Partial Contributions Research Articles

Benchmark Investigation of SCC-DFTB Against Standard DFT to Model Phononic Properties in Two-Dimensional MOFs for Thermoelectric Applications.

Despite the importance of modeling lattice thermal conductivity in predicting thermoelectric (TE) properties, computational data on heat transport, especially from first-principles, in 2D metal-organic frameworks (MOFs) remain limited due to the high computational cost. To address this, we provide a benchmark of the performance of semiempirical self-consistent-charge density functional tight-binding (SCC-DFTB) methods against density functional theory (DFT) for monolayer, serrated, AA-stacked and/or AB-stacked Zn3C6O6, Cd3C6O6, Zn-NH-MOF, and Ni3(HITP)2 MOFs. Harmonic lattice dynamics calculations, including partial atomic contributions to phonon dispersions, are evaluated with both SCC-DFTB and DFT, whereas anharmonic transport (i.e., thermal conductivity) is evaluated with SCC-DFTB only. Our findings further suggest that unlike the other stacking geometries modeled, serrated Zn3C6O6, serrated Zn-NH-MOF, and wavy serrated Ni3(HITP)2 represent stable geometries. While Zn3C6O6 and Zn-NH-MOF exhibit a higher power factor than Ni3(HITP)2 (as found in our previous work), Zn-NH-MOF shows lower thermal conductivity, resulting in the highest thermoelectric figure of merit (ZT) among the studied MOFs.

Topological and site disorder in boron nitride networks.

Amorphous boron nitride (a-BN) is modelled over a wide range of densities using a relatively simple potential model augmented with site charges. The local topology (defined, for example, through the total nearest-neighbour coordination number), appears near-constant across a wide range of densities and site charges. Furthermore, total scattering and total pair distribution functions also show few changes as a function of either density or site charge. Variation of the site charges directly controls the level of site (rather than topological) disorder meaning that although total pair functions may be near-constant, the underlying partial contributions may be very different. Direct contact is made with both experiment and (more recent) density-functional theory-based modelling work.&#xD.

A simplified method for theoretical sum frequency generation spectroscopy calculation and interpretation: The "pop model".

Existing methods to compute theoretical spectra are restricted to the use of time-correlation functions evaluated from accurate atomistic molecular dynamics simulations, often at the abinitio level. The molecular interpretation of the computed spectra requires additional steps to deconvolve the spectroscopic contributions from local water and surface structural populations at the interface. The lack of a standard procedure to do this often hampers rationalization. To overcome these challenges, we rewrite the equations for spectra calculation into a sum of partial contributions from interfacial populations, weighted by their abundance at the interface. We show that SFG signatures from each population can be parameterized into a minimum dataset of reference partial spectra. Accurate spectra can then be predicted by just evaluating the statistics of interfacial populations, which can be done even with force field simulations as well as with analytic models. This approach broadens the range of simulation techniques from which theoretical spectra can be calculated, opening toward non-atomistic and Monte Carlo simulation approaches. Most notably, it allows constructing accurate theoretical spectra for interfacial conditions that cannot even be simulated, as we demonstrate for the pH-dependent SFG spectra of silica/water interfaces.

Coordinate-based simulation of pair distance distribution functions for small and large molecular assemblies: implementation and applications.

X-ray scattering has become a major tool in the structural characterization of nanoscale materials. Thanks to the widely available experimental and computational atomic models, coordinate-based X-ray scattering simulation has played a crucial role in data interpretation in the past two decades. However, simulation of real-space pair distance distribution functions (PDDFs) from small- and wide-angle X-ray scattering, SAXS/WAXS, has been relatively less exploited. This study presents a comparison of PDDF simulation methods, which are applied to molecular structures that range in size from β-cyclo-dextrin [1 kDa molecular weight (MW), 66 non-hydrogen atoms] to the satellite tobacco mosaic virus capsid (1.1 MDa MW, 81 960 non-hydrogen atoms). The results demonstrate the power of interpretation of experimental SAXS/WAXS from the real-space view, particularly by providing a more intuitive method for understanding of partial structure contributions. Furthermore, the computational efficiency of PDDF simulation algorithms makes them attractive as approaches for the analysis of large nanoscale materials and biological assemblies. The simulation methods demonstrated in this article have been implemented in stand-alone software, SolX 3.0, which is available to download from https://12idb.xray.aps.anl.gov/solx.html.

Access to test selection in children’s athletics – Prediction of reaching maximum speed level and result in sprint based on dynamickinematic parameters, speed-strength abilities and morphological characteristics

Running speed in the form of sprinting is one of the most important abilities that can significantly define performance success in many sports. From the perspective of genetically inherited motor functions, running speed can be classified as a primary phylogenetic human movement, manifested in the form of a “threesegment model” consisting of speed, power, and coordination. By comprehensively analyzing the general and partial predictive contributions of dynamic-kinematic parameters of running, speed-power abilities, and morphological characteristics, on a sample of 80 boys aged 10-12 years, it can be concluded that regardless of the choice of criteria, achieved maximal speeds (KVMAX) or results in children’s athletic sprint over 50 meters (KT50m), the same or related predictor variables contributed to the explanation. The variable running time for 20m from a flying start (KTLS20m) has the greatest predictive contribution (β=0.83, p<0.001) to explaining both criteria, which may indicate the importance of conducting this test in the identification and selection for athletic sprint. Additionally, the selection of tests to assess speed-power abilities is extremely important for the identification and selection for athletic sprint. It can be concluded that tests of horizontal and vertical jumps are significant for identification, as well as tests for assessing neuro-muscular excitation. Tests for assessing continuous horizontal jump are also important, although there is an impression that, in boys aged 10-12 years, coordinatively simpler tests should be used. In the analysis of morphological characteristics, variables that significantly contributed to the explanation of criteria at a partial level were body height, back skinfold, and ankle diameter, indicating that in the identification of talented individuals, it should be considered that elite sprinters are characterized by light bones, optimal muscle mass, and low levels of subcutaneous fat tissue.

Floodplain carbon dioxide emissions strongly exceed those of the main river stem: A case study of the Ob River, western Siberia

The importance of floodplains in carbon (C) evasion from the lotic systems is especially important in continental plains of low runoff such as the organic-rich Western Siberian Lowland (WSL). To quantify the relative importance of the floodplain compared to main stem CO2 emissions, we monitored a large region of the Ob River’s middle course (permafrost-free zone) over 3 months from spring to summer. We calculated seasonal water coverage using remote sensing, GIS and hydrologically-based approaches and measured CO2 emissions using floating chambers. There was a strongly pronounced seasonality in the water area’s extent of the floodplain with water covering > 40 % of land during the ∼ 30 days of the most intensive spring flood (May – June) and subsequently declining to ≤ 10 % during summer (July-August). Maximal CO2 emissions were recorded in most shallow water bodies of the floodplain, notably in temporary flooded fens and birch forests. The CO2 emissions during the study period ranged from 0.2 ± 0.2 to 0.9 ± 0.2 g Cm−2 d-1 for the floodplain and 0.03 ± 0.34 g C m−2 d-1 for the Ob’s main channel.CO2 emissions from the floodplain were ∼ 163 ± 20 t C per km for the river’s main stem during the 95 day study period. The partial contributions of temporary flooded zones, main stem, and permanent lakes / secondary channels to total emissions (1820 km² area) were 70, 16, and 14 %, respectively. Over spring and summer seasons, contributions from flooded zones ranged from 43 to 99 % of total CO2 emissions from water surfaces of the Ob River’s middle course. Extrapolation of obtained results to the entire territory of the Ob River floodplain indicates that not accounting for the floodplain emissions may sizably—up to an order of magnitude—underestimate the CO2 emissions from riverine systems in Western Siberia during open water period. Future work on the Ob River floodplain in the permafrost-bearing zone should be prioritized and would allow adequate upscaling of C emission from this environmentally important territory.

Quantum Dynamics of O(3P)+HBr→OH+Br Reaction: Integral Cross Sections and Rate Constants and their Initial State Dependence.

The integral cross sections (ICSs) and rate constants (RCs) for the title reaction are calculated by means of accurate quantum wave packet method employing the recent ab initio potential energy surface developed by Peterson and co-workers. Hundreds of partial wave contributions (up to J=150) are calculated explicitly taking Coriolis coupling into account. The ICSs are found to increase monotonically with energy and their energy dependences are smooth except in the energy range below the potential energy barrier, where several resonance peaks are observed. The temperature dependences of the RCs obey in general the Arrhenius law. These behaviors manifest the dominance of abstract mechanism. Initial rotational state (ji) excitations are found to greatly enhance the reactivity starting from ji=4, while exhibiting a complicated dependence for ji<4. From Boltzmann average of the initial state specified RCs (for ji=0-15) we obtained thermal RCs which are in reasonable agreement with available experimental results.

Geographic drivers more important than landscape composition in predicting bee beta diversity and community structure

AbstractThe importance of microhabitat traits such as floral availability is well known; however, forest bee spatial dynamics have been variably studied across local to broad geographic scales. Past literature suggests that landscape factors from proximate to distal are important in determining forest bee community metrics, including richness, abundance, and taxonomic composition. Leveraging the interest and assistance of citizen science volunteers, we employed standard bee bowl trap transects across Maryland, Delaware, northern Virginia, and the District of Columbia and identified correlations between bee community composition, local and regional land cover, and broader geospatial patterns. We also identified the partial contributions of both specific species and sampling sites to total beta diversity. Various land cover metrics were significantly related to bee community structure, with bee abundance positively and negatively correlated with forest and wetland cover, respectively. In general, land cover metrics within 1000‐m buffer exhibited stronger correlations with bee communities; however, broader geographic variation, using Cartesian coordinates north and east as indices, was most significantly correlated with the bee community. Specifically, bee communities were less rich in the east and south of the study area. We also identified similar correlations with the bee community as categorized by both trophic and nesting behaviors, with both geographic northing and easting proving to be most strongly correlated with the forest bee community. Results of beta diversity and cluster analyses showed that the most species‐depauperate sites exhibited the highest contributions to beta diversity and that species‐poor sites consisted of a reduced subset of the greater community. Our results show that successful bee conservation must consider, beyond local‐scale resource availability, broad geospatial considerations and forest habitat connectivity across political and administrative boundaries.

First-principles study on the electronic structure of n-type magnetic semiconductor Ba(Zn 1−x Co x )2As2

We perform systematic first-principles calculations on the electronic structure of n-type magnetic semiconductor Ba(Zn 1−x Co x )2As2 with the facilitation of HSE06 hybrid functional. Supercells are used to consider the doping of Co atoms, and the first-principles band structures are unfolded for clarity. Based on the calculation results, magnetic states are preferred by individual Co atoms doped in Ba(Zn 1−x Co x )2As2 at diluted limit, and carriers are originated mainly from situations where only one Co atom exists in the nearest neighbor Zn sites out of certain doped Co atoms. The origination of carriers can be explained by the density of states and the unfolded band structure, where it is found that the scattering effects from single Co atom is small but quite large when more Co atoms are located at adjacent Zn sites. The large scattering effects of two adjacent Co atoms will alter the band structures near the Fermi-level. Carriers in Ba(Zn 1−x Co x )2As2 mainly originate from the As-4p orbitals, with partial contributions from the Co-3d orbitals. Our work provides new insights into the origin of the n-type carriers in magnetic semiconductors and will inspire the development of new magnetic semiconducting systems.

Guiding the Selection of Multi-Vector Model Predictive Control Techniques for Multiphase Drives

A diverse group of so-called multi-vector techniques has recently appeared to enhance the control performance of multiphase drives when a direct control strategy is implemented. With different numbers of switching states and approaches for estimating the application times, each multi-vector solution has its own nature and merits. Previous studies have individually tested each version of the proposed finite-control-set model predictive control (FCS-MPC) strategies using a single experimental setup with specific parameters and, in some cases, using a limited range of operating conditions and focusing exclusively on some control aspects. Although such works provide partial contributions, the control performance is highly affected by the test and rig conditions, being dependent on the machine parameters, the switching frequency and the range of operation. Consequently, it becomes difficult to extract some universal conclusions that guide the control designer on the best alternative for each application. Aiming to enrich the knowledge in this field and provide a broader picture, this work performs a global analysis with different multi-vector techniques, various machine parameters, multiple operating points and a complete set of indices. Experimental results confirm that the selection of the most adequate control strategy is not a trivial task because the degree to which multi-vector techniques are affected by the test conditions is variable and complex. Some tables with a qualitative analysis, based on the extensive empirical tests, contribute with a more complete insight and guide eventual control designers on the decision about the optimal regulation approach to be chosen.

Prediction and understanding of barocaloric effects in orientationally disordered materials from molecular dynamics simulations

Due to its high energy efficiency and environmental friendliness, solid-state cooling based on the barocaloric (BC) effect represents a promising alternative to traditional refrigeration technologies relying on greenhouse gases. Plastic crystals displaying orientational order-disorder solid-solid phase transitions have emerged among the most gifted materials on which to realize the full potential of BC solid-state cooling. However, a comprehensive understanding of the atomistic mechanisms on which order-disorder BC effects are sustained is still missing, and rigorous and systematic methods for quantitatively evaluating and anticipating them have not been yet established. Here, we present a computational approach for the assessment and prediction of BC effects in orientationally disordered materials that relies on atomistic molecular dynamics simulations and emulates quasi-direct calorimetric BC measurements. Remarkably, the proposed computational approach allows for a precise determination of the partial contributions to the total entropy stemming from the vibrational and molecular orientational degrees of freedom. Our BC simulation method is applied on the technologically relevant material CH3NH3PbI3 (MAPI), finding giant BC isothermal entropy changes (∣ΔSBC∣ ~ 10 J K−1 kg−1) under moderate pressure shifts of ~0.1 GPa. Intriguingly, our computational analysis of MAPI reveals that changes in the vibrational degrees of freedom of the molecular cations, not their reorientational motion, have a major influence on the entropy change that accompanies the order-disorder solid-solid phase transition.

Dynamics and energetics of the K([formula omitted]) + H[formula omitted] ([formula omitted]) reaction: Significance of orientational and (ro)vibrational contribution

The significance of orientational and (ro)vibrational excitations on the K(2S) + H2 (X1Σg+) reaction dynamics is presented here by performing the exact time-dependent wavepacket calculations using the Coriolis coupling (CC) approach. Employing the new accurate ab initio ground electronic surface 1 2A′ reported by Yuan et al. (2018), the dynamical quantities such as integral cross sections and thermal rate constants are computed within the CC and CS (centrifugal sudden) methods. All partial wave contributions of J (total angular momentum) up to 90 are required to get the convergence in dynamical results up to the collision energy of 3.5 eV. The present study attests that the ground and first vibrational level dynamics is insignificant. For v=2, the reaction probability is monotonically increasing, followed by the onset noted near 1.25 eV, as a function of collision energy up to 3.5 eV. Further, the kinematic effects (replacing H by D atom) on the title system is also performed and found that the KH product formation is more favored than the KD product via HD depletion path.

Three loop QCD corrections to the heavy-light form factors in the color-planar limit

We present the analytic expressions for the color-planar contributions to the heavy-light form factors at three loops in perturbative QCD. These form factors play an important role in the precision predictions of various observables in top quark and flavour physics. We compute the master integrals using the method of differential equations. We perform the ultraviolet renormalization for all the appearing fields and parameters. The analytic results for the renormalized form factors are expressed in terms of generalized harmonic polylogarithms. We also study the Sudakov behaviour of these form factors in the asymptotic limit, which enables us to obtain the complete logarithmic three-loop and partial four-loop contributions.

Neuronal and astrocyte NCX isoform/splice variants: How do they participate in Na+ and Ca2+ signalling?

NCX1, NCX2, and NCX3 gene isoforms and their splice variants are characteristically expressed in different regions of the brain. The tissue-specific splice variants of NCX1–3 isoforms show specific expression profiles in neurons and astrocytes, whereas the relevant NCX isoform/splice variants exhibit diverse allosteric modes of Na+- and Ca2+-dependent regulation. In general, overexpression of NCX1–3 genes leads to neuroprotective effects, whereas their ablation gains the opposite results. At this end, the partial contributions of NCX isoform/splice variants to neuroprotective effects remain unresolved. The glutamate-dependent Na+ entry generates Na+ transients (in response to neuronal cell activities), whereas the Na+-driven Ca2+ entry (through the reverse NCX mode) raises Ca2+ transients. This special mode of signal coupling translates Na+ transients into the Ca2+ signals while being a part of synaptic neurotransmission. This mechanism is of general interest since disease-related conditions (ischemia, metabolic stress, and stroke among many others) trigger Na+ and Ca2+ overload with deadly outcomes of downstream apoptosis and excitotoxicity. The recently discovered mechanisms of NCX allosteric regulation indicate that some NCX variants might play a critical role in the dynamic coupling of Na+-driven Ca2+ entry. In contrast, the others are less important or even could be dangerous under altered conditions (e.g., metabolic stress). This working hypothesis can be tested by applying advanced experimental approaches and highly focused computational simulations. This may allow the development of structure-based blockers/activators that can selectively modulate predefined NCX variants to lessen the life-threatening outcomes of excitotoxicity, ischemia, apoptosis, metabolic deprivation, brain injury, and stroke.

Ab initio based study of the diamagnetism of diamond, silicon and germanium

Diamond, silicon and germanium are widely used technological materials, whose electron structures are tabulated and understood very well. Yet the detailed picture of various diamagnetic contributions and their interplay with the paramagnetic effect, especially at the ab initio level, due to the complexity of this problem remains largely unknown. In our study, based on the ab initio electron band structure approach, all possible magnetic contributions, including the Langevin (Larmor) diamagnetism and the Van Vleck paramagnetism accounted in the second order of the perturbation treatment, are analyzed quantitatively. The Van Vleck contribution has been adapted to the band structure calculations by performing integration over k-points. Also, the partial diamagnetic contributions of core and valence electrons are obtained and discussed in detail. Of all terms there is only one — the Langevin diamagnetism of the valence electrons, which is not well defined quantitatively due to the contribution from the interstitial region. We discuss possible approaches to partitioning this contribution among neighboring crystal sites, based on the Bader charge separation and introducing the area of depleted electron density, excluded from the integration. Under various assumptions for the interstitial region, we have found that the magnetic susceptibilities for diamond, silicon and germanium lie in the range -13.4/-9.3, -4.7/-4.0 and -8.4/-8.8 (volume values, in units of 10−7), correspondingly. In general, this is consistent with the available experimental values, albeit the numerical uncertainty typically reaches tens of percent.

A study on the congruence and proximity of the sling and clasp fibres at the cardio-esophageal junction of the stomach.

The cardio-oesophageal sphincter that is located in close longitudinal proximity to the origin of the lesser curvature of the stomach has a unique pattern of external muscle fibres whose inner oblique layer would normally form an elongated sling and the middle partially circular layer would form a projecting clasp into the already existing muscular sling of the former congruently, which would result in the formation of an anatomical sphincter in that area that would normally be devoid of the external longitudinal muscle layer coat. Certain authors have disagreed with the notion of this standard literature and have proposed that the clasp and sling fibres need not necessarily be congruent and may even remain independent of each other with partial contributions from the longitudinal muscle layers as well that may arise tangentially in different populations, which may in turn contribute to reflux oesophagitis in that population. Hence, the clasp and sling fibre muscular patterns were observed in six formalin-embalmed cadavers at the department of anatomy in a tertiary care institute as part of routine dissections in series, and the findings were then reported. At the junction of the lesser curvature of the stomach with the oesophagus, all six cadavers showed a longitudinal sling pattern as opposed to the conventional oblique sling. The circular muscle layer was found to be merged with the outer longitudinal muscle layer to form the sling that pulled away from the clasp, resulting in a loss of congruency for the same. The clasp fibres, however, were found to be contributed by the inner oblique muscle layer. The conventional perpendicular or tangential merging of the clasp with the sling was not observed; instead, an obtuse, blunt angular merging of the clasp with the sling was observed. The deviation of the sling from the clasp could indicate a lack of a proper fit between them at the cardio-oesophageal sphincter. The lack of robustness in the attachment of the clasp to the sling may possibly contribute to the diminished taut pull of the clasp in this subset of the population. These would be significant determinants for a predisposition to reflux oesophagitis and Barrett's oesophagus.

Elliptic Dichroism in the Above-Threshold Ionization of Molecules Induced by a Strong Laser Field.

Using a strong-field-approximation theory, we investigate the high-order above-threshold ionization of diatomic molecules exposed to the monochromatic and bichromatic elliptically polarized fields. We devote particular attention to the difference between the photoelectron momentum distributions obtained with fields with opposite helicity. This difference is quantified using the elliptic-dichroism parameter, which represents the normalized difference between the differential ionization rates calculated with driving fields with opposite helicity. We find that this parameter strongly depends on the molecular orientation with respect to the laser field. In addition, this dependence is different for molecules with different types of highest-occupied molecular orbital. In other words, we show that the molecular structure is imprinted onto the elliptic-dichroism parameter for both monochromatic and bichromatic driving fields. This is explained by analyzing the interferences between various partial contributions to the differential ionization rate. In this way, elliptic dichroism also serves as a tool to analyze the electron dynamics. Finally, for heteronuclear diatomic molecules, we show that the elliptic dichroism is different from zero even for the direct electrons, i.e., the electrons that after liberation go directly to the detector. In this case, the dependence on the molecular orientation is far more pronounced for a bichromatic driving field.

Spin entanglement in neutron-proton scattering

In this Letter, I work out spin entanglement properties of neutron-proton scattering using the exact S-matrix, considering both S-wave and higher partial wave contributions. The dependence of spin entanglement on relative momentum, scattering angle, and initial spin configuration is investigated for realistic nuclear forces, while low-energy properties of spin entanglement are analyzed within the framework of pionless effective field theory at leading order. New connections are found between spin entanglement and symmetry emergence of strong interactions. These results lead to a more complete understanding of how spin entanglement is generated via neutron-proton interaction. They also lay the theoretical foundation for controllable production of entangled nucleon-nucleon pairs in future experiments.

2021 occultations and transits of Linus orbiting (22) Kalliope

Aims.The satellite Linus orbiting the main-belt asteroid (22) Kalliope exhibited mutual occultation and transit events in late 2021. A photometric campaign was organised and observations were undertaken by the TRAPPIST-South, SPECULOOS-Artemis, OWL-Net, and BOAO telescopes, with the goal to further constrain dynamical and photometric models of this sizeable asteroid-satellite system.Methods.Our dynamical model is sufficiently complex, featuring multipoles (up to the order ofℓ= 2), internal tides, and external tides. The model was constrained by astrometry (spanning 2001–2021), occultations, adaptive-optics imaging, and calibrated photometry, as well as relative photometry. Our photometric model was substantially improved. A new precise (&lt;0.1 mmag) light curve algorithm was implemented, based on polygon intersections, which are computed exactly by including partial eclipses and partial visibility of polygons. Moreover, we implemented a ‘cliptracing’ algorithm, again based on polygon intersections, in which partial contributions to individual pixels are computed exactly. Both synthetic light curves and synthetic images then become very smooth.Results.Based on our combined solution, we confirmed the size of Linus, namely, (28 ± 1)km. However, this solution exhibits some tension among the light curves and the PISCO speckle-interferometry dataset, acquired simultaneously with the 2021 events. This indicates that improvements of the shape are still possible. In most solutions, Linus is darker than Kalliope, with the single-scattering albedosAw= 0.40 vs. 0.44. This is confirmed on deconvolved images. A detailed revision of astrometric data has allowed us to revise also theJ2≡ −C20value of Kalliope. Most importantly, a homogeneous body is excluded. For a differentiated body, two solutions exist: low-oblateness (C20≃ −0.12), with a spherical iron core, and, alternatively, high-oblateness (C20≃ −0.22) with an elongated iron core. These values correspond, respectively, to the low- and high-energy collisions we studied via SPH simulations in our previous work.

Real-time measure of solvation free energy changes upon liquid-liquid phase separation of α-elastin

Biological condensates are known to retain a large fraction of water to remain in a liquid and reversible state. Local solvation contributions from water hydrating hydrophilic and hydrophobic protein surfaces were proposed to play a prominent role for the formation of condensates through liquid-liquid phase separation (LLPS). However, although the total free energy is accessible by calorimetry, the partial solvent contributions to the free energy changes upon LLPS remained experimentally inaccessible so far. Here, we show that the recently developed THz calorimetry approach allows to quantify local hydration enthalpy and entropy changes upon LLPS of α-elastin in real time, directly from experimental THz spectroscopy data. We find that hydrophobic solvation dominates the entropic solvation term, whereas hydrophilic solvation mainly contributes to the enthalpy. Both terms are in the order of hundreds of kJ/mol, which is more than one order of magnitude larger than the total free energy changes at play during LLPS. However, since we show that entropy/enthalpy mostly compensates, a small entropy/enthalpy imbalance is sufficient to tune LLPS. Theoretically, a balance was proposed before. Here we present experimental evidence based on our spectroscopic approach. We finally show that LLPS can be steered by inducing small changes of solvation entropy/enthalpy compensation via concentration or temperature in α-elastin.