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Developing light-harvesting and photocatalytic molecules made with iron could provide a cost effective, scalable, and environmentally benign path for solar energy conversion. To date these developments have been limited by the sub-picosecond metal-to-ligand charge transfer (MLCT) electronic excited state lifetime of iron based complexes due to spin crossover-the extremely fast intersystem crossing
Phase modulation and phase cycling schemes have been commonly used in electronic two-dimensional (2D) spectroscopy where the observables are incoherent signals such as fluorescence or photocurrent. Although the methods have distinct advantages compared to the coherent signal-detected 2D spectroscopy in sensitivity, possibility to measure spectra from isolated quantum systems and direct visualizati
Although significant improvements have been achieved for organic photovoltaic cells (OPVs), the top-performing devices still show power conversion efficiencies far behind those of commercialized solar cells. One of the main reasons is the large driving force required for separating electron-hole pairs. Here, we demonstrate an efficiency of 14.7% in the single-junction OPV by using a new polymer do
Colloidal all-inorganic perovskite nanocrystals have gained significant attention as a promising material for both fundamental and applied research due to their excellent emission properties. However, reported photoluminescence quantum yields (PL QYs) of blue-emitting perovskite nanocrystals are rather low, mostly due to the fact that the h
2D Ruddlesden–Popper (RP) perovskite solar cells have manifested superior operation durability yet inferior charge transport compared to their 3D counterparts. Integrating 3D phases with 2D RP perovskites presents a compromise to maintain respective advantages of both components. Here, the spontaneous generation of 3D phases embedded in 2D
Dark states are eigenstates or steady states of a system that are decoupled from the radiation. Their use, along with associated techniques such as stimulated Raman adiabatic passage, has extended from atomic physics, where it is an essential cooling mechanism, to more recent versions in the condensed phase where it can increase the coherence times of qubits. These states are often discussed in th
In this work, we explored the photoinduced charge carriers dynamics rationalizing the photocatalytic oxidation of NO over N-doped Bi2O2CO3/graphene quantum dots composites(N-BOC/GQDs) via time-resolved photoluminescence (TRPL). Under visible light illumination, only GQDs can be photoexcited and inject electrons to N-BOC within 0.5 ns. Under UV light irradiation, the interfacial Z-scheme heterojunc
The gain and loss of aromaticity plays a key role in organic chemistry and in the prediction of rate‐determining steps. Herein, we explore the concept of aromaticity in photoisomerization reactions. Benzannulated derivatives of the dihydroazulene‐vinylheptafulvene (DHA‐VHF) photoswitch were investigated using transient absorption spectroscopy and time‐dependent density functional theory to elucida
Phosphorylation is one of the most abundant types of post-translational modifications of intrinsically disordered proteins (IDPs). This study examines the conformational changes in the 15-residue-long N-terminal fragment of the IDP statherin upon phosphorylation, using computer simulations with two different force fields: AMBER ff99SB-ILDN and CHARMM36m. The results from the simulations are compar
We present a scheme for transferring conformational degrees of freedom from all-atom (AA) simulations of an intrinsically disordered protein (IDP) to coarse-grained (CG) Monte Carlo (MC) simulations using conformational swap moves. AA simulations of a single histatin 5 peptide in water were used to obtain a structural ensemble, which is reweighted in a CGMC simulation in the presence of a negative
When a biomaterial is inserted into the body, proteins rapidly adsorb onto its surface, creating a conditioning protein film that functions as a link between the implant and adhering cells. Depending on the nano-roughness of the surface, proteins will adsorb in different amounts, with different conformations and orientations, possibly affecting the subsequent attachment of cells to the surface. Th
Intrinsically disordered proteins (IDPs) adopt heterogeneous conformational ensembles in solution. The properties of the conformational ensemble are dependent upon the solution conditions, including the presence of ions, temperature, and crowding, and often directly impact biological function. Many in vitro investigations focus on the properties of IDPs under dilute conditions, rather than the cro
Mathematical modeling of nystagmus oscillations is a technique with applications in diagnostics, treatment evaluation, and acuity testing. Modeling is a powerful tool for the analysis of nystagmus oscillations but quality assessment of the input data is needed in order to avoid misinterpretation of the modeling results. In this work, we propose a signal quality metric for nystagmus waveforms, the
In this article, it is shown that by exposing commonly used lipids for biomembrane mimicking studies, to a solution containing the histidine-rich intrinsically disordered protein histatin 5, a protein cushion spontaneously forms underneath the bilayer. The underlying mechanism is attributed to have an electrostatic origin, and it is hypothesized that the observed behavior is due to proton charge f
Efficient descriptions of open quantum systems can be obtained by performing an adiabatic elimination of the fast degrees of freedom and formulating effective operators for the slow degrees of freedom in reduced dimensions. Here, we perform the construction of effective operators in frequency space, and using the final value theorem or alternatively the Keldysh theorem, we provide a correction for
Aims: To investigate potential differences between participants and dropouts in the 2005 follow-up of the Scania Public Health Cohort Study regarding the prevalence of commonly studied health determinants and whether these factors had differential associations with three health outcomes: all-cause mortality and purchase of prescribed cardiovascular or psychotropic drugs during a 10-year follow-up
Background: Selection and selection bias are terms that lack consistent definitions and have varying meaning and usage across disciplines. There is also confusion in current definitions between underlying mechanisms that lead to selection and their consequences. Consequences of selection on study validity must be judged on a case-by-case basis depending on research question, study design and analy
Recurrent use of the Housing Enabler instrument has highlighted methodological challenges of broader scientific interest, namely interactions between personal functional capacity (P) and exposures to features (here potential barriers) in the built housing environment (E). This study aimed to propose and illustrate an analytic approach, separating P × E interaction effects (here accessibility probl
