Analysis Of Absorption Spectra Research Articles

Non-destructive diagnosis of Inflammatory Bowel Disease by near-infrared spectroscopy and aquaphotomics

Inflammatory Bowel Disease includes Crohn's Disease and Ulcerative Colitis. Currently, diagnosing involves a series of current diagnostic methods that are invasive, time-consuming, and expensive. Near-infrared spectroscopy and aquaphotomics can detect changes in biofluids and thus have the potential to diagnose disease. This study aimed to investigate the diagnostic ability of near infrared spectroscopy and aquaphotomics for Inflammatory Bowel Disease and its types. This method used blood plasma and saliva samples absorbance spectrum and multivariate analysis with the Principal Component Analysis and, Linear Discriminant Analysis, Quadratic Discriminant Analysis, and Support Vector Machine in the range 1300–1600 nm and 12 water absorbance bands in this range, separately. In the near-infrared range, total accuracy of 100% led to the separation of the healthy group and Inflammatory Bowel Disease and then the separation of the healthy group and patients with Ulcerative Colitis and Crohn's Disease. The aquaphotomics approach was used to investigate the changes in the 12 water absorbance bands and their impact on the accuracy of the diagnostic method. Aquaphotomics also detected 100% of the mentioned samples. We achieved a fast, accurate, non-invasive method based on near-infrared spectroscopy and aquaphotomics to diagnose Inflammatory Bowel Disease and its types using blood plasma or saliva samples. The current study found that monitoring blood plasma or saliva using near-infrared spectra offers an opportunity to thoroughly investigate biofluids and changes in their water spectral patterns caused by complex physiological changes due to Inflammatory Bowel Disease and its types, and to visualize these changes using aquagram.

Impact of the spatial structure of alkyl chains on properties of thiophene-substituted diketopyrrolopyrroles: Part II – Spectroscopic study

The study concerns the impact of a difference in geometry of the side alkyl chains of oligothiophene derivatives of diketopyrrolopyrrole (DPP) on their spectroscopic properties and aggregation in solutions, in Langmuir layers, and thin films. Using a combination of theoretical and experimental approaches, this study aims to explain the aggregating behaviour of thiophene-substituted DPP derivatives. Various methods were used to characterise the dyes, including absorption spectroscopy also with polarized light, fluorescence spectroscopy, Langmuir techniques, and time-dependent density functional theory (TD-DFT) calculations. The presented results emphasise a significant impact of side alkyl chains on DPP's molecular behaviour, notably evident in thin-layer structures. Interestingly, the deconvolution of the absorption spectra revealed three bands in the red region. Insightful analysis of temperature-dependent absorption, excitation, and emission fluorescence spectra indicates the co-existence of monomer, dimer, and a higher aggregate forms, most likely a tetrameric structures. Moreover, such a complexity of molecular organisation of dyes appears already in the solution. Differences in spectral properties of the dyes studied are robustly visible in changes in the spectra of the air–water interface, where the dye with the branched side group changes the mutual orientation in dimeric structures, leading to the formation of H-type aggregates, which was observed as an almost 20-nm spectral blue shift during Langmuir layer compression. The results presented highlight the need for care in interpretation of the intensity ratio of DPP spectra and spectral shift as the sole determinants of the aggregation state.

Synthesis, optical properties, DNA, β-cyclodextrin interactions, and antioxidant evaluation of novel isoxazolidine derivative (ISoXD2): A multispectral and computational analysis

ISoXD2 are well explored among versatile and outstanding class of pharmacophores for the preparation and discovery of drugs. Herein, the electronic absorption and emission spectra of ISoXD2 were investigated in three different solvents. The observed transition was attributed to π-π* with charge transfer character. Changes in the excited state and shift of the absorption and emission peaks to longer wavelengths are observed as a result of increasing solvent polarity, due to the interactions between the ISoXD2 molecule and the solvent molecules surrounding it. Changing the solvent confirms its solvatochromic effect. UV-vis and fluorescence analysis revealed that ISoXD2 binds to deoxyribonucleic acid (DNA) by intercalation mode, with a stoichiometric ratio of 1:1.5. Moreover, the fluorescence intensity of DNA bound to ethidium bromide (EB) in the presence of ISoXD2 was investigated. From this analysis, the Stern-Volmer quenching constant (Ksv), quenching rate constant (kq), binding constant (Kb) and binding sites number (n) were found to be 5.654 x 103 M-1, 2.827 × 1011 M-1 s-1, 3.81×104 M-1 and 1.225, respectively. The interaction between ISoXD2 and β-CD was investigated through absorption spectra analysis. Kb for this interaction was determined to be 4.9×104 M-1. The free radical-scavenging ability of the prepared ISoXD2, examined by DPPH and ABTS assays have shown a good antioxidant activity. Furthermore, modeling study was conducted to explore their plausible binding mechanism with ISoXD2 and to support the experimental results.

Photo-Physical Characteristics of Janus Green B in Different Solvents and its Interaction Mechanism with Silver Nanoparticles.

This work explores the effects of solvent polarity on Janus Green B (JGB) photophysical properties. The Lippert-Mataga, Billot, and Ravi equations were utilized to calculate the singlet-state excited dipole moments (µe) and ground state dipole moments (µg) using absorption and fluorescence spectra analyses. The results showed an increase in the former, which is suggestive of electronic structural alterations upon excitation. Analysis of fluorescence quantum yield values revealed that JGB's environment had an impact on its emission characteristics; it was particularly sensitive to silver nanoparticles, suggesting possible interactions. While simulations of electron density, electrostatic potential, and energy gap (Eg) helped to understand the electronic structure of JGB, theoretical absorption spectra produced by Time Dependent Density Function Theory (TD-DFT) calculations offered insights into electronic transitions during absorption. To sum up, the present study contributes to our comprehension of the molecular behavior of JGB in various solvents by elucidating the intricate relationship among solvent polarity, molecular environment, and interactions with silver nanoparticles. Additionally, theoretical computations support the interpretation of experimental results.

Skeletonema marinoi ecotypes show specific habitat-related responses to fluctuating light supporting high potential for growth under photobioreactor light regime.

Diatoms are a diverse group of phytoplankton usually dominating areas characterized by rapidly shifting light conditions. Because of their high growth rates and interesting biochemical profile, their biomass is considered for various commercial applications. This study aimed at identifyingstrains with superior growth in a photobioreactor (PBR) by screening the natural intraspecific diversity of ecotypes isolated from different habitats. We investigated the effect of PBR light fluctuating on a millisecond scale (FL, simulating the light in a PBR) on 19 ecotypes of the diatom Skeletonema marinoi isolated from the North Sea-Baltic Sea area. We compare growth, pigment ratios, phylogeny, photo-physiological variables and photoacclimation strategies between all strains and perform qPCR and absorption spectra analysis on a subset of strains. Our results show that the ecotypes responded differently to FL, and have contrasting photo-physiological and photoprotective strategies. The strains from Kattegat performed better in FL, and shared common photoacclimation and photoprotection strategies that are the results of adaptation to the specific light climate of the Kattegat area. The strains that performed better with FL conditions had a high light (HL)-acclimated phenotype coupled with unique nonphotochemical quenching features. Based on their characteristics, three strains were identified as good candidates for growth in PBRs.

A new treatment of telluric and stellar features for medium-resolution spectroscopy and molecular mapping

Molecular mapping is a supervised method exploiting the spectral diversity of integral field spectrographs to detect and characterise resolved exoplanets blurred into the stellar halo. We present an update to the method, aimed at removing the stellar halo and the nuisance of telluric features in the datacubes and accessing a continuum-subtracted spectra of the planets at R ~ 4000. We derived the planet atmosphere properties from a direct analysis of the planet telluric-corrected absorption spectrum. We applied our methods to the SINFONI observation of the planet β Pictoris b. We recovered the CO and H2O detections in the atmosphere of β Pic b by using molecular mapping. We further determined some basic properties of its atmosphere, with Teq=1748−4+3 K, sub-solar [Fe/H]=− 0.235−0.013+0.015 dex, and solar C/O=0.551 ±0.002. These results are in contrast to values measured for the same exoplanet with other infrared instruments. We confirmed a low projected equatorial velocity of 25−6+5 km s−1. We were also able to measure, for the first time and with a medium-resolution spectrograph, the radial velocity of β Pic b relative to the central star at MJD=56910.38 with a km s−1 precision of −11.3±1.1 km s−1. This result is compatible with the ephemerides, based on the current knowledge of the β Pic system.

Short notes: Inversion of exchange interaction sign of Nd3+ excited states and its manifestation in optical absorption spectra of NdFe3(BO3)4 crystal

Experimental studies and group-theoretical analysis of low-temperature optical absorption spectra of neodymium ferroborate crystal NdFe3(BO3)4 were carried out. It was shown that the sign of exchange interaction with the iron subsystem in an excited state of Nd3+ can be different from that in the ground state.

Synthesis of new [6]helicene derivatives for OLED applications. Experimental photophysical and chiroptical properties and theoretical investigation

Six-membered helicenes with specific functionalities were synthesized in good overall yields (40 %-73 %) through a concise photochemical method, allowing for their comprehensive characterization. The racemic mixtures were effectively resolved into their P- and M-enantiomers with high optical purity (97.56 %-100 % ee) by using chiral HPLC. This separation showcased remarkable optical activity, revealing substantial optical rotations (e.g., +2500–3000 for the (P)-enantiomer at λ = 589 nm) and notable electronic circular dichroism (ECD) signals. The organic helical species showed a strong absorption in the UV region and exhibited a red shifted emission, resulting in a quantum yield of 0.12–0.21. Moreover, they demonstrated irreversible one-electron oxidation and reduction processes, and their HOMO and LUMO energy levels were estimated via electrochemical methods. Utilizing DFT and TD–DFT computational approaches, we accurately predicted the electronic absorption and ECD spectra, as well as the frontier molecular orbitals (FMOs), aligning closely with experimental observations. Furthermore, in-depth analyses of absorption and ECD spectra, molecular electrostatic potential (MEP), and reduced density gradient (RDG) through quantum chemical calculations offered insights into the fundamental characteristics of these materials. The collective properties strongly indicate the potential application of these helicenes in electroluminescent and OLED devices, underscoring their promise as candidates in optoelectronic applications.

Synthesis and Characterization of Superhydrophobic Epoxy Resin Coating with SiO2@CuO/HDTMS for Enhanced Self-Cleaning, Photocatalytic, and Corrosion-Resistant Properties.

The exceptional corrosion resistance and combined physical and chemical self-cleaning capabilities of superhydrophobic photocatalytic coatings have sparked significant interest among researchers. In this paper, we propose an economical and eco-friendly superhydrophobic epoxy resin coating that incorporates SiO2@CuO/HDTMS nanoparticles modified with Hexadecyltrimethoxysilane (HDTMS). The application of superhydrophobic coatings effectively reduces the contact area between the metal surface and corrosive media, leading to a decreased corrosion rate. Additionally, the incorporation of nanomaterials, exemplified by SiO2@CuO core-shell nanoparticles, improves the adhesion and durability of the coatings on aluminum alloy substrates. Experimental data from Tafel curve analysis and electrochemical impedance spectroscopy (EIS) confirm the superior corrosion resistance of the superhydrophobic modified aluminum alloy surface compared to untreated surfaces. Estimations indicate a significant reduction in corrosion rate after superhydrophobic treatment. Furthermore, an optical absorption spectra analysis of the core-shell nanoparticles demonstrates their suitability for photocatalytic applications, showcasing their potential contribution to enhancing the overall performance of the coated surfaces. This research underscores the promising approach of combining superhydrophobic properties with photocatalytic capabilities to develop advanced surface modification techniques for enhanced corrosion resistance and functional properties in diverse industrial settings.

Probing multifunctional applications of LiCa2Mg2V3O12: Sm3+ phosphor using Judd-Ofelt analysis and dual mode non-contact optical thermometry

LiCa2Mg2V3O12:Sm3+ phosphors have been prepared by solid state method and analysed by X-ray diffraction, EDX-elemental mapping, UV–VIS-NIR spectroscopy, photoluminescence (PL) and temperature dependent photoluminescence (TDPL). The absorption spectra analysis using Judd-Ofelt theory provides the intensity parameters and manifest the covalent nature of Sm-O bond. The PL spectra monitored at 338 nm excitation exhibits emission peaks of Sm3+ at 567, 617 and 651 nm in addition to the broad band emission of LiCa2Mg2V3O12 host. The Commision Internationale deL’Eclairage (CIE) coordinates, correlated color temperature (CCT) and color rendering index (CRI) values elucidate the efficient yellow emission of phosphors. The radiative parameters are evaluated and have outrageous branching ratio and cross section that aids in visible laser applications. The optical thermometry of phosphor is carried out by utilizing FIR method through selecting spectral modes 6H5/2/VO43-, 6H7/2/VO43- and 6H9/2/ VO43-. The mode 6H9/2/ VO43- have higher absolute sensitivity (Sa) and relative sensitivity (Sr) values of 0.4418 K−1 and 1.6079% K−1. The temperature resolution of modes are 0.1633, 0.1677 and 0.1563 K respectively. The thermochromic study reveals the high chromaticity shift (Δs = 0.1869) of phosphor and the Sa(x) and Sr(x) values evaluated based on CIE coordinates are 0.0011 K−1 and 0.2407% K−1 respectively. The PL and TDPL characteristics of prepared phosphor suggest that it have multifunctional application in the fields of lasers, thermo-sensors, thermochromic displays and LEDs.

Design of High-Performance Inorganic-Organic Hybrid Nonlinear Optical Materials Using Superhalogen Al13 and Dianhydrides.

Novel inorganic-organic hybrid complexes Al13-X (X represents the dianhydrides PMDA, NTCDA, and PTCDA) are theoretically designed and studied using density functional theory (DFT) and time-dependent DFT. These conjugated dianhydrides containing four acceptor carbonyl groups are commonly used as electron acceptor materials. These compounds possess large binding energies, reflecting the sufficient binding of Al13 to the dianhydride molecule. The binding nature of the complexes is of charge transfer type, i.e., electrons are transferred from the aluminum cluster to the dianhydride. All of the aimed complexes have large mean polarizability (α0) and first hyperpolarizability (β0). The β0 values are explained on the basis of electronic transitions in crucial excited states using the TD-DFT method. Additionally, the hole-electron distribution was analyzed, revealing the nature of electronic excitation. Absorption spectra analysis shows that these complexes have an excellent infrared (IR) transparent region (1000-5000 nm). Therefore, these inorganic-organic hybrid complexes with high stability can be considered as potential candidates for new IR nonlinear optical molecules.

Photophysics of Benzoxazole and Dicyano Functionalised Diketopyrrolopyrrole Derivatives: Insights into Ultrafast Processes and the Triplet State.

Diketopyrrolopyrrole (DPP) functionalised with an electron donating unit acts as a donor-acceptor molecules that have shown potential for application in dyes and photovoltaics. These molecules offer broad absorption/emission properties and structure-dependent dynamics. In this study, we used femtosecond pump-probe spectroscopy to investigate the photo-initiated dynamics of thiophene linked DPP derivatives. The thio-DPPs are further functionalised by different electrons withdrawing terminal groups, namely benzoxazole and thiophene dicyanide. The benzoxazole derivative is strongly emissive and directly relaxes directly to the ground state chloroform solution. Thiophene dicyanide derivative exhibits distinct spectral evolution in the first 10 ps, associated with structural and vibronic process. Later, it crosses over to the triplet state with a yield of 20 %. In the solid-state (thin film), we observed a signal that resembles singlet fission. However, upon careful analysis of temperature-dependent steady state absorbance spectra, we conclude that these features are due to laser-induced thermal artifacts. We describe a simplified excited state evolution in the thin film that does not include any additional excited states. These findings have significant implications for the analysis of triplet formation, which plays a major role in the photophysics of many organic materials.

The interaction between troxerutin and pepsin was studied by multispectral method and molecular docking simulation

The mechanism of action and quenching mode between troxerutin and pepsin were investigated in this study using ultraviolet-visible absorption spectroscopy, Fourier transform infrared spectroscopy, fluorescence spectroscopy, three-dimensional fluorescence spectroscopy, synchronous fluorescence spectroscopy, circular binary chromatography, and molecular docking simulation. The fluorescence spectroscopy results demonstrated a reduction in the fluorescence intensity of pepsin upon addition of troxerutin, indicating its quenching effect on pepsin. By employing the Stern-Volmer equation to determine KSV and Kq values, it can be inferred that troxerutin exhibits static quenching as the predominant mode of interaction with pepsin. By conducting experiments, the binding constant KA and the number of binding sites n for troxerutin and pepsin were determined, with the number of binding sites n being close to 1, indicating the presence of a specific binding site between troxerutin and pepsin. Thermodynamic analysis was employed to calculate the thermodynamic parameters at 298 K. The negative values of ΔH and ΔS suggest that van der Waals forces and hydrogen bonding are predominant in mediating the interaction between troxerutin and pepsin. The negativity of ΔG indicates the spontaneity of the reaction. The results of molecular docking simulations demonstrate that troxerutin binds to the central active region of pepsin, with hydrogen bonds, van der Waals forces, hydrophobic interactions and adverse collisions contributing to the binding forces between troxerutin and pepsin. Based on the analysis of UV–vis absorption spectrum, three-dimensional fluorescence spectrum, synchronous fluorescence spectrum, and infrared spectrum, it is evident that troxerutin modulates the microenvironment surrounding tryptophan amino acid residues in pepsin. This modulation leads to a reduction in polarity and hydrophilicity while increasing hydrophobicity, consequently inducing alterations in the secondary structure of pepsin. By measuring the binding distance, it is calculated that 0.5 R0 < r < 1.5 R0 and r < 7 nm, indicating the occurrence of non-radiative energy transfer between troxerutin and pepsin. Analysis of the circular dichroism spectrum confirms that pepsin predominantly adopts a β-folded (β-sheet) conformation, providing evidence for the interaction between troxerutin and pepsin. Furthermore, troxerutin induces alterations in the microenvironment of pepsin's structure, ultimately resulting in changes to its secondary structure. These findings shed light on the binding mechanism underlying troxerutin and pepsin interactions while offering valuable reference data for future research and applications involving troxerutin.

The influence of reed nanocellulose on the quality indicators of paper-basis for wallpapers

Improving the production technology of products with improved quality indicators and with less impact on the environment remains an urgent scientific and practical problem of paper industry enterprises. This refers to the technology for the production of paper-bases for wallpaper using environmentally safe chemical additives, in particular nanocellulose (NC), which was obtained by acid hydrolysis from reed cellulose. The production of cellulose was carried out in two stages - extraction from reed stalks with a solution of alkali and an organosolvent method of cooking in a solution of peracetic acid. The obtained organosolvent cellulose contained the remains of lignin and mineral substances, which allows it to be used for the preparation of NC. As a result of the hydrolysis of organosolvent cellulose, a time-stable NC suspension was extracted, the properties of which were investigated by scanning electron microscopy (morphological changes in the structure of reed cellulose-containing materials), atomic force microscopy (determination of topographic characteristics of NC), analysis of electronic absorption spectra (transparency of NC films). It was established that reed NC films had nanoparticles with a cross-sectional size of 5-25 nm, density up to 1.52 g/cm3, transparency up to 81.6 %, tensile strength up to 65 MPa. For the production of castings of paper-bases for wallpaper samples, sulfated pine bleached cellulose and polyester synthetic fiber were used, to the fibrous mass of which were added the following chemical additives: alkyl ketene dimer, reed NC, binder, and optical brightener. It has been shown that the use of nanocellulose at a rate of 0.35 % to 1.0 % of the paper mass leads to a significant improvement in the physical and mechanical quality indicators of the paper base for wallpaper. It was established that the replacement of 50 % of the synthetic chemical auxiliary substance alkyl ketene dimer with nanocellulose or additional application of nanocellulose at a rate of 0.5 g/m2 on the surface of the casting with 0.7 % alkyl ketene dimer allows to obtain paper that meets the requirements of the standard. The obtained results indicate the prospects of using reed nanocellulose for the production of other mass types of paper and cardboard.

Dual-comb spectroscopy in the deep ultraviolet

This Letter reports dual-frequency-comb spectroscopy in the deep ultraviolet used to characterize transient laser-produced plasmas. Dual-comb spectroscopy at these wavelengths enables access to a large number of strong electronic transitions in neutral and ionized atoms and molecules. This broadband dual-frequency-comb system at 265 nm measures multiple transitions in neutral and singly ionized iron atoms in a laser-produced plasma. Analysis of absorption spectra yields time-resolved ion and neutral column densities, excitation temperatures, and electron densities, which are measured down to 1014cm−3 levels. The results provide insights into low-temperature plasma properties.

High‐Pressure‐Induced Lattice and Electronic Structural Transformations in Multilayer ZrS2

Compared with Group VIB transition metal dichalcogenides (TMDs), Group IVB TMDs, specifically ZrX2, have exhibited superior carrier mobility, rendering them highly promising for developing innovative electron devices. The application of high‐pressure has been identified as an effective approach for altering the physical properties of TMDs by manipulating their lattice and electronic structures. This subject has attracted considerable attention within the scientific community. In this investigation, in situ high‐pressure Raman scattering and UV‐visible absorption spectra analysis are conducted to examine the lattice and electronic structural changes in multilayer ZrS2. Raman spectroscopy analysis reveals two phase transitions occurring at 3.65 and 10.95 GPa. Concurrently, the optical absorption findings reveal a distinct transformation in both the optical energy gap and Urbach energy at 3.34 GPa, highlighting the accompanying lattice and electronic structural changes in ZrS2 under high‐pressure. Moreover, these lattice and electronic structural changes are found to be irreversible, indicating the potential utility of compressed ZrS2 in optoelectronic devices.

Characterization and Eco-Friendly Synthesis of Silver and Iron Nanoparticles Using Microalgae Extracts: Implications for Nanobiotechnology.

&lt;b&gt;Background and Objective:&lt;/b&gt; The remarkable surface-to-volume ratio and efficient particle interaction capabilities of nanoparticles have garnered significant attention among researchers. Microalgal synthesis presents a sustainable and cost-effective approach to nanoparticle production, particularly noteworthy for its high metal uptake and ion reduction capabilities. This study focuses on the eco-friendly and straightforward synthesis of Silver (AgNPs) and Iron (FeNPs) nanoparticles by utilizing Spirulina (&lt;i&gt;Arthrospira platensis&lt;/i&gt;) and &lt;i&gt;Chlorella pyrenoidosa&lt;/i&gt; extract, devoid of any chemical reducing or capping agents. &lt;b&gt;Materials and Methods:&lt;/b&gt; Following the mixing of 1 mM AgNO&lt;sub&gt;3&lt;/sub&gt; and 1 mM iron oxide solution with the algal extract, the resulting filtrated solution underwent comprehensive characterization, including UV-visible absorption spectra analysis, observation of particle morphology, Zetasizer measurements and Scanning Electron Microscope-Energy Dispersive X-Ray (SEM-EDX) analysis. &lt;b&gt;Results:&lt;/b&gt; The UV-visible spectroscopy revealed a maximum absorbance peak at 430-440 nm, confirming the successful green synthesis of AgNPs and FeNPs, as indicated by the distinct color change from transparent to dark reddish-yellow and brown to reddish-brown, respectively. The SEM-EDX analysis further elucidated the spherical morphology of the nanoparticles, with an average diameter of 93.71 nm for AgNPs and 6198 nm for FeNPs. The Zeta potential measurements indicated average values of -56.68 mV for AgNPs and 29.73 mV for FeNPs, with conductivities of 0.1764 and 0.6786 mS/cm, respectively. &lt;b&gt;Conclusion:&lt;/b&gt; The observed bioaccumulation of silver and iron nanoparticles within the algal extract underscores its potential as an environmentally friendly and cost-effective method for nanoparticle synthesis. These findings suggested a promising avenues for the application of silver and iron nanoparticles in the field of nanobiotechnology. Future research endeavors could focus on optimizing preparation conditions and controlling nanoparticle size to further enhance their utility and effectiveness.

Analysis of the experimental absorption spectrum of the rabbit lung and identification of its components.

The broadband absorption coefficient spectrum of the rabbit lung presents some particular characteristics that allow the identification of the chromophores in this tissue. By performing a weighted combination of the absorption spectra of water, hemoglobin, DNA, proteins and the pigments melanin and lipofuscin, it was possible to obtain a good match to the experimental absorption spectrum of the lung. Such reconstruction provided reasonable information about the contents of the tissue components in the lung tissue, and allowed to identify a similar accumulation of melanin and lipofuscin.

Engineering atomic size mismatch in Pr3+, La3+ codoped Lu3Al5O12 garnet single crystals for tailored structure and functional properties

This study provided the first in-depth investigation of the effects of large dopant incompatibility (Pr3+ and La3+ ions) on the small host lattice element (Lu3+) in Lu3Al5O12 (LuAG) single crystal. The growth of such complex crystals from the melt presented many challenges. By engineering the ionic radius ratio of RE- and M-site cations, a single-crystal phase stabilized by configurational entropy was achieved. This investigation elucidated the crystallization behavior of configurationally disordered rare-earth aluminum garnet oxide (Lu1−x−yPrxLay)3Al5O12 from the melt and characterized its functional properties, including microstructural, optical, photoluminescence, and scintillation properties, between 5 and 300 K. Relaxation of the imposed strain energy led to local perturbations and destabilization of the garnet structure. Multielemental EDS mapping, micro-Raman spectroscopy, and thermoluminescence revealed the mechanism by which atomic size mismatch drove a smooth transition from the garnet to the perovskite phase in high entropy garnets. The optical, photoluminescence, and scintillation measurements provided fundamental insights into property changes driven by incompatibility doping. Standard and modified Judd-Ofelt theory analysis of absorption spectra determined the phenomenological Judd-Ofelt parameters Ωλ and radiative lifetimes. Atomic size mismatch engineering offers a promising approach to overcoming the limitations of conventional eutectic synthesis methods.

Electric Field Susceptibility of Chlorophyll c Leads to Unexpected Excitation Dynamics in the Major Light-Harvesting Complex of Diatoms.

Diatoms are one of the most abundant photosynthetic organisms on earth and contribute largely to atmospheric oxygen production. They contain fucoxanthin and chlorophyll-a/c binding proteins (FCPs) as light-harvesting complexes with a remarkable adaptation to the fluctuating light on ocean surfaces. To understand the basis of the photosynthetic process in diatoms, the excitation energy funneling within FCPs must be probed. A state-of-the-art multiscale analysis within a quantum mechanics/molecular mechanics framework has been employed. To this end, the chlorophyll (Chl) excitation energies within the FCP complex from the diatom Phaeodactylum tricornutum have been determined. The Chl-c excitation energies were found to be 5-fold more susceptible to electric fields than those of Chl-a pigments and thus are significantly lower in FCP than in organic solvents. This finding challenges the general belief that the excitation energy of Chl-c is always higher than that of Chl-a in FCP proteins and reveals that Chl-c molecules are much more sensitive to electric fields within protein scaffolds than in Chl-a pigments. The analysis of the linear absorption spectrum and the two-dimensional electronic spectra of the FCP complex strongly supports these findings and allows us to study the excitation transfer within the FCP complex.