A series of tetrafluorine‐substituted small molecules with a D 1 ‐A‐D 2 linear framework based on indacenodithiophene and difluorobenzothiadiazole is designed synthesized for application as donor materials in solution‐processed small‐molecule organic solar cells. The impacts thiophene π‐bridge multiple fluorinated modules the photophysical properties, energy levels highest occupied molecular orbitals (HOMO) lowest unoccupied (LUMO), charge carrier mobility, morphologies blend films, their...

The endoplasmic reticulum (ER) has a central role in the fine-tuning of environmental and internal stimuli. We herein report ratiometric fluorescent probe, α-Naph, capable determining basal H2O2 ER. probe specifically responds to H2O2. limit detection is as low 38 nM, making it feasible sensor image intracellular In addition, utilizing its property, we are able measure concentration ER quantitatively, eliminating error caused by environment. calculated be 0.692 μM under normal conditions...

A family of narrow band gap extended π-conjugated D2-A2-D1-A1-D1-A2-D2 type small molecules based on diketopyrrolopyrrole derivatives as the stronger acceptor core (A1) coupled with indacenodithiophene (IDT; D1) and difluorobenzothiadiazole (A2) are synthesized, their properties donor materials in solution-processed small-molecule organic solar cells investigated. The impacts replacing thiophene ring by a more electron-deficient thiazole inserting spacer between electron-donating (D1)...

The synthesis of a series tetrafluorine‐substituted, wide‐bandgap, small molecules consisting various π‐conjugated spacers (furan, thiophene, selenophene) between indacenodithiophene as the electron‐donating core and electron‐deficient difluorobenzothiadiazole unit is reported effect on photovoltaic properties investigated. alteration spacer enables fine‐tuning photophysical energy levels molecules, allows adjustment charge‐transport properties, morphology photoactive films, well their...

Nitroxyl (HNO) and endoplasmic reticulum (ER) stress are considered to play important effects in the administration of many pathological processes Parkinson's disease (PD). However, intricate relationship between neurotoxicity HNO ER PD is still unknown. To completely comprehend pathogenic activity during achieve early diagnosis PD, developing sensitive tools for sensing vivo essential. In this work, a two-photon fluorescent probe (KD-HNO) was developed with highly selective (7.93 nM)...

Abstract Enzymes contain several subunits to maintain different biological functions. However, it remains a great challenge for specific discrimination of one subunit over another. Toward this end, the fluorescent probe TPEMA is now presented highly detection B cytosolic creatine (CK) kinase isoenzyme (CK‐B). Owing its aggregation‐induced emission property, shows boosted toward CK‐B with fast response time and very low interference from other analytes, including M CK (CK‐M). With aid Job...

Despite their great success in recognizing small molecules vitro, nucleic acid aptamers are rarely used clinical settings. This is partially due to the lack of structure-based mechanistic information. In this work, atomistic molecular dynamics simulations study static and dynamic supramolecular structures relevant process wild-type (wt) aptamer recognition binding ATP. The effects brought about by mutation key residues site also explored. reveal that displays a high degree rigidity...

Diverse titanium dioxide (TiO2 ) nanostructures have attracted much attention recently due to their potential application in photocatalytic and photovoltaic fields. Here, the synthesis of a TiO2 single crystal with novel four-truncated-bipyramid morphology is reported for first time, produced by simple hydrothermal method. Both peroxo titanic acid precursor hydrofluoric capping agent are essential formation this unique morphology. Moreover, as-prepared photocatalyst exhibits excellent...

Nitro-NNO-azoxy group: the unique structure could improve density, heat of formation, detonation velocity and pressure an explosive. Compared with nitro group, nitro-NNO-azoxy group has a stronger energetic electron-attracting property.

Cellular self-regulation of reactive oxygen species (ROS) stress via glutathione (GSH) antioxidant repair plays a crucial role in maintaining redox balance, which affects various physiological and pathological pathways. In this work, we developed simple yet effective strategy for reversible, dynamic, real-time fluorescence imaging ROS GSH repair, based on novel Ge-pyronine dyes (GePs). Unlike the current O-pyronine (OP) dye, GePs can be quenched reduction then greatly restored by (e.g.,...

The crystal structure of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaiso-wurtzitane (CL-20) p-xylene solvate, and the solvent effects on faces CL-20 were studied through a combined experimental theoretical method. properties analyzed by thermogravimetry-differential scanning calorimetry (TG-DSC), Fourier transform infrared spectroscopy (FTIR) X-ray diffraction (XRD).The growth morphology CL-20p-xylene solvate was predicted with modified attachment energy model. belonged to Pbca space group...

A pair of isomeric hexafluorinated oligomers (Th6FSe and Se6FTh), which are with the same aromatic compositions (difluorobenzothiadiazoles central core, IDT units, donor end-capped groups), but differ in π-bridge position (selenophene thiophene), were designed successfully synthesized. The potential resulted as materials for BHJ-OSCs was systematically investigated through optical absorption, AFM, TEM, GIXD, charge mobility measurement, photovoltaic device fabrication. It found that...

Electronic structure calculations using both ab initio MO and DFT methods, in conjunction with the 6-311++G(d,p), 6-311++G(3df,2p), aug-cc-pVTZ basis sets, have been applied to investigate energies structures of lowest-lying triplet states series five parent nucleotide RNA DNA bases including uracil, thymine, cytosine, guanine, adenine halogenated 5X 6X-substituted uracils (X = F, Cl, Br). The singlet−triplet gap ΔEST uracil was evaluated different functionals (B3LYP, B3P86, B3PW91, BP97-1,...

A novel nonplanar 3D acceptor material for organic solar cells composed of three perylene diimide units and a triptycene core is synthesized characterized.

The reaction of HO• radical with DNA is intensively studied both mechanistically and analytically for lesions formation. Several aspects related to the paths purine moieties formation 5′,8-cyclopurines (cPu), 8-oxopurines (8-oxo-Pu), their relationship are not well understood. In this study, we investigated a 21-mer double-stranded oligodeoxynucleotide (ds-ODNs) in γ-irradiated aqueous solutions under various oxygen concentrations accurately quantified six (i.e., four cPu two 8-oxo-Pu) by...

Through rational design, in vivo supramolecular construction of nanodrugs could precisely proceed the lesion areas, which may apparently improve theranostic performance nanomaterials. Herein, a tumor microenvironment-responsive nanoplatform (Ce6-GA@MnO2-HA-PEG) has been constructed to achieve and enhance therapeutic efficacy combined phototherapy through intracellular reassembly. Under microenvironment, such undergo process decomposition–reassembly form situ photothermal assemblies. The...

Bacterial infections pose a huge challenge to global public health, exacerbated by the growing threat of antibiotic resistance due overuse antibiotics, and there is an urgent need develop epidemiological control methods that enable accurate detection precise treatment. In this study, we present innovative dual-response integrated probe, Nap-CefTTPy, which capable dual-channel fluorescence imaging, synergizing with photodynamic therapy for diagnosis treatment bacterial infections. The probe...