The aim of this paper was to assess the prebiotic properties of lactobionic acid in the human gastrointestinal model. Five different strains of probiotic, or potentially probiotic, bacteria were used in the microencapsulation process; these were Lactobacillus casei Shirota, Lactococcus lactis ATCC1, Lactobacillus fermentum, Bifidobacterium bifidum DSM 20456, and Bifidobacterium bifidum DSM 20082. Starch with a concentration of 4% (w/v) and a degree of substitution of 0.03 was used to produce the microcapsules. The alginian microcapsules we produced functioned as a protective barrier for the probiotic microorganisms closed in them, protecting them from adverse conditions in the human digestive tract. The microorganisms could thus survive the encapsulation process and the in vitro model digestion process while retaining the ability to produce biomass. Factors such as pH and time affect the solution of alginate microcapsules. The capsule solution began when a pH of 7.4 was reached; this corresponded to pH in the target probiotic site, an in vitro model of the colon. The capsules had completely dissolved after 24 h of digestion at a pH of 8. The addition of lactobionic acid stimulated the growth of probiotic and potentially probiotic bacteria, thus confirming its prebiotic properties.
Magnetization dynamics of transition metal complexes manifest in properties and phenomena of fundamental and applied interest (e.g., slow magnetic relaxation in single molecule magnets (SMMs), quantum coherence in quantum bits (qubits), and intersystem crossing (ISC) rates in photophysics). While spin–phonon coupling is recognized as an important determinant of these dynamics, additional fundamental studies are required to unravel the nature of the coupling and thus leverage it in molecular engineering approaches. To this end, we describe here a combined ligand field theory and multireference <i>ab initio</i> model to define spin–phonon coupling terms in S = 2 transition metal complexes and demonstrate how couplings originate from both the static and dynamic properties of ground and excited states. By extending concepts to spin conversion processes, ligand field dynamics manifest in the evolution of the excited state origins of zero-field splitting (ZFS) along specific normal mode potential energy surfaces. Dynamic ZFSs provide a powerful means to independently evaluate contributions from spin-allowed and/or -forbidden excited states to spin–phonon coupling terms. Furthermore, ratios between various intramolecular coupling terms for a given mode drive spin conversion processes in transition metal complexes and can be used to analyze mechanisms of ISC. Variations in geometric structure strongly influence the relative intramolecular linear spin–phonon coupling terms and will thus define the overall spin state dynamics. While of general importance for understanding magnetization dynamics, this study links the phenomenon of spin–phonon coupling across fields of single molecule magnetism, quantum materials/qubits, and transition metal photophysics.
Magnetization dynamics of transition metal complexes manifest in properties and phenomena of fundamental and applied interest (e.g., slow magnetic relaxation in single molecule magnets (SMMs), quantum coherence in quantum bits (qubits), and intersystem crossing (ISC) rates in photophysics). While spin–phonon coupling is recognized as an important determinant of these dynamics, additional fundamental studies are required to unravel the nature of the coupling and thus leverage it in molecular engineering approaches. To this end, we describe here a combined ligand field theory and multireference <i>ab initio</i> model to define spin–phonon coupling terms in S = 2 transition metal complexes and demonstrate how couplings originate from both the static and dynamic properties of ground and excited states. By extending concepts to spin conversion processes, ligand field dynamics manifest in the evolution of the excited state origins of zero-field splitting (ZFS) along specific normal mode potential energy surfaces. Dynamic ZFSs provide a powerful means to independently evaluate contributions from spin-allowed and/or -forbidden excited states to spin–phonon coupling terms. Furthermore, ratios between various intramolecular coupling terms for a given mode drive spin conversion processes in transition metal complexes and can be used to analyze mechanisms of ISC. Variations in geometric structure strongly influence the relative intramolecular linear spin–phonon coupling terms and will thus define the overall spin state dynamics. While of general importance for understanding magnetization dynamics, this study links the phenomenon of spin–phonon coupling across fields of single molecule magnetism, quantum materials/qubits, and transition metal photophysics.
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