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Highly selective detection of Fe3+, Cd2+ and CH2Cl2 based on a fluorescent Zn-MOF with azine-decorated pores
摘要： The design and synthesis of sensitive and selective luminescent materials as chemical sensing agents is a fundamental goal in fluorescence assays. Considering high porosity, large surface area, excellent photoluminescence property of metal-organic frameworks (MOFs), luminescent properties of a microporous azine-functionalized MOF, TMU-16, dispersed in different metal ions and solvents have been investigated systematically. The TMU-16 displays superb luminescence emission, and it can detect Fe(III) and Cd(II) ions with high selectivity, excellent sensitivity, and short response time (<1 min). The emission intensities of TMU-16 were quenched upon the addition of Fe3+ and increased upon the addition of Cd2+. The detection limits of TMU-16 for Fe3+/Cd2+ in DMF are estimated to be 0.2 and 0.5 μM, respectively. The effect of other metal ions on the fluorescence intensity of the MOF was also studied and other metal ions showed low interference response in recognition of Fe3+ and Cd2+. Furthermore, TMU-16 exhibits distinct solvent-dependent luminescent spectra with emission intensity significantly enhanced toward dichloromethane. More importantly, this is the first example of MOF-based luminescent sensor as efficient multifunctional fluorescence material which can use for selective sensing of Fe(III) and Cd(II) ions and small molecules such as CH2Cl2.
关键词： Small molecules,Metal ions,Luminescent,Sensing,Metal-organic frameworks,Detection
更新于2025-11-19 16:46:39
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Diketopyrrolopyrrole based small molecular semiconductors containing thiazole units for solution-processed n-channel thin-film transistors
摘要： In this work, three diketopyrrolopyrrole-based conjugated small molecular semiconductors characterized by the combination of a diketopyrrolopyrrole (DPP) central core, thiazole π-conjugated moiety, and dicyanovinyl end group with different alkyl side chain substituents, 2TzDPPA1-2DCV, 2TzDPPA2-2DCV, and 2TzDPPA3-2DCV were synthesized. These small molecules have a similar narrow band gap of about 1.50 eV and deep LUMO energy level at -4.30 eV. Under ambient conditions, electron mobilities of 0.28 cm2 V-1 s-1, 0.13 cm2 V-1 s-1, 0.25 cm2 V-1 s-1 for solution processed thin films of 2TzDPPA1-2DCV, 2TzDPPA2-2DCV, and 2TzDPPA3-2DCV were obtained, due to high crystallinity and well-organized molecular stacking. Compared with the other two materials, thin films of 2TzDPPA1-2DCV enable the best OFET performance with desirable Ion / Ioff rates exceeding of 107, attribute to the coefficient of smoother film morphology and stronger crystallinity. These results reveal that introducing the thiazole unit into the DPP-based conjugated skeleton is conducive to enhance the crystallinity and tailor LUMO energy levels which ensure good performance and excellent stability of these molecules as active materials for n-channel electronic devices.
关键词： small molecules,solution-processed n-channel thin-film transistors,thiazole unit,diketopyrrolopyrrole,air stability
更新于2025-09-23 15:23:52
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Data on characterization and validation of assays for ultrasensitive quantitative detection of small molecules: Determination of free thyroxine with magnetic and interferometric methods
摘要： The presented data refer to optimization and quantitative characterization of a rapid lateral flow assay based on high-affinity bifunctional ligand and magnetic nanolabels, which was developed for detection of small molecules of thyroid hormones. The results were obtained by including the magnetic particle quantification method, spectral-correlation interferometry and spectral-phase interferometry, dynamic light scattering, enzyme linked immunosorbent assay. The long-term stability of "antibody – magnetic nanoparticle" conjugates is shown. The assay specificity is confirmed, and verification of successful combination of magnetic particles and antibodies is demonstrated. The kinetic and equilibrium dissociation constants are determined for interactions between thyroxine and monoclonal antibodies. The obtained data could be used for design of other platforms for detection of small molecules.
关键词： ELISA,Lateral flow assay,Small molecules,Ultrasensitive detection,Free thyroxine,Interferometry,Magnetic nanolabels,Dynamic light scattering
更新于2025-09-23 15:22:29
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3D core-multishell piezoelectric nanogenerators
摘要： The thin film configuration presents obvious practical advantages over the 1D implementation in energy harvesting systems such as easily manufacturing and processing, and long-lasting and stable devices. However, ZnO-based piezoelectric nanogenerators (PENGs) generally rely on the exploitation of single-crystalline nanowires because of their self-orientation in the c-axis direction and ability to accommodate long deformations resulting in high piezoelectric performance. Herein, we show an innovative approach to produce PENGs by combining polycrystalline ZnO layers fabricated at room temperature by plasma-assisted deposition with supported small-molecule organic nanowires (ONWs) acting as 1D scaffolds. Such hybrid nanostructures present convoluted core-shell morphology, formed by a single-crystalline organic nanowire conformally surrounded by a poly-crystalline ZnO shell and combine the organic core mechanical properties with the ZnO layer piezoelectric response. In a step forward towards the integration of multiple functions within a single wire, we have also developed ONW-Au-ZnO nanoarchitectures including a gold shell acting as inner electrode achieving output piezo-voltages up to 170 mV. The synergistic combination of functionalities in the ONW-Au-ZnO devices promotes an enhanced performance generating piezo-currents one order of magnitude larger than the ONW-ZnO nanowires and superior to the thin film nanogenerators for equivalent and higher thicknesses.
关键词： piezoelectric nanogenerators,organic nanowires,ZnO,small-molecules,plasma deposition,core-shell nanowires
更新于2025-09-23 15:22:29
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Identification of Protein Targets of Bioactive Small Molecules Using Randomly Photomodified Probes
摘要： Identifying protein targets of bioactive small molecules often requires complex, lengthy development of affinity probes. We present a method for stochastic modification of small molecules of interest with a photoactivatable phenyldiazirine linker. The resulting isomeric mixture is conjugated to a hydrophilic copolymer decorated with biotin and a fluorophore. We validated this approach using known inhibitors of several medicinally relevant enzymes. At least a portion of the stochastic derivatives retained their binding to the target, enabling target visualization, isolation, and identification. Moreover, the mix of stochastic probes could be separated into fractions and tested for binding affinity. The structure of the active probe could be determined and the probe re-synthesized to improve binding efficiency. Our approach can thus enable rapid target isolation, identification, and visualization, while providing information required for subsequent synthesis of an optimized probe.
关键词： bioactive small molecules,target isolation,protein targets,target identification,stochastic modification,target visualization,photoactivatable phenyldiazirine linker,biotin,fluorophore,hydrophilic copolymer
更新于2025-09-23 15:21:21
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Cardanol and Guaiacol sourced Solution-Processable Green Small Molecules based Organic Solar Cells
摘要： An environment compatible organic solar cell (OSC) has potential to build a global clean energy infrastructure for the world. However, much less attention has been focused on the structures sourced from greener origin, to enhance the sustainability aspect of these devices. Herein, we report a rational design, synthesis and characterization of donor (D)-acceptor (A) based green organic small molecules, consisting of difluoro-2,1,3-benzothiadiazole (BTF2) as the acceptor, with a thiophene (T) and renewable resource materials, cardanol (C) and guaiacol (G) as the donor materials. The reference molecule, abbreviated as T4BTF2, is fully petro-sourced, while C2T2BTF2, G2T2BTF2 are partly renewable origin molecules. A broad and strong absorption characteristics ranging from 300 to 600 nm along with higher thermal stability is supportive for the utility of the greener origin small molecules in solar cells. Density Functional Theory (DFT) calculations revealed that G2T2BTF2 is highly planar than C2T2BTF2 due to the difference in the positioning of alkyl/alkoxy chain. Bulk heterojunction OSCs with PC71BM as the acceptor, G2T2BTF2 exhibited the high Voc of 0.83 V among all the analysed small molecules. When compared with the reference molecule T4BTF2, G2T2BTF2 showed a high PCE of 5.56 % with a high Jsc of 10.98 mA/cm2 and FF of 0.61, whereas the PCEs of T4BTF2 and C2T2BTF2 are 3.98 % and 3.23%, respectively. Our work demonstrates a rational approach to synthesize and develop green organic semiconductors using the bio-feedstock derived starting materials for realizing efficient and environment compatible OSCs.
关键词： Organic small-molecules,Green organic solar cells,Renewable phenols,fluorine substituents,Sustainable,donor-acceptor
更新于2025-09-23 15:21:01
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Inkjet printing a small-molecule binary emitting layer for organic light-emitting diodes
摘要： For inkjet-printed organic light-emitting diodes, it is critical to obtain a homogeneous small molecular-based emitting film. In contrast to the conventional strategy of utilizing mixed solvents, we have successfully inkjet printed a binary electrophosphorescent emitter with a single solvent. The binary emitter consists of a new host material of 3-(3,6-di-t-butylcarbazol-9-yl)-3'-(2-(4-t-butylphenyl)benzoimidazol-1-yl)-[1,1'-biphenyl], and an iridium complex dopant of bis(2-methyldibenzo[f,h]quinoxaline)(acetylacetonate)- iridium(III) (Ir(MDQ)2(acac)). Compatible with Ir(MDQ)2(acac), the newly developed host is highly soluble and amorphous with a glass transition temperature of 137 oC upon cooling from the melt. The inkjet printability and film morphology of the emitting layer are strongly dependent both on substrates and the solvents. With the o-dichlorobenzene (o-DCB) as the single solvent, and poly[(9,9-dioctylfluorenyl-2,7-diyl)-co-(4,4?-(N-(p-butylphenyl))diphenylamine)] (TFB) as the hole transporting layer, a uniform emitter film morphology without any coffee ring is obtained. The phosphorescent OLEDs with the inkjet-printed emitter yields a maximum current efficiency of 17.89 cd/A, comparable to that of the Ir(MDQ)2(acac)?based OLEDs with spin-cast emitter.
关键词： Dewetting,Coffee ring,Inkjet printing,Phosphorescent OLEDs,Small molecules
更新于2025-09-23 15:21:01
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A wide-bandgap nonplanar small molecule acceptor having indenofluorene core for non-fullerene polymer solar cells
摘要： Recently, the nonplanar non-fullerene acceptors (NFAs) are attractive in active layers in highly efficient polymer solar cells (PSCs) because of their up-shifted energy levels, improved absorption as well as charge transportation performances. However, presently nonplanar NFAs always absorb the lights in the long-wavelength region and even to near-infrared (NIR) region, which limits their further utilization in low-bandgap polymer donor-based PSCs. To further probe the performances of nonplanar NFAs in low-bandgap polymer-based PSCs, a new twisted NFA (i-IF-4F) having indenofluorene derivatives as the electron-donating fused-ring core was synthesized. Due to the relatively weak electron-donating ability of the indenofluorene core, this newly designed NFA has wide optical bandgap (1.79 eV) with absorption spectrum ranged from 450 to 690 nm, suitable lowest unoccupied molecular orbital (LUMO, -3.71 eV) and highest occupied molecular orbital (HOMO, -5.55 eV) energy levels, which ensure its matching well with the typically low-bandgap polymer (PTB7-Th) to achieve complementary absorption and proper differences in energy levels. After thermal annealing treatment, the film morphologies, charge transfer properties and charge recombination performances of i-IF-4F:PTB7-Th-based device was improved to a certain degree, leading to an optimized power conversion efficiency (PCE) of 6.47%. The work in this manuscript demonstrates the applicability of wide-bandgap twisted acceptors in PSCs and the possible approach to further improve the performances of wide-bandgap nonplanar acceptors in PSCs.
关键词： Polymer solar cells,Indenofluorene,Main-chain twisted small molecules,Wide bandgap non-fullerene acceptors
更新于2025-09-23 15:21:01
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Harnessing Natural Product Diversity for Fluorophore Discovery: Naturally Occurring Fluorescent Hydroxyanthraquinones from the Marine Crinoid <i>Pterometra venusta</i>
摘要： Fluorescent small molecules are important tools in many aspects of modern biology. A two-stage evaluation process involving fluorescence screening and live-cell imaging was developed to facilitate the identification of new fluorescent probes from extracts housed within the NCI Natural Products Repository. To this end, over 2000 extracts and prefractionated samples were examined, including an extract from the marine crinoid Pterometra venusta. An optically guided evaluation involving stepwise fluorescence screening and live-cell imaging was developed to enable the isolation of fluorescent natural products. These efforts resulted in the isolation of six hydroxyanthraquinone compounds, three of which are new natural products. These purified metabolites were examined for their potential as cellular imaging probes, and they demonstrate that natural product libraries can be a good source of new fluorescent agents.
关键词： natural products,fluorescent small molecules,Pterometra venusta,hydroxyanthraquinones,cellular imaging
更新于2025-09-23 15:21:01
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Spherical Covalent-Organic Framework for Enhancing Laser Desorption/Ionization Mass Spectrometry of Small Molecules
摘要： A spherical vinyl-functionalized covalent-organic framework (COF-V) was room-temperature prepared by a facile method and applied as a novel substrate for surface-enhanced laser desorption/ionization mass spectrometry (SELDI-MS). Compared with conventional organic matrices, the spherical COF-V with high crystallinity and good monodispersity exhibited high sensitivity, no matrix background interference, wide-range applicability, high salt tolerance and reproducibility in the characterization of small molecules. On this basis, the applicability of the spherical COF-V-based SELDI-MS method was successfully demonstrated by determining trace glucose in diabetic urine, which would be a promising candidate for clinical diagnosis of diabetes. In addition, the morphological effect and desorption/ionization mechanism of COF-V were investigated in detail and the results indicated the spherical COF-V substrate could greatly enhance LDI process compared with bulk COF-V. This work not only extends the application of COFs in MS, but offers a promising alternative for small molecule identification and clinical diagnosis of diabetes.
关键词： spherical COF-V,clinical diagnosis,glucose,SELDI-MS,small molecules
更新于2025-09-23 15:19:57