Calculating molar mass values of components of and molar mass concentration values of conjugate molecules/particles

A computer implemented method comprising:

• receiving, by the computer system, from a dRI detector ΔRI values for conjugate molecules/particles with respect to a solvent containing the conjugate molecules/particles,
• wherein the conjugate molecules/particles comprises wavelength absorbing components and non-wavelength absorbing components and are separated according to size by a separation device;
• receiving, by the computer system, from a wavelength absorption detector ΔUV values for the conjugate molecules/particles;
• receiving, by the computer system, from a SLS instrument reduced Rayleigh ratio, R(θ), values with respect to the conjugate molecules/particles and the solvent;
• receiving, by the computer system, a dn/dc value for the wavelength absorbing components, dn/dc1, and a dn/dc value for the non-wavelength absorbing components, dn/dc2, from a dn/dc data source;
• receiving, by the computer system, an absorbing extinction coefficient (aEC) value for the wavelength absorbing components, α1, from an aEC data source;
• receiving, by the computer system, a scattering correction factor value for the wavelength absorbing components, D, from a D data source;
• receiving, by the computer system, a fit function, sEC=f(M), for non-wavelength absorbing molecules/particles from a f(M) data source,
• wherein the non-wavelength absorbing molecules/particles comprise the non-wavelength absorbing components;
• and
• executing, by the computer system, a set of logical operations performing conjugate analysis on the ΔRI values, the ΔUV values, the R(θ) values, the dn/dc1 value, the dn/dc2 value, the α1 value, and the D value, with respect to the fit function, sEC=f(M),
• resulting in molar mass values of the wavelength absorbing components, M1, molar mass values of the non-wavelength absorbing components, M2, and molar concentration values of the conjugate molecules/particles, [conj].

A system comprising:

• a memory;
• and
• a processor in communication with the memory, the processor configured to perform a method comprising
• receiving ΔRI values from a differential refractive index (dRI) detector, ΔUV values from a wavelength absorption (UV) detector, and reduced Rayleigh ratio, R(θ), values from a static light scattering (SLS) instrument, for non-wavelength absorbing molecules/particles,
• wherein the non-wavelength absorbing molecules/particles range in size from a lower size limit to an upper size limit and are separated according to size (e.g., radius) by a separation device (e.g., FFF, size exclusion chromatography),
• calculating apparent scattering extinction coefficient values of the non-wavelength absorbing molecules/particles, sEC, and molar mass values of the non-wavelength absorbing molecules/particles, M, with respect to the ΔRI values, the ΔUV values, and the R(θ) values,
• executing a set of logical operations fitting the sEC values and the M values to a fit equation,
• resulting in a correlation between the sEC values and the M values,
• resulting in a fit function, sEC=f(M), for the non-wavelength absorbing molecules/particles,
• receiving from a second dRI detector second ΔRI values for conjugate molecules/particles with respect to a solvent containing the conjugate molecules/particles,
• wherein the conjugate molecules/particles comprise wavelength absorbing components and non-wavelength absorbing components and are separated according to size y a second separation device,
• receiving from a second wavelength absorption detector second ΔUV values for the conjugate molecules/particles,
• receiving from a second SLS instrument second reduced Rayleigh ratio, R(θ), values with respect to the conjugate molecules/particles and the solvent,
• receiving a dn/dc value for the wavelength absorbing components, dn/dc1, and a dn/dc value for the non-wavelength absorbing components, dn/dc2, from a dn/dc data source,
• receiving an absorbing extinction coefficient (aEC) value for the wavelength absorbing components, α1, from an aEC data source,
• receiving a scattering correction factor value for the wavelength absorbing components, D, from a D data source, and
• executing a set of logical operations performing conjugate analysis on the second ΔRI values, the second ΔUV values, the second R(θ) values, the dn/dc1 value, the dn/dc2 value, the α1 value, and the D value, with respect to the fit function, sEC=f(M),
• resulting in molar mass values of the wavelength absorbing components, M1, molar mass values of the non-wavelength absorbing components, M2, and molar concentration values of the conjugate molecules/particles, [conj].

A computer program product comprising a computer readable storage medium having program instructions embodied therewith, the program instructions executable by a processor to cause the processor to perform a method comprising:

• receiving ΔRI values from a differential refractive index (dRI) detector, ΔUV values from a wavelength absorption (UV) detector, and reduced Rayleigh ratio, R(θ), values from a static light scattering (SLS) instrument, for non-wavelength absorbing molecules/particles,
• wherein the non-wavelength absorbing molecules/particles range in size from a lower size limit to an upper size limit and are separated according to size;
• by a separation device;
• calculating apparent scattering extinction coefficient values of the non-wavelength absorbing molecules/particles, sEC, and molar mass values of the non-wavelength absorbing molecules/particles, M, with respect to the ΔRI values, the ΔUV values, and the R(θ) values;
• executing a set of logical operations fitting the sEC values and the M values to a fit equation,
• resulting in a correlation between the sEC values and the M values,
• resulting in a fit function, sEC=f(M), for the non-wavelength absorbing molecules/particles;
• receiving from a second dRI detector second ΔRI values for conjugate molecules/particles with respect to a solvent containing the conjugate molecules/particles,
• wherein the conjugate molecules/particles comprise wavelength absorbing components and non-wavelength absorbing components and are separated according to size by a second separation device;
• receiving from a second wavelength absorption detector second ΔUV values for the conjugate molecules/particles;
• receiving from a second SLS instrument second reduced Rayleigh ratio, R(θ), values with respect to the conjugate molecules/particles and the solvent;
• receiving a dn/dc value for the wavelength absorbing components, dn/dc1, and a dn/dc value for the non-wavelength absorbing components, dn/dc2, from a dn/dc data source
• receiving an absorbing extinction coefficient (aEC) value for the wavelength absorbing components, α1, from an aEC data source
• receiving a scattering correction factor value for the wavelength absorbing components, D, from a D data source;
• and
• executing a set of logical operations performing conjugate analysis on the second ΔRI values, the second ΔUV values, the second R(θ) values, the dn/dc1 value, the dn/dc2 value, the α1 value, and the D value, with respect to the fit function, sEC=f(M),
• resulting in molar mass values of the wavelength absorbing components, M1, molar mass values of the non-wavelength absorbing components, M2, and molar concentration values of the conjugate molecules/particles, [conj].