within the heat sink for pre-heating the heat sink.

Abstract: An apparatus for incubating a plurality of receptacles includes one or more thermally-conductive receptacle holders, each comprising a plurality of receptacle wells. A thermally-conductive support is associated with each of the receptacle holders, and a thermal element is positioned between the associated support and the receptacle holder. A heat sink is in thermal communication with the support and comprises a plurality of spaced-apart fins. An optical fiber associated with each receptacle well has a first end positioned adjacent to or within a through-hole formed in the receptacle well and extends through through-holes formed in the support and the heat sink aligned with the through-hole of the receptacle well. Each of the optical fibers is positioned between two adjacent fins of the plurality of fins.

Abstract: A first time/temperature data set includes temperatures and time stamps recorded at time intervals during a first thermal cycling process and a time stamp for each time interval, and a second time/temperature data set includes temperatures and time stamps recorded at time intervals during a second thermal cycling process. Signal emissions at different signal detecting positions are sequentially measured at different time intervals to generate first and second time/signal emission data sets for receptacles subject to the first and second thermal cycling processes, respectively. Signal emissions of receptacles subject to the first thermal cycling process are synchronized with specific temperatures of the first thermal cycling process by comparing time stamps of the first time/signal emission data set for each receptacle with the time stamps of the first time/temperature data set that correspond with the specific temperature.

Abstract: There is provided a method of analysis of mass spectrometry data comprising obtaining raw experimental mass spectrometry data; performing a first deconvolution of the raw experimental mass spectrometry data using a deconvolution algorithm, a wide first input parameter set, and a wide first output parameter set to obtain a deconvolved output; obtaining discrete peak data from the deconvolved output; simulating raw data for a first peak of the discrete peak data to obtain reference simulated raw discrete data; simulating raw data for a second peak of the discrete peak data to obtain suspect simulated raw discrete data; and determining whether the second peak is likely an artefact or indicative of a mass by comparing the suspect simulated raw discrete data with the reference simulated raw discrete data.

Abstract: Disclosed herein are various methods and apparatus for performing charge detection mass spectrometry (CDMS). In particular, techniques are disclosed for monitoring a detector signal from a CDMS device to determine how many ions are present in the ion trap (10) of the CDMS device. For example, if no ions are present the measurement can then be terminated early. Similarly, if more than one ion is present, the measurement can be terminated early, or ions can be removed from the trap (10) until only a single ion remains. Techniques are also provided for increasing the probability of there being a single ion in the trap (10). A technique for attenuating an ion beam is also provided.

Abstract: A method of analysing high-mass (>1 MDa) particles comprises ionising particles to as to produce ions, separating the ions according to mass to charge ratio by passing the ions through an ion separation device in which one or more time-varying electric fields is used to urge ions through a gas such that ions are separated according to mass to charge ratio, measuring the transit time of the ions through the ion separation device, and determining a drift time or mass to charge ratio distribution of the ions therefrom. The method further comprises identifying one or more charge envelopes in the drift time or mass to charge ratio distribution, and using the one or more charge envelopes to characterise the particles.

Abstract: The disclosure concerns snake-derived peptides and the useful application of such peptides to inhibit bacterial, fungal, viral and parasitic infections. The disclosed peptides are also useful for the treatment of an inflammatory condition or cancers.

Abstract: A method of mass spectrometry is disclosed comprising: performing a plurality of cycles of operation during a single experimental run, wherein each cycle comprises: mass selectively transmitting precursor ions of a single mass, or range of masses, through or out of a mass separator or mass filter at any given time, wherein the mass separator or mass filter is operated such that the single mass or range of masses transmitted therefrom is varied with time; and mass analysing ions.

Abstract: Disclosed herein are various methods and apparatus for performing charge detection mass spectrometry (CDMS). In particular, techniques are disclosed for monitoring a detector signal from a CDMS device to determine how many ions are present in the ion trap (10) of the CDMS device. For example, if no ions are present the measurement can then be terminated early. Similarly, if more than one ion is present, the measurement can be terminated early, or ions can be removed from the trap (10) until only a single ion remains. Techniques are also provided for increasing the probability of there being a single ion in the trap (10). A technique for attenuating an ion beam is also provided.

Abstract: A method of mass spectrometry is disclosed comprising: a) providing temporally separated precursor ions; b) mass analyzing separated precursor ions, and/or product ions derived therefrom, during a plurality of sequential acquisition periods, wherein the value of an operational parameter of the spectrometer is varied during the different acquisition periods; c) storing the spectral data obtained in each acquisition period along with its respective value of the operational parameter; d) interrogating the stored spectral data and determining which of the spectral data for a precursor ion or product ions meets a predetermined criterion, and determining the value of the operational parameter that provides this mass spectral data as a target operational parameter value; and e) mass analyzing again the precursor or product ions whilst the operational parameter is set to the target operational parameter value.

Abstract: A method of encoding a parent or precursor ion beam to aid product ion assignment is disclosed. According to an embodiment the energy of parent ions entering a collision cell 3 is progressively increased. Different species of parent ions fragment at different collision energies. Fragment ion intensity profiles are matched with parent ion intensity profiles to correlate fragment ions with corresponding parent ions.

Abstract: An instrument for analysing ions is disclosed comprising: a first device (4) configured to onwardly transmit ions having a restricted range of physicochemical property values at any given time, and to change said range with time such that the first device (4) is capable of transmitting ions having different physicochemical property values at different times; and an ion mobility separator (6) arranged to receive ions transmitted by the first device (4); wherein the instrument is configured such that the time that any given ion enters the ion mobility separator (6) and begins to be separated from other ions is defined by its time of transmission by the first device.

Abstract: A method of mass spectrometry is disclosed comprising: performing a plurality of cycles of operation during a single experimental run, wherein each cycle comprises: mass selectively transmitting precursor ions of a single mass, or range of masses, through or out of a mass separator or mass filter at any given time, wherein the mass separator or mass filter is operated such that the single mass or range of masses transmitted therefrom is varied with time; and mass analysing ions.

Abstract: Exemplary embodiments pertain to methods, mediums, and systems for using molecular properties of chemical compounds to quantify error or variation in collision cross-section predictions. For example, the CCS prediction may determine a location of charge on the compound, and the molecular properties (such as the length normalized residue value or Van der Waals volume of the compound) may be used to assign an error value to the prediction. These error values may be used to build a model of the chemical compound using the error or variance, where the compound is capable of exhibiting more than one value for the CCS value.

Abstract: A method of analysis using mass spectrometry and/or ion mobility spectrometry is disclosed. The method comprises: using a first device to generate smoke, aerosol or vapour from a target comprising or consisting of a microbial population; mass analysing and/or ion mobility analysing said smoke, aerosol or vapour, or ions derived therefrom, in order to obtain spectrometric data; and analysing said spectrometric data in order to analyse said microbial population.

Abstract: A method of analysis using mass spectrometry and/or ion mobility spectrometry is disclosed comprising: (a) using a first device to generate smoke, aerosol or vapour from a target in vitro or ex vivo cell population; (b) mass analysing and/or ion mobility analysing said smoke, aerosol or vapour, or ions derived therefrom, in order to obtain spectrometric data; and (c) analysing said spectrometric data in order to identify and/or characterise said target cell population or one or more cells and/or compounds present in said target cell population.

Abstract: A method of mass spectrometry is disclosed comprising: a) providing temporally separated precursor ions; b) mass analyzing separated precursor ions, and/or product ions derived therefrom, during a plurality of sequential acquisition periods, wherein the value of an operational parameter of the spectrometer is varied during the different acquisition periods; c) storing the spectral data obtained in each acquisition period along with its respective value of the operational parameter; d) interrogating the stored spectral data and determining which of the spectral data for a precursor ion or product ions meets a predetermined criterion, and determining the value of the operational parameter that provides this mass spectral data as a target operational parameter value; and e) mass analyzing again the precursor or product ions whilst the operational parameter is set to the target operational parameter value.

Abstract: Provided herein are methods, techniques and processes for selecting one or more peptides for virus detection (e.g., influenza, SARS-CoV-2) in clinical samples using mass spectrometry. Methods for selecting a combination of peptides to identify one or more disease states in a patient can include: (i) selecting the one or more disease states; (ii) collecting information on proteins associated with the one or more disease states being present within the subject; (ii) in silico digesting individual proteins associated with the one or more disease state to obtain possible workflow peptides; (iv) collecting filtering data associated with the possible workflow peptides; (iv) analyzing the possible workflow peptides for coverage of the one or more disease states and for mass spectrometry detection and resolution; and (iv) selecting the combination of peptides from the possible workflow peptides based on the analyzing step.

Abstract: The disclosure concerns snake-derived peptides and the useful application of such peptides to inhibit bacterial, fungal, viral and parasitic infections. The disclosed peptides are also useful for the treatment of an inflammatory condition or cancers.

Abstract: A method of analysis using mass spectrometry and/or ion mobility spectrometry is disclosed. The method comprises: using a first device to generate smoke, aerosol or vapour from a target comprising or consisting of a microbial population; mass analysing and/or ion mobility analysing said smoke, aerosol or vapour, or ions derived therefrom, in order to obtain spectrometric data; and analysing said spectrometric data in order to analyse said microbial population.