Bioactive peptides and proteins for tissue repair: microenvironment modulation, rational delivery, and clinical potential.

Bioactive peptides and proteins (BAPPs) are promising therapeutic agents for tissue repair with considerable advantages, including multifunctionality, specificity, biocompatibility, and biodegradability. However, the high complexity of tissue microenvironments and their inherent deficiencies such as short half-live and susceptibility to enzymatic degradation, adversely affect their therapeutic efficacy and clinical applications. Investigating the fundamental mechanisms by which BAPPs modulate the microenvironment and developing rational delivery strategies are essential for optimizing their administration in distinct tissue repairs and facilitating clinical translation.

Analysis of volatile organic compounds and potential odour compounds in food contact paperboard using headspace two-dimensional GC-QTOF-MS.

The objective was to establish a robust and reliable approach for the characterisation of volatile organic compounds (VOCs) present in food contact paperboard. This was achieved through the utilisation of headspace solid-phase microextraction in tandem with comprehensive two-dimensional (2D) gas chromatography (GC) and quadrupole time-of-flight mass spectrometry (HS-SPME-GC × GC-QTOF-MS). The experimental parameters were optimised, involving the use of a DVB/C-WR/PDMS fibre at a temperature of 80 °C for a duration of 30 min.

Highly Luminescent One-Dimensional Organic-Inorganic Hybrid Double-Perovskite-Inspired Materials for Single-Component Warm White-Light-Emitting Diodes.

Double perovskites (DPs) are one of the most promising candidates for developing white light-emitting diodes (WLEDs) owing to their intrinsic broadband emission from self-trapped excitons (STEs). Translation of three-dimensional (3D) DPs to one-dimensional (1D) analogues, which could break the octahedral tolerance factor limit, is so far remaining unexplored. Herein, by employing a fluorinated organic cation, we report a series of highly luminescent 1D DP-inspired materials, (DFPD) M InBr (DFPD=4,4-difluoropiperidinium, M =K and Rb ).

Filling Chlorine Vacancy with Bromine: A Two-Step Hot-Injection Approach Achieving Defect-Free Hybrid Halogen Perovskite Nanocrystals.

Mixed-halide (Cl and Br) perovskite nanocrystals (NCs) are of particular interest because they hold great potential for use in high-efficiency blue light-emitting diodes (LEDs). Generally, mixed-halide compounds are obtained by either a one-step synthesis with simultaneous addition of both halide precursors or a postsynthetic anion exchange using the opposite halogen. However, both strategies fail to prevent the formation of deep-level Cl vacancy defects, rendering the photoluminescence quantum yields (PLQYs) typically lower than 30%.

Organic-Inorganic Hybrid Cuprous-Based Metal Halides for Warm White Light-Emitting Diodes.

Single-component emitters with stable and bright warm white-light emission are highly desirable for high-efficacy warm white light-emitting diodes (warm-WLEDs), however, materials with such luminescence properties are extremely rare. Low-dimensional lead (Pb) halide perovskites can achieve warm white photoluminescence (PL), yet they suffer from low stability and PL quantum yield (PLQY). While Pb-free air-stable perovskites such as Cs AgInCl emit desirable warm white light, sophisticated doping strategies are typically required to increase their PL intensity.

Germanium Halides Serving as Ideal Precursors: Designing a More Effective and Less Toxic Route to High-Optoelectronic-Quality Metal Halide Perovskite Nanocrystals.

The three-precursors approach has proven to be advantageous for obtaining high-quality metal halide perovskite nanocrystals (PNCs). However, the current halide precursors of choice are mainly limited to those highly toxic organohalides, being unfavorable for large-scale and sustainable use. Moreover, most of the resulting PNCs still suffer from low quality in terms of photoluminescence quantum yield (PLQY).

Bright Triplet Self-Trapped Excitons to Dopant Energy Transfer in Halide Double-Perovskite Nanocrystals.

For inorganic semiconductor nanostructure, excitons in the triplet states are known as the "dark exciton" with poor emitting properties, because of the spin-forbidden transition. Herein, we report a design principle to boost triplet excitons photoluminescence (PL) in all-inorganic lead-free double-perovskite nanocrystals (NCs). Our experimental data reveal that singlet self-trapped excitons (STEs) experience fast intersystem crossing (80 ps) to triplet states.

New Protocol-Guided Exploitation of a Lysosomal Sulfatase Inhibitor to Suppress Cell Growth in Glioblastoma Multiforme.

Glioblastoma multiforme (GBM) is a highly invasive and aggressive malignant glioma. Current treatment modalities are unable to significantly prolong survival in patients diagnosed with glioblastoma, so more effective strategies of antitumor treatments are in urgent demand. Here, we found that lysosomal sulfatase expression was significantly correlated with poor prognosis of GBM.

A fluorophore's electron-deficiency does matter in designing high-performance near-infrared fluorescent probes.

The applications of most fluorescent probes available for Glutathione -Transferases (GSTs), including which we developed recently based on 1,8-naphthalimide (), are limited by their short emission wavelengths due to insufficient penetration. To realize imaging at a deeper depth, near-infrared (NIR) fluorescent probes are required. Here we report for the first time the designing of NIR fluorescent probes for GSTs by employing the NIR fluorophore which possesses a higher brightness, hydrophilicity and electron-deficiency relative to .

Semi-Quantitatively Designing Two-Photon High-Performance Fluorescent Probes for Glutathione S-Transferases.

Glutathione S-transferases (GSTs), detoxification enzymes that catalyze the addition of glutathione (GSH) to diverse electrophilic molecules, are often overexpressed in various tumor cells. While fluorescent probes for GSTs have often adopted the 2,4-dinitrobenzenesulfonyl (DNs) group as the receptor unit, they usually suffer from considerable background reaction noise with GSH due to excessive electron deficiency. However, weakening this reactivity is generally accompanied by loss of sensitivity for GSTs, and therefore, finely turning down the reactivity while maintaining certain sensitivity is critical for developing a practical probe.

Salen-Based Conjugated Microporous Polymers for Efficient Oxygen Evolution Reaction.

Exploring high-performance electrocatalysts, especially non-noble metal electrocatalysts, for the oxygen evolution reaction (OER) is critical to energy storage and conversion. Herein, we report for the first time that conjugated microporous polymers (CMPs) incorporating salen can be used as OER electrocatalysts with outstanding performances. The best OER electrocatalyst (salen-CMP-Fe-3) exhibits a low Tafel slope of 63 mV dec and an overpotential of 238 mV at 10 mA cm .

Detection of atherosclerosis-related hypochlorous acid produced in foam cells with a localized endoplasmic reticulum probe.

We have synthesized a turn-on fluorescent probe, termed NB4OH, to detect cellular hypochlorite. NB4OH is mainly localized in the endoplasmic reticulum and detects ClO- in foam cells. The fluorescence change of the probe was explained by theoretical calculation as a PET process.

Constructing Sensitive and Fast Lead-Free Single-Crystalline Perovskite Photodetectors.

We developed a high-performance photodetector based on (CHNH)SbI (MASbI) microsingle crystals (MSCs). The MASbI single crystals exhibit a low-trap state density of ∼10 cm and a long carrier diffusion length reaching 3.0 μm, suggesting its great potential for optoelectronic applications.

Intraligand Charge Transfer Sensitization on Self-Assembled Europium Tetrahedral Cage Leads to Dual-Selective Luminescent Sensing toward Anion and Cation.

Luminescent supramolecular lanthanide edifices have many potential applications in biology, environments, and materials science. However, it is still a big challenge to improve the luminescent performance of multinuclear lanthanide assemblies in contrast to their mononuclear counterparts. Herein, we demonstrate that combination of intraligand charge transfer (ILCT) sensitization and coordination-driven self-assembly gives birth to bright Eu tetrahedral cages with a record emission quantum yield of 23.

Orientation hydrogen-bonding effect on vibronic spectra of isoquinoline in water solvent: Franck-Condon simulation and interpretation.

The excited-state orientation hydrogen-bonding dynamics, and vibronic spectra of isoquinoline (IQ) and its cationic form IQc in water have been investigated at the time-dependent density functional theory quantum chemistry level plus Franck-Condon simulation and interpretation. The excited-state orientation hydrogen bond strengthening has been found in IQ:HO complex due to the charge redistribution upon excitation; this is interpreted by simulated 1:1 mixed absorption spectra of free IQ and IQ:HO complex having best agreement with experimental results. Conversely, the orientation hydrogen bond in IQc:HO complex would be strongly weakening in the S state and this is interpreted by simulated absorption spectra of free IQc having best agreement with experimental results.

Correction: A versatile two-photon fluorescent probe for ratiometric imaging E. coliβ-galactosidase in live cells and in vivo.

Correction for 'A versatile two-photon fluorescent probe for ratiometric imaging E. coliβ-galactosidase in live cells and in vivo' by Xue-Xiang Zhang et al., Chem.

A versatile two-photon fluorescent probe for ratiometric imaging E. coliβ-galactosidase in live cells and in vivo.

We have described the design, synthesis, spectroscopy and biological applications of NI-βGal, a versatile fluorescent probe to detect E. coliβ-galactosidase in live cells and mice sensitively and directly, which holds great promise for its application in biomedical research such as gene therapy for cancer in the future.

Effect of the Hydrogen Bond on Photochemical Synthesis of Silver Nanoparticles.

The effect of a hydrogen bond on the photochemical synthesis of silver nanoparticles has been investigated via experimental and theoretical methods. In a benzophenone system, the photochemical synthesis process includes two steps, which are that hydrogen abstraction reaction and the following reduction reaction. We found that for the first step, an intermolecular hydrogen bond enhances the proton transfer.

Photophysical Properties of a Post-Self-Assembly Host/Guest Coordination Cage: Visible Light Driven Core-to-Cage Charge Transfer.

Supramolecular systems are capable of unique photophysical properties due to possible interactions between subcomponents, such as between an encapsulated molecule and its cage in a host/guest environment. Here, we report that the encapsulation of a chromophore by a metallacage dramatically enhances its photophysical properties. In the visible region, the encapsulated photosensitizer achieves a 6.

Quantitative prediction of charge mobilities of π-stacked systems by first-principles simulation.

This protocol is intended to provide chemists and physicists with a tool for predicting the charge carrier mobilities of π-stacked systems such as organic semiconductors and the DNA double helix. An experimentally determined crystal structure is required as a starting point. The simulation involves the following operations: (i) searching the crystal structure; (ii) selecting molecular monomers and dimers from the crystal structure; (iii) using density function theory (DFT) calculations to determine electronic coupling for dimers; (iv) using DFT calculations to determine self-reorganization energy of monomers; and (v) using a numerical calculation to determine the charge carrier mobility.

Non-adiabatic dynamics of isolated green fluorescent protein chromophore anion.

On-the-fly ab initio molecular dynamics calculations have been performed to investigate the relaxation mechanism of green fluorescent protein chromophore anion under vacuum. The CASSCF surface hopping simulation method based on Zhu-Nakamura theory is applied to present the real-time conformational changes of the target molecule. The static calculations and dynamics simulation results suggest that not only the twisting motion around bridging bonds between imidazolinone and phenoxy groups but the strength mode of C=O and pyramidalization character of bridging atom are major factors on the ultrafast fluorescence quenching process of the isolated chromophore anion.

Switching of the triplet excited state of rhodamine/naphthaleneimide dyads: an experimental and theoretical study.

Rhodamine-bromonaphthaleneimide (RB-NI) and rhodamine-bromonaphthalenediimide (RB-NDI) dyads were prepared for switching of the triplet excited states. Bromo-NI or bromo-NDI parts in the dyads are the spin converters, i.e.

Reactant coordinate based state-to-state reactive scattering dynamics implemented on graphical processing units.

A parallel code for state-to-state quantum dynamics with propagation of time-dependent wavepacket in reactant coordinates has been developed on graphical processing units (GPUs). The propagation of wavepacket and the transformation of wavepacket from reactant to product Jacobi coordinates are entirely calculated on GPUs. A new interpolation procedure is introduced for coordinate transformation to decrease the five-loop computation to two four-loop computations.