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Defect passivation is nowadays considered a must‐have route for high‐efficiency perovskite solar cells. However, a general rule that correlates the choice of passivating agents with performance enhancements is still missing. Herein, two different thiophene salts that are used as passivating agents are compared, namely thiophene methylammonium chloride and thiophene ethylammonium chloride (TEACl), which are used for the passivation of bulk and surface defects in triple‐cation‐based metal halide perovskites. First, it is observed that the surface passivation method leads to better device performances reaching a power conversion efficiency of 23.56%, with reduced voltage losses and increased fill factor when compared with the reference. Second, it is demonstrated that the chemical structure of the cation dictates its capability either in passivating bulk defects effectively or to form a superficial two‐dimensional/three‐dimensional heterostructure, which happens only for the TEACl case. The chemical composition and the cation dimension are responsible for device performance enhancement as observed by a joint spectroscopic and density functional theory simulations study, providing rational guidelines for further smart device design. [ABSTRACT FROM AUTHOR]

3,4‐Appended thiophene monomers furnish unique optoelectronic properties due to electronic and steric effects on the donor unit. Here, we have demonstrated a new polymer synthesis by direct arylation polycondensation of 9,10‐dihydro‐9,10‐[3,4]thiophenoanthracene, a thiophene‐based monomer. Chloride‐promoted direct arylation polycondensation of 9,10‐dihydro‐9,10‐[3,4]thiophenoanthracene with dibromo monomers with acetate in N,N‐dimethylacetamide gave conjugated alternating copolymers. The obtained polymer had a molecular weight of 38,000 and exhibited high film‐forming ability. The optical and electrochemical properties of the polymers were also discussed. [ABSTRACT FROM AUTHOR]

Gas chromatography–ion mobility spectroscopy (GC-IMS) was used to analyze the volatile components in dried Hypsizygus marmoreus of different drying methods, including hot air drying (HAD), heat pump drying (HPD), heated freeze-drying (HFD), and unheated freeze-drying (UFD). A total of 116 signal peaks corresponding to 96 volatile compounds were identified, including 25 esters, 24 aldehydes, 23 alcohols, 13 ketones, 10 heterocyclic compounds, 8 carboxylic acids, 7 terpenes, 3 sulfur-containing compounds, 2 nitrogen-containing compounds, and 1 aromatic hydrocarbon. The total content of volatile compounds in H. marmoreus dried by the four methods, from highest to lowest, was as follows: HAD, HPD, HFD, and UFD. The main volatile compounds included carboxylic acids, alcohols, esters, and aldehydes. Comparing the peak intensities of volatile compounds in dried H. marmoreus using different drying methods, it was found that the synthesis of esters, aldehydes, and terpenes increased under hot drying methods such as HAD and HPD, while the synthesis of compounds containing sulfur and nitrogen increased under freeze-drying methods such as HFD and UFD. Nine common key characteristic flavor compounds of dried H. marmoreus were screened using relative odor activity values (ROAV > 1), including ethyl 3-methylbutanoate, acetic acid, 2-methylbutanal, propanal, methyl 2-propenyl sulfate, trimethylamine, 3-octanone, acetaldehide, and thiophene. In the odor description of volatile compounds with ROAV > 0.1, it was found that important flavor components such as trimethylamine, 3-octanone, (E)-2-octenal, and dimethyl disulfide are related to the aroma of seafood. Their ROAV order is HFD > UFD > HPD > HAD, indicating that H. marmoreus using the HFD method have the strongest seafood flavor. The research findings provide theoretical guidance for selecting drying methods and refining the processing of H. marmoreus. [ABSTRACT FROM AUTHOR]

Photocatalysis is widely recognized as an efficient and environmentally friendly pathway for the conversion of solar energy into chemical energy. In recent years, designing efficient hydrogen evolution to obtain green clean energy has been one of the major challenges faced by researchers. Covalent organic frameworks (COFs) are considered as new and effective photocatalyst due to the inherent porosity, high crystallinity and structural adjustability. In this study, two metal-free thiophene-based covalent organic frameworks (JLNU-308 and JLNU-309) were constructed by solvothermal method through effective modulation sites. Because JLNU-COFs has a narrow band gap and good absorption capacity in the spectral range, the interfacial charge transfer speed is accelerated to solve the problem of low charge separation efficiency. Remarkably, JLNU-309 displays an impressive hydrogen evolution rate of 2868.57 μmol g−1 h−1 under visible light irradiation (λ > 420 nm). The superior hydrogen evolution reaction (HER) activity is due to the triazine units, which have high visible light absorption capacity, one-dimensional nanochannels of two-dimensional COFs and synergy with charge mobility. The photoelectrochemical measurements and calculation of density functional theory (DFT) supports the accuracy of the experiment. This work opens an avenue for constructing functional covalent organic frameworks for environmentally relevant critical applications. In addition, the simple synthesis process, excellent activity and high chemical stability indicate that JLNU-COFs are promising photocatalytic hydrogen production materials. • Two metal-free covalent organic frameworks were prepared for PHE. • JLNU-309 exhibited HER of up to 2868.57 μmol g−1 h−1, the AQY was 3.05% at 450 nm. • Triazine units can accelerate the interfacial charge transfer, inhibit the electron-hole recombination. [ABSTRACT FROM AUTHOR]

Electrically conductive metal–organic frameworks (cMOFs) have garnered significant attention in materials science due to their potential applications in modern electrical devices. However, achieving effective modulation of their conductivity has proven to be a major challenge. In this study, we have successfully prepared cMOFs with high conductivity by incorporating electron‐donating fused thiophen rings in the frameworks and extending their π‐conjugated systems through ring‐closing reactions. The conductivity of cMOFs can be precisely modulated ranging from 10−3 to 102 S m−1 by regulating their dimensions and topologies. Furthermore, leveraging the inherent tunable electrical properties based on topology, we successfully demonstrated the potential of these materials as chemiresistive gas sensors with an outstanding response toward 100 ppm NH3 at room temperature. This work not only provides valuable insights into the design of functional cMOFs with different topologies but also enriches the cMOF family with exceptional conductivity properties. [ABSTRACT FROM AUTHOR]

In the present study, we have demonstrated the synthesis of zirconia (ZrO2) and polythiophene (PTh)-based nanocomposite (ZrO2/PTh) for supercapacitors (SCs). The synthetic method was found to be efficient and low-cost. The ZrO2/PTh was characterised using different analytical techniques. The electrochemical investigations have been conducted using cyclic voltammetry, galvanostatic charge–discharge, and electrochemical impedance spectroscopy, respectively. The maximum specific capacitance of ZrO2/PTh was found to be 341.3 F/g under a three-electrode system. Cyclic stabilities of ZrO2/PTh have been evaluated to be 88.6% and 81.7% after 5000 cycles under three and two electrode systems, respectively. The power densities of ZrO2/PTh were found to be 1830.4, 1659.6, 1000.8, 750, 667.2, and 333.3 W/kg at energy densities of 0.3, 0.4, 0.6, 0.7, 1.2, and 1.9 Wh/kg, respectively. [ABSTRACT FROM AUTHOR]

[Display omitted] • A novel method has been established to incorporate thiophene groups into metal–organic frameworks. • The incorporation of thiophene groups greatly enhances the photocatalytic activity of metal–organic frameworks. • A positive correlation has been confirmed between thiophene content and photocatalytic activity. • AgTz-4 can rapidly and efficiently degrade organic pollutants under ultra-violet irradiation. In this work, thiophene moieties (as the crucial functional groups) have been successfully incorporated into the skeleton of metal–organic frameworks (MOFs) by using thienyl-substituted triazole ligands. Reaction of AgCF 3 SO 3 with 3-phenyl-5-(2-thienyl)-1,2,4-triazole (PTTzH) or 3,5-bis(2-thienyl)-1,2,4-triazole (BTTzH) afforded two isostructural MOFs (AgTz-3 and AgTz-4) in gram-scale. AgTz-4 with higher thiophene content showed significantly stronger photocatalytic activity than AgTz-3 with lower thiophene content. Noteworthy, the photodegradation rate constants of AgTz-4 were 0.055 mg·L-1·min-1 for rhodamine B and 0.24 min−1 for salazosulfapyridine, which is comparable or even higher than some MOF-based materials reported in the literature. More importantly, AgTz-4 demonstrated good reusability and stability after four cycles of photodegradation. Our experimental results revealed that the enhanced photodegradation efficiency can be attributed to the increased light absorption capacity and optimized band structure of Ag-MOFs resulting from the introduction of thiophene groups into MOF structures. [ABSTRACT FROM AUTHOR]

The reaction of bis‐2‐(methylthiocarbonothioyl)hydrazone with the appropriate hydrazonoyl halides in 1,4‐dioxane in the presence of triethylamine at reflux yielded a novel series of bis(1,3,4‐thiadiazoles) linked to a thieno[2,3‐b]thiophene core. The reaction of the appropriate α‐ketohydrazonoyl halides or α‐haloketones with the corresponding bis(2‐carbamothioylhydrazone) in ethanol at reflux in the presence of a few drops of triethylamine produced good yields of novel bis‐thiazoles linked to the thieno[2,3‐b]thiophene core as novel hybrid molecules. Elemental analyses and spectral data were used to determine the structures of the novel compounds. The antibacterial activity of newly synthesized compounds was evaluated. The MIC determination using resazurin was studied for the most reactive compounds. The pharmacokinetic properties were evaluated by in silico ADMET analysis. [ABSTRACT FROM AUTHOR]

[1]Benzothieno[3,2‐b][1]benzothiophenes (BTBTs) are important molecules that have been extensively studied as high‐performance organic field‐effect transistors (OFETs). Therefore, it is important to develop a simple synthetic method for these molecules. In this paper, a synthetic method to obtain the BTBTs from 2‐arylbenzo[b]thiophenes and elemental sulfur, in which two C−S bonds are formed at once, is described. In this method, molecular iodine plays a very important role as an additive. The role of iodine is discussed in the presumed reaction pathways. [ABSTRACT FROM AUTHOR]

With the oxygen conversion efficiency of metal‐free carbon‐based fuel cells dramatically improved, the building blocks of covalent organic frameworks (COFs) raised principal concerns on the catalytic active sites with indistinct electronic states. Herein, to address this issue, we demonstrate COFs for oxygen reduction reaction (ORR) by regulating the edge‐hanging thiophene units, and the molecular geometries are further modulated via positional thiophene isomerization strategy, affording isomeric COF‐α with 2‐substitution and COF‐β with 3‐substitution on the frameworks. The electronic states and intermediate adsorption ability are well‐regulated through geometric modification, resulting in controllable chemical activity and local density of π‐electrons. Notably, the introduction of thiophene units with different substitution positions into a pristine pure carbon‐based COF model COF‐Ph achieves excellent activity with a half‐wave potential of 0.76 V versus the reversible hydrogen electrode, which is higher than most of those metal‐free or metal‐based electrocatalysts. Utilizing the combination of theoretical prediction and in situ Raman spectra, we show that the isomeric thiophene skeleton (COF‐α and COF‐β) can induce the dangling unit activation, accurately identifying the pentacyclic‐carbon (thiophene α‐position) adjacent to sulfur atom as active sites. The results suggest that the isomeric dangling groups in COFs are suitable for the ORR with promising geometry construction. [ABSTRACT FROM AUTHOR]

The present work describes the synthesis of two cholesterol appended cyanostyryl thiophene positional isomers CS-1 and CS-2 and their stimuli responsive solid state emission and liquid crystalline properties. Both compounds showed enhanced emission in the solid state due to their aggregation-induced emission (AIE). Interestingly, CS-1 and CS-2 showed emission switching under the influence of thermal and/or mechanical stimuli. The difference in emission properties of pristine CS-1 and its melt processed sample CS-1M is attributed to the formation of two different crystalline phases. The powder X-ray diffractogram simulated from the single crystal X-ray diffraction data of CS-1 and CS-1M showed similar features indicating that the molecules in the melt cooled phase adopt a packing similar to the one observed in the single crystal. In addition to heat-induced changes in fluorescence properties, compound CS-2 showed mechanofluorochromism and methanol vapour-induced reversible emission switching. The observed emission switching in CS-2 under thermal and shear stress was due to crystalline to amorphous transition. The emission recovery from the ground sample of CS-2 under methanol vapours was attributed to the reversible transition from amorphous to a crystalline phase similar to pristine CS-2. A detailed analysis of various photophysical parameters of the compounds under different stimuli is reported. The liquid crystalline properties of the compounds were studied using polarizing optical microscopy (POM), differential scanning calorimetry (DSC), and X-ray diffraction (XRD) measurements. Both CS-1 and CS-2 showed the formation of an enantiotropic cholesteric (N*) liquid crystalline phase. Interestingly, the N* phase in CS-1 and CS-2 was stabilized down to room temperature in a glassy state. [ABSTRACT FROM AUTHOR]

The fabrication of a multimodal phototheranostic platform on the basis of single‐component theranostic agent to afford both imaging and therapy simultaneously, is attractive yet full of challenges. The emergence of aggregation‐induced emission luminogens (AIEgens), particularly those emit fluorescence in the second near‐infrared window (NIR‐II), provides a powerful tool for cancer treatment by virtue of adjustable pathway for radiative/non‐radiative energy consumption, deeper penetration depth and aggregation‐enhanced theranostic performance. Although bulky thiophene π‐bridges such as ortho‐alkylated thiophene, 3,4‐ethoxylene dioxythiophene and benzo[c]thiophene are commonly adopted to construct NIR‐II AIEgens, the subtle differentiation on their theranostic behaviours has yet to be comprehensively investigated. In this work, systematical investigations discovered that AIEgen BT‐NS bearing benzo[c]thiophene possesses acceptable NIR‐II fluorescence emission intensity, efficient reactive oxygen species generation, and high photothermal conversion efficiency. Eventually, by using of BT‐NS nanoparticles, unprecedented performance on NIR‐II fluorescence/photoacoustic/photothermal imaging‐guided synergistic photodynamic/photothermal elimination of tumors was demonstrated. This study thus offers useful insights into developing versatile phototheranostic systems for clinical trials. [ABSTRACT FROM AUTHOR]

The evolution of the synthesis of a benzothiophene‐2‐yl‐boronic acid ‐ a key building block for the anti‐cancer agent Rogaratinib ‐ is reported from multi‐gram scale to industrialization. The pitfalls and learnings during process development are outlined, describing the optimization of the initial research synthesis route, investigation of an alternative approach based on a palladium‐catalyzed Newman‐Kwart rearrangement and finally changing the synthetic strategy from thiophene‐construction to benzene‐ring formation. Although the initial route was utilized to deliver material on kg‐scale, the requirements for market‐supply triggered the decision to pursue a new synthetic route. Catalyst costs, high purity‐requirements, and not the least technical practicality caused the change to a synthesis with indeed higher step‐count. However, this could be mitigated by repeated application of a telescoping approach. The free boronic acid was finally selected and manufactured as a stable isolated intermediate after challenges like proto‐deboronation and trimerization to boroxine upon drying could be solved by an optimized crystallization procedure. [ABSTRACT FROM AUTHOR]

This study reports on a metal-free Covalent Triazine Framework (CTF) incorporating bithiophene structural units (TP-CTF) with a semicrystalline structure as an efficient heterogeneous photocatalyst under visible light irradiation. The physico-chemical properties and composition of this material was confirmed via different characterization solid-state techniques, such as XRD, TGA, CO2 adsorption and FT-IR, NMR and UV-Vis spectroscopies. The compound was synthesized through a solvothermal process and was explored as a heterogeneous photocatalyst for the oxidative coupling of amines to imines under visible light irradiation. TP-CTF demonstrated outstanding photocatalytic activity, with high conversion rates and selectivity. Importantly, the material exhibited exceptional stability and recyclability, making it a strong candidate for sustainable and efficient imine synthesis. The low bandgap of TP-CTF enabled the efficient absorption of visible light, which is a notable advantage for visible-light-driven photocatalysis. [ABSTRACT FROM AUTHOR]

An environmentally friendly and sustainable approach was adopted to produce a molecularly imprinted polymer (MIP) via electropolymerization, with remarkable electrochemical sensing properties, tested in tyrosine (tyr) detection. The 2,2′-bis(2,2′-bithiophene-5-yl)-3,3′-bithianaphtene (BT2-T4) was chosen as functional monomer and MIP electrosynthesis was carried out via cyclic voltammetry on low-volume (20 μL) screen-printed carbon electrodes (C-SPE) in ionic liquid 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ((BMIM) TFSI). An easy and rapid washing treatment allowed us to obtain the resulting MIP film, directly used for tyr electrochemical detection, carried out amperometrically. The sensor showed a linear response in the concentration range of 15–200 μM, with LOD of 1.04 µM, LOQ of 3.17 μM and good performance in selectivity, stability, and reproducibility. Tyrosine amperometric detection was also carried out in human plasma, resulting in a satisfactory recovery estimation. The work represents the first use of BT2-T4 as a functional monomer for the production of a molecularly imprinted polymer, with a green approach afforded by using a few microliters of a room temperature ionic liquid as an alternative to common organic solvents on screen-printed carbon electrodes, resulting in a valuable system that meets the green chemistry guidelines, which is today an essential criterion in both research and application field. [ABSTRACT FROM AUTHOR]

Novel thiophene Schiff base ligand (L) was synthesized through the condensation of 2‐thiophene‐methylamine and 3‐formyl‐4‐methoxyphenylboronic acid. Transition metal complexes with the formulae [M(L)(H2O)2Cl]Cl2.xH2O (M = Er(III), x = 4 and La(III), x = 5) and [M(L)(H2O)Cl2]Cl.xH2O (M = Yb(III), x = 4 and Ru(III), x = 0) were synthesized. Different spectral and physicochemical methods were used to confirm and identify the stoichiometry, structure, and bonding style of transition metal chelates. The creation of 1:1 molar ratio (M:L) complexes was supported by elemental data. According to IR spectra, the thiophene Schiff base ligand (L) acted as a tridentate ligand that is neutrally coordinated by S‐thiophene, N‐azomethine, and o‐methoxy groups. All chelates formed in octahedral structures according to the findings data. Thermogravimetric analysis (TG and DTG) was employed to examine the heat decomposition of these compounds. DFT/B3LYP method, a molecular modeling methodology, is used to support the expected shape of the produced ligand. Chemical hardness and softness, HOMO and LUMO energy levels, electrophilic index, bond lengths, angles, dipole moment, electronegativity, and other factors were calculated. Against HepG‐2 cell line, the in vitro anticancer activity of all chelates and free ligands was evaluated. These synthesized compounds showed good effectiveness. Additionally, DPPH scavenging was used to assess antioxidant activity, with extremely positive results. Molecular docking with the hepatic protein receptor 3ELJ was used to confirm the anticancer results. Finally, the effectiveness of the current thiophene ligand's ability to block Al‐Si alloys in 1 M HCl solution was examined utilizing electrochemical methods. The high inhibition efficiency was obtained revealing the effectiveness of using this thiophene Schiff base ligand on an industrial scale. [ABSTRACT FROM AUTHOR]

It is known that compounds containing sulfur in their structure have a wide range of biological activities, such as antibacterial, antiallergic, antimicrobial, anticancer, and anticonvulsant. In addition, nitrogen-containing heterocyclic compounds are also found in nature and the structure of drugs. Various compounds, such as piperidine and its derivatives, are also widely used in the synthesis of many drugs. Various Schiff bases have been synthesized in drug development studies, and they have been used in clinical applications as drugs and drug candidates. In this context, the synthesis of new thiophene-based Schiff bases containing piperidine rings is aimed. Green chemistry objectives were adhered to in the syntheses. Thiophene-2-carbaldehyde and piperidine derivatives were used as starting compounds, and new compounds containing thiophene-based piperidine were synthesized without adding any catalyst or solvent to the reaction medium. The desired Schiff base compounds were successfully synthesized in high yield and in a short time. [ABSTRACT FROM AUTHOR]

Poly(propylene 2,5-furandicarboxylate) is a kind of bio-based polyester, but the raw material (2,5-furandicarboxylic acid) is expensive. The purpose of this study is to investigate the effect of cheap 2,5-thiophenedicarboxylic acid on the synthesis and properties of poly(propylene 2,5-furandicarboxylate). 2,5-Furandicarboxylic acid, 2,5-thiophenedicarboxylic acid, and 1,3-propanediol were used to synthesize poly(propylene 2,5-furandicarboxylate), poly(propylene 2,5-thiophenedicarboxylate), and poly(propylene 2,5-furandicarboxylate-co-propylene 2,5-thiophenedicarboxylate). The thermal properties, dynamic mechanical properties, and rheological properties were characterized. The structures and properties of the copolymers were compared with those of two homopolymers. Fourier transform infrared spectroscopy and nuclear magnetic resonance spectra suggested that the copolymers were successfully synthesized. Differential scanning calorimetry and wide-angle X-ray diffraction results showed that poly(propylene 2,5-thiophenedicarboxylate) exhibited better crystallization ability. Compared with poly(propylene 2,5-furandicarboxylate), poly(propylene 2,5-thiophenedicarboxylate) is more prone to βrelaxation due to the larger angle between the two carbonyl groups connected to the thiophene ring and sulfur atom with weaker electronegativity. [ABSTRACT FROM AUTHOR]

Edge structures, thiophene adsorption and hydrodesulfurization (HDS) mechanisms are investigated on the S-edge of triangular MoS2 nanoclusters using density functional theory. The calculated formation energies for different S coverages on the S-edge suggest that the formation of coordinative unsaturated site at the vertex and edge-I (close to the vertex) sites is preferred over the edge-II (away from the vertex) sites. The adsorption of thiophene on the top site of Mo atom mainly occurs at the edge-I, whereas bridge adsorption occurs at the edge-II. The 92% and 50% S-edge coverages involve relatively larger adsorption energies (− 0.68 and − 0.79 eV) among all the possible adsorption configurations. On the S edge with 92% S coverage, the hydrogenation route is more favorable, producing 1-butene. On the S edge with 50% S coverage, the direct desulfurization route is preferred, yielding butadiene. These findings deepen the understanding of edge structures of MoS2 nanoclusters and the corresponding HDS mechanisms for MoS2-based HDS catalysts. [ABSTRACT FROM AUTHOR]

The photocatalytic antibacterial method is one of the most effective and "green" methods for treating multidrug resistant (MDR) bacteria-caused infections. The most critical scientific question is how to improve the antibacterial efficiency of photosensitizers (PS). Herein, an organic-conjugated-polymer photocatalyst poly((E)-5-(2,5-dihydroxy-4-methylphenyl)-5′-(2-(5-methylthiophen-2-yl)vinyl)-[2,2'-bithiophene]-4-carboxylic acid) (PTH-COOH-(OH)2) has been successfully synthesized. A new route for developing highly active organic-conjugated-polymer photocatalysts for environmental purification via the proper expansion of the backbone conjugate structure and the introduction of effective groups such as carboxyl and hydroxyl groups is proposed. The visible-light photocatalytic activities of PTH-COOH-(OH)2 were evaluated against methicillin-resistant Staphylococcus aureus (MRSA), Staphylococcus epidermidis (S. epidermidis) and Escherichia coli (E. coli) under LED white light. A very high antimicrobial efficiency was achieved for optimized 0.3 mg mL−1 PTH-COOH-(OH)2 under visible light illumination. Over 7 log of MRSA was killed in 3 h, 7 log of S. epidermidis was killed in 3 h, and 93.3% decomposition of E. coli was achieved in 3 h. These photoantimicrobial effectiveness values are among the most widely published for conjugated polymer photocatalysts. The findings of trapping studies and electron spin resonance (ESR) spectroscopic investigations indicated that during the photocatalytic antimicrobial process, ·OH, 1O2, ·O2−, and e− are largely reactive oxygen species (ROS). Importantly, following recycling processes, the PTH-COOH-(OH)2 photocatalyst demonstrated satisfactory stability and excellent photocatalytic activity. The organic-conjugated-polymer photocatalysts poly((E)-5-(2,5-dihydroxy-4-methylphenyl)-5′-(2-(5-methylthiophen-2-yl)vinyl)-[2,2′-bithiophene]-4-carboxylic acid) (PTH-COOH-(OH)2) is successfully synthesized using the Stille coupling reaction. PTH-COOH-(OH)2 exhibits more outstanding photocatalytic antibacterial activity and stability, and has broad-spectrum antibacterial efficacy that can kill Gram-positive bacteria (MRSA, Staphylococcus epidermidis) and Gram-negative bacteria (Escherichia coli) under visible light irradiationtreat. The highly photocatalytic antibacterial active is developed via the proper expansion of the backbone conjugate structure and the introduction of effective groups such as carboxyl and hydroxyl groups. [ABSTRACT FROM AUTHOR]

Interfacial defects between the organic–inorganic lead halide perovskite and hole‐transporting layers are one significant factor limiting the performance of the perovskite solar cells (PSCs). These defects typically result from either lead or halide atom vacancies or under‐coordinated Pb2+ atoms, which act as recombination centers for holes. To address this, it is demonstrated that a thin layer of a poly(bithiophene ester) (PBTE) or a poly(terthiophene diester) (PTTDE) introduced between the FA0.92MA0.08Pb(I0.92Br0.08)3 (MA+ = methylammonium; FA+ = formamidinium) perovskite and spiro‐OMeTAD hole transporting material (HTM) layers improves the device stability and power‐conversion efficiency (PCE). The PCE improvements are primarily associated with enhanced open‐circuit voltage and fill factor arising from Lewis‐base passivation of under‐coordinated Pb2+ through interaction with the polymer carbonyl groups, as well as enhanced charge transfer between the perovskite and HTM layers facilitated by the conjugated thiophene functionalities of the polymeric interlayer. Furthermore, the examined polymers improve the thermal and moisture stability of the devices. Encapsulated PSCs with PBTE and PTTDE retain 89 ± 1 and 94 ± 3% of their initial PCE after 1440 h at 65 °C under 0.5‐sun irradiation, respectively, while PSCs without a polymeric interlayer lose almost half of the performance. These results can guide future designs of polymeric interlayers for high‐performance PSCs. [ABSTRACT FROM AUTHOR]

BACKGROUND: The exploration of novel photosensitizers with reverberant optoelectronic features for dye‐sensitized solar cells (DSSCs) is a frontline area of research. In this respect, attempts have been made to design a series of novel organic dyes (JFK‐1–JFK‐10) with D‐π‐A framework by π‐spacer modification strategy. The suitability of developed sensitizers for DSSCs applications is confirmed by executing natural bond orbital (NBO) analysis, transition density matrix (TDM) analysis, frontier molecular orbital (FMO) analysis, density of state (DOS) analysis, binding energy (Eb), electron regeneration energy (ΔGreg), free energy of injection (ΔGinject), electronic coupling constant (VRP), and intramolecular charge transfer (ICT) parameters qCT (e‐), DCT (Å), H index (Å), ∆(Å), t index (Å), μCT (D). RESULTS: The calculated results of these analyses show that replacing the thiophene (B0) π‐spacer with extended conjugated thiazole and thiophene as a π‐spacer (B1‐B10) results in significantly lowered FMO energy levels, broader λmax values, and ICT parameters respectively. All the proposed dyes could be used as excellent sensitizers for DSSCs; the B9 spacer in JFK‐9 makes JFK‐9 a highly efficient candidate for the high‐efficiency of DSSCs due to promising photovoltaic characteristics, like the reduced Egap (4.386 eV), longer λmax(427.989 nm), longer excited state lifetimes (1.483 ns), a lower ΔGreg (1.807 eV), a greater dipole moment of (9.475 D), and large qCT (0.546), LHE (0.981), and eVOC (1.729 eV). CONCLUSION: The fabricated dyes' (F1‐F9) photoelectronic and chemical transfer parameters near the titania‐electrolyte interface (dyes@TiO2) proved have better accumulation and recombination of dyes@TiO2 model. The adsorption energies calculated of all compounds provide a deep insight into adsorption and charge transfer to a semiconductor TiO2 conduction band. Hence, these modeled dyes (JFK‐1‐JFK‐10) could be used as efficient DSSCs and open new avenues for researchers to synthesize high‐performance DSSCs. © 2024 Society of Chemical Industry (SCI). [ABSTRACT FROM AUTHOR]

Despite impressive advances achieved in poly(3‐alkylthiophene)s (P3ATs) and P3AT‐based block copolymers (BCPs), the investigation into their ortho‐connected systems, poly(5‐alkylthiophene)s (P5ATs) and P5AT‐based BCPs is rather limited. Moreover, the aggregation behavior of P5ATs and their BCPs remains largely less understood. Herein, we report, for the first time, the judicious design and synthesis of a family of poly(5‐butylthiophene)‐block‐poly(5‐hexylthiophene) (P5BT‐b‐P5HT) BCPs with adjustable block ratios and reveal the effects of block ratios and thermal annealing process on their aggregated structures. Moreover, the optical properties of P5BT‐b‐P5HT BCPs have been investigated, which differs greatly from P3ATs. Overall, this work offers valuable insight into the aggregation and optical properties of P5AT‐based BCPs, strengthening our fundamental understanding of ortho‐connected P5AT systems. [ABSTRACT FROM AUTHOR]

The aggravation of energy problems and the scarcity of lithium resources have forced us to look for new energy storage systems. Aluminum ion batteries, as a promising energy storage system, have the advantages of environmental friendliness and abundant aluminum resources, and have the potential for application in large‐scale energy storage and personal portable electronic devices. To solve the stability problem of aluminum ion batteries during cycling for large‐scale energy storage needs, we report a polythiophene‐based conductive polymer, poly(3,4‐dimethylthiophene) (PDMT), as a high performance cathode material for aluminum ion batteries. By introducing two methyl groups on the thiophene ring, we successfully adjust the local charge density of the heterocyclic thiophene, thus changing the electron delocalization characteristics, and improving the electrochemical reaction activity of the polythiophene (PTH) material as a redox electrode material. This also maintains the symmetry and regularity of the polymer structure, giving the material better cycling stability. The discharge specific capacity reaches 110 mAh g−1 at a current density of 200 mA g−1, far exceeding conventional PTH cathodes (~70 mAh g−1), and the capacity retention rate is 92.7 % after 1000 cycles. It also shows excellent rate performance due to the flexible structure of the conductive polymer. [ABSTRACT FROM AUTHOR]

Ternary polymerization are demonstrated as a feasible and successful method of optimizing absorption, energy level, and crystallinity by maintaining the excellent properties of a polymer matrix. However, the third unit inevitably interrupts the periodic sequence distribution of the ordering packing of conjugated backbones, and thus balancing the trade‐off between the advantages of the third component and the disruption caused by the nonperiodic sequence distribution remains a great challenge. Herein, two terpolymer donors L1 and L2 are developed by introducing diethyl‐5,5′"‐dibromo‐4,4′"‐bis(2‐ethylhexyl)‐[2,2′:5′,2′'‐terthiophene]‐3′,4′‐dicarboxylate (DDT) unit as the third component. Owing to the electron‐deficient ability and S···O non‐covalent intramolecular interactions of DDT, terpolymers L1 and L2 displays deeper energy levels, enhanced molecular rigidity, and planarity than PM6. After blending with L8‐BO, the L1‐based polymer solar cells exhibit well miscibility with L8‐BO, leading to a more well‐defined nanofibrous morphology, face‐on orientation, and a slight energy loss in the blend films. As a result, the optimized L1:L8‐BO‐based device achieves a record power conversion efficiency (PCE) as high as 18.75%. This work provides a feasible strategy to develop high‐performance polymer donors via utilizing S···O non‐covalent intramolecular interactions to improve the planarity of polymer donors. [ABSTRACT FROM AUTHOR]

The study of through‐space electronic coupling in π‐conjugated systems remains an underexplored area. In this work, we present the facile synthesis of two isomeric macrocycles (1 and 2) bridged by [2,2]paracyclophane (pCp) and based on thiophene. The structures of these macrocycles have been confirmed through X‐ray crystallographic analysis. Our investigation centers on their electronic properties across various redox states, with a specific focus on potential through‐space electronic coupling and global aromaticity. Experimental measurements, including UV‐vis‐NIR electronic absorption, NMR, ESR spectra, and X‐ray diffraction, combined with theoretical calculations, reveal that both the neutral compounds and their tetracations exhibit a closed‐shell ground state. However, their dications manifest as diradical dications with a subtle magnetic exchange interaction. Consequently, the through‐space electronic coupling facilitated by the pCp unit in their respective ground states appears to be weak. [ABSTRACT FROM AUTHOR]

Three sulfonate‐containing polyelectrolytes are elaborately designed and used to passivate perovskite film with the anti‐solvent method. Under the influence of the secondary monomer, three copolymers present various chemical configurations and deliver different modification effects. Fluorene‐thiophene copolymer STF has linear and highly‐conjugated chain. STF‐perovskite film presents large crystal grains. Fluorene‐carbazole copolymer SCF has flexible chain and easily enters into grain boundary areas. SCF‐perovskite film is homogenous and continuous. Fluorene‐fluorene copolymer SPF agglomerates on the surface and is not applicable to the anti‐solvent method. The full investigation demonstrates that STF and SCF not only conduct surface defect passivation, but also improve the film quality by being involved in the perovskite's crystallization process. Compared with the control device, the devices with STF and SCF deliver high efficiency and excellent stability. The unencapsulated devices with STF and SCT maintain ≈80% of the initial power conversion efficiency (PCE) after 40 days of storage under 30–40% relative humidity. SCF performs better and the device maintains 60% of the initial PCE after 20 days of storage under 60–80% relative humidity. [ABSTRACT FROM AUTHOR]

Tuning the morphology through processing additives represents one of the most promising strategies to boost the performance of organic solar cells (OSCs). However, it remains unclear how oligothiophene‐based solid additives influence the molecular packing and performance of OSCs. Here, two additives namely 2T and 4T, are introduced into state‐of‐the‐art PM6:Y6‐based OSCs to understand how they influence the film formation process, nanoscale morphology, and the photovoltaic performance. It is found that the 2T additive can improve the molecular packing of both donor polymer and non‐fullerene acceptor, resulting in lower Urbach energy and reduced energy loss. Furthermore, the blend film with 2T treatment displays enhanced domain purity and a more favorable distribution of the acceptor and donor materials in the vertical direction, which can enhance charge extraction efficiency while simultaneously suppressing charge recombination. Consequently, OSCs processed with 2T additive realize a promising efficiency of 18.1% for PM6:Y6‐based devices. Furthermore, the general applicability of the additive is demonstrated, and an impressive efficiency of 18.6% for PM6:L8‐BO‐based OSCs is achieved. These findings highlight that the uncomplicated oligothiophenes have excellent potential in fine‐adjustment of the active layer morphology, which is crucial for the future development of OSCs. [ABSTRACT FROM AUTHOR]

2D/2D Ni-MOF/g-C 3 N 4 nanocomposite was utilized for desulfurization. The multilayer pore structure and high specific surface area of Ni-MOF/g-C 3 N 4 promote the adsorption and conversion of thiophene. The Ni-MOF and g-C 3 N 4 construct a Z-scheme heterojunction structure with tight contact, it effectively enhances the material's photocatalytic redox ability. [Display omitted] • Highly efficient 2D/2D Ni-MOF/g-C 3 N 4 Z-scheme heterojunction photocatalysts were prepared. • The PODS system was constructed using O 2 from the air and H 2 O as the oxidant. • When utilizing 1–4-Ni-MOF/g-C 3 N 4 as a catalyst, the thiophene conversion reached 98.82 % within 3 h. • The PODS mechanism for was thiophene proposed based on DFT calculations and experimental studies. 2D/2D Ni-MOF/g-C 3 N 4 nanocomposite was utilized for desulfurization. The multilayer pore structure and high specific surface area of Ni-MOF/g-C 3 N 4 promote the adsorption and conversion of thiophene. In addition, the two-dimensional structure exposes more active centers and shortens photogenerated carrier migration to the material surface distance, it enhances photogenerated charge transfer. The Ni-MOF and g-C 3 N 4 construct a Z-scheme heterojunction structure with tight contact, it effectively enhances the material's photocatalytic redox ability. In the light, the material generates more photocarriers for the production of free radicals including hydroxyl radicals, holes, and superoxide radicals. The higher carrier concentration of Ni-MOF/g-C 3 N 4 promotes the activation and oxidation of thiophene, consequently enhancing the photocatalytic desulfurization capability. The results showed that the conversion of thiophene was 98.82 % in 3 h under visible light irradiation. Radical capture experiments and analysis using electron paramagnetic resonance spectroscopy demonstrated that superoxide radicals, holes, and hydroxyl radicals played crucial roles in PODS (photocatalytic oxidative desulfurization). In addition, DFT (density functional theory) calculations were conducted to determine the paths of electron migration and TH (thiophene) adsorption energy. Finally, a mechanism for photocatalytic desulfurization was proposed based on the comprehensive analysis of theoretical calculations and experimental studies. [ABSTRACT FROM AUTHOR]

Various sets of thiazole, thiophene, and 2-pyridone ring structures containing a dimethylaniline component were synthesized. Substituted thiazoles 2–3 and thiophenes 5–7 were produced by reacting thiocarbamoyl compound 4 with α-halogenated reagents in different basic conditions. Also, a series of 2-pyridone derivatives 9a–f substituted with dimethylaniline was synthesized through Michael addition of malononitrile to α,β-unsaturated nitrile derivatives 8a–f. The synthesized products were structurally proven by spectroscopic methods such as IR, 1H NMR, 13C NMR, and MS data. Furthermore, the anti-cancer efficacy of the compounds was assessed using the MTT assay on two cell lines: hepatocellular carcinoma (HepG-2) and breast cancer (MDA-MB-231). The results showed the highest growth inhibition for derivatives 2, 6, 7, and 9c, which were further examined for their IC50 values. The IC50 for compound 2 showed equipotent activity (IC50 = 1.2 µM) against the HepG-2 cell line compared to Doxorubicin (IC50 = 1.1 µM). Compounds 2, 6, 7 and 9c showed very good ADME assessments for further drug administration. Moreover, the PASS theoretical prediction for the compounds showed high antimitotic and antineoplastic activities for compounds 2, 6, 7, and 9c, as well as potent inhibition activity for the insulysin enzyme (IDE). Molecular docking stimulations were performed on CDK1/CyclinB1/CKS2 (PDB ID: 4y72) and BPTI (PDB ID: 2ra3). When docked into (PDB ID: 4y72), all of the tested compounds showed considerable inhibition, and the 2-pyridone derivative 9d had the maximum binding affinity (− 8.1223 kcal/mol). While thiophene derivative 6 offered the maximum binding affinity (− 7.5094 kcal/mol) when docked into (PDB ID: 2ra3). [ABSTRACT FROM AUTHOR]

Incorporation of siloxane-functionalized units into polymers backbone has proven to be an efficient strategy to improve photovoltaic performance. In this work, a low-cost siloxane-containing unit was developed to construct a series of terpolymers, and the effects of siloxane on the polymer performance were systematically studied. Different contents of thiophene containing siloxane-functionalized side chain were introduced into PM6 to obtain a series of polymers (PM6, PM6-SiO-10, PM6-SiO-20 and PM6-SiO-30). The siloxane-functionalized side chains in polymers have only a slight effect on the absorption behavior and frontier molecular orbitals. However, when the siloxane content increased, the terpolymers' aggregation property decreased and the temperature-dependency increased, leading to improved donor-acceptor compatibility. The power conversion efficiency (PCE) based on PM6:Y6, PM6-SiO-20:Y6 and PM6-SiO-30:Y6 devices was 15.64%, 16.03% and 15.82%, respectively. In comparison, the active layer based on PM6-SiO-10:Y6 exhibits the most appropriate phase separation morphology, resulting in effective exciton dissociation, more balanced hole-electron transport and less recombination. Consequently, the highest PCE of 16.69% with an outstanding short-circuit current density of 26.96 mA·cm−2 was obtained, which are one of the highest values for siloxane-functionalized polymer-based devices. This work demonstrates that finely controlling the content of siloxane-functionalized thiophene is beneficial for obtaining high-performance terpolymer donors and provides a novel and low-cost method to improve photovoltaic performance. [ABSTRACT FROM AUTHOR]

[Display omitted] A convenient and efficient synthesis of 3-{[6-(7-chloro- benzo[ b ]thiophen-2-yl)-1 H -indol-1-yl]methyl}-1 H -pyrazole- 5-carboxylic acid (NL3), which is currently among the most active and promising bacterial cystathionine γ-lyase (bCSE) inhibitors, has been developed. It is based on shifting the key stage of [Pd]-catalyzed cross-coupling of the indole and benzothiophene counterparts to the beginning of the synthetic scheme, with the polarity reversal of the components being coupled, to give 6-(7-chlorobenzo[ b ]thiophen-2-yl)-1 H - indole as the key intermediate. The STD NMR method was used to estimate the NL3 compound obtained in the optimized synthesis as a ligand to saCSE (the main producer of H 2 S in pathogenic S. aureus). [ABSTRACT FROM AUTHOR]

Natural dye sensitizers are substances that are sensitive to light colour and can be classified into several classes based on their chemical structure. Theaflavin pigments are unexplored natural dyes used as light sensitizers derived from black tea waste. However, the efficiency of natural dye-sensitized solar cells (DSSC) is lower than that of synthetic ones. To increase the efficiency, an amine donor molecule, a thiophene bridge, and a cyanoacrylic acid anchoring group were added. This improvement was achieved by comparing the LHE values, absorption shifts towards the red spectrum, and electronic parameters before and after modification of the theaflavin structure. This study aimed to analyze the effect of a fused thiophene bridge on the colour pigment of theaflavin on the electronic and optical properties of DSSC. TDDFT was employed with the hybrid functional B3LYP and def2-SVP. The calculated results concluded that adding fused thiophene can shift the wavelength with a maximum value of 256 nm and an increase in LHE of 40%. The addition of five thiophenes can shift the absorption wavelength closer to the red spectrum and satisfy the electronic properties of the DSSC, and the number of electron donor and acceptor sites obeying the law of conservation of charge. [ABSTRACT FROM AUTHOR]

Anions of carboxylic acids are widely used as the promoters of ruthenium-catalyzed reactions of C—H activation of substrates containing an N-donar directing group. The promoting effect of structure of anions of aliphatic and (hetero)aromatic carboxylic acids on the C—H arylation of benzene, furan, and thiophene rings in benzo[d]imidazol-2-yl-(hetero)arenes, wherein the benzimidazole moiety played the role of N-donor directing group, was evaluated. It was found that the structural effect of carboxylate anion on the efficiency of promotion of the catalytic system can significantly vary upon the arylation of different substrates. Adamantane-1-carboxylic acid was proposed as the most effective and universal promoter, based on which a new efficient catalytic system was developed for the selective arylation of benzo[d]imidazol-2-yl-(hetero)arenes. [ABSTRACT FROM AUTHOR]

Thiophene, as an important sulfur‐containing heterocyclic, is widely used in pharmaceuticals, functional materials, and natural products. Furthermore, thiophene is of great interest to synthetic chemists due to its diverse reactivities. Over the past few decades, many synthetic strategies are developed for functionalized thiophenes. Several reviews have been reported. However, there is no review on thiophene synthesis summarized based on the sulfur sources. The current review envisioned to summary the synthesis methods for thiophene with the respect of sulfur sources and give support for choose the appropriate tools to obtain thiophene substrates. [ABSTRACT FROM AUTHOR]

INTRODUCTION: Higher intake of fiber has been associated with lower risk of incident symptomatic osteoarthritis (OA). We examined whether levels of alkylresorcinol (AR), a marker of whole grain intake, were associated with OA in subjects in The Multicenter Osteoarthritis (MOST) Study. METHOD: Knee x-rays and knee pain were assessed at baseline and through 60-months. Stored baseline fasting plasma samples were analyzed for AR homologues (C17:0, C19:0, C21:0, C23:0, C25:0) and total AR levels (AR sum). Two nested case-control studies, one for incident radiographic OA and one for incident symptomatic OA were performed with participants re-assessed at 15, 30 and 60 months. Multivariable conditional logistic regression with baseline covariates including age, sex, BMI, physical activity, quadriceps strength, race, smoking, depressive symptoms, diabetes and knee injury tested the association of log transformed AR levels with OA outcomes. RESULTS: Seven hundred seventy-seven subjects were, on average, in their 60s, and most were women. For 60-month cumulative incidence, there was no significant association between quartiles of AR concentration and incident radiographic (e.g., for incident radiographic OA, highest vs lowest quartile of AR sum showed RR = 0.93 (95% CI 0.59, 1.47), and for symptomatic OA RR was 1.22 (95% CI 0.76, 1.94). In secondary analyses examining 30-month incidence, high AR levels were associated with a reduced risk of X-ray OA (RR = 0.31 (95% CI 0.15, 0.64). CONCLUSION: In primary analyses, AR levels were not associated with risk of OA, but secondary analyses left open the possibility that high AR levels may protect against OA.

BackgroundChemogenetics is a powerful tool to study the role of specific neuronal populations in physiology and diseases. Of particular interest, in mice, acute and specific activation of parafacial zone (PZ) GABAergic neurons expressing the Designer Receptors Activated by Designer Drugs (DREADD) hM3Dq (PZGABA-hM3Dq) enhances slow-wave-sleep (SWS), and this effect lasts for up to 6 h, allowing prolonged and detailed study of SWS. However, the most widely used DREADDs ligand, clozapine N-oxide (CNO), is metabolized into clozapine which has the potential of inducing non-specific effects. In addition, CNO is usually injected intraperitoneally (IP) in mice, limiting the number and frequency of repeated administration.New methodsThe present study is designed to validate the use of alternative DREADDs ligands-deschloroclozapine (DCZ) and compound 21 (C21)-and a new administration route, the voluntary oral administration.ResultsWe show that IP injections of DCZ and C21 dose-dependently enhance SWS in PZGABA-hM3Dq mice, similar to CNO. We also show that oral administration of CNO, DCZ and C21 induces the same sleep phenotype as compared with IP injection.Comparison with existing methods and conclusionTherefore, DCZ and C21 are powerful alternatives to the use of CNO. Moreover, the voluntary oral administration is suitable for repeated dosing of DREADDs ligands.

Modulators of the G protein-coupled A2A adenosine receptor (A2AAR) have been considered promising agents to treat Parkinson's disease, inflammation, cancer, and central nervous system disorders. Herein, we demonstrate that a thiophene modification at the C8 position in the common adenine scaffold converted an A2AAR agonist into an antagonist. We synthesized and characterized a novel A2AAR antagonist, 2 (LJ-4517), with Ki = 18.3 nM. X-ray crystallographic structures of 2 in complex with two thermostabilized A2AAR constructs were solved at 2.05 and 2.80 Å resolutions. In contrast to A2AAR agonists, which simultaneously interact with both Ser2777.42 and His2787.43, 2 only transiently contacts His2787.43, which can be direct or water-mediated. The n-hexynyl group of 2 extends into an A2AAR exosite. Structural analysis revealed that the introduced thiophene modification restricted receptor conformational rearrangements required for subsequent activation. This approach can expand the repertoire of adenosine receptor antagonists that can be designed based on available agonist scaffolds.

This research work is based on synthesis of eleven novel thiazole derivatives (3 a‐k) of thiophene carbaldehyde. All the synthesized compounds were successfully synthesized, characterized by 1H‐NMR and EI‐MS spectroscopic techniques and finally subjected for their in vitro α‐glucosidase inhibitory activity. Seven derivatives 3 i (IC50=10.21±1.84 μM), 3 b (IC50=11.14±0.99 μM), 3 f (IC50=13.21±2.76 μM), 3 h (IC50=14.21±0.31 μM), 3 k (IC50=15.21±1.02 μM), 3 e (IC50=16.21±1.32 μM), and 3 c (IC50=18.21±1.89 μM), in the series displayed excellent inhibitory potential better than the standard acarbose. However, two compounds 3 g (IC50=33.21±1.99 μM) and 3 d (IC50=42.31±2.12 μM) showed significant activity while two compounds 3 j and 3 a were found less active with IC50 values of 82.31±0.31 and 88.36±1.21 μM respectively. Additional research revealed that the compounds are not exhibiting any cytotoxic effects. The molecular docking study of these derivatives showed their good binding potential for α‐glucosidase active site with excellent interactions and docking scores. [ABSTRACT FROM AUTHOR]

Morphological control of all‐polymer blends is quintessential yet challenging in fabricating high‐performance organic solar cells. Recently, solid additives (SAs) have been approved to be capable in tuning the morphology of polymer: small‐molecule blends improving the performance and stability of devices. Herein, three perhalogenated thiophenes, which are 3,4‐dibromo‐2,5‐diiodothiophene (SA‐T1), 2,5‐dibromo‐3,4‐diiodothiophene (SA‐T2), and 2,3‐dibromo‐4,5‐diiodothiophene (SA‐T3), were adopted as SAs to optimize the performance of all‐polymer organic solar cells (APSCs). For the blend of PM6 and PY‐IT, benefitting from the intermolecular interactions between perhalogenated thiophenes and polymers, the molecular packing properties could be finely regulated after introducing these SAs. In situ UV/Vis measurement revealed that these SAs could assist morphological character evolution in the all‐polymer blend, leading to their optimal morphologies. Compared to the as‐cast device of PM6 : PY‐IT, all SA‐treated binary devices displayed enhanced power conversion efficiencies of 17.4–18.3 % with obviously elevated short‐circuit current densities and fill factors. To our knowledge, the PCE of 18.3 % for SA‐T1‐treated binary ranks the highest among all binary APSCs to date. Meanwhile, the universality of SA‐T1 in other all‐polymer blends is demonstrated with unanimously improved device performance. This work provide a new pathway in realizing high‐performance APSCs. [ABSTRACT FROM AUTHOR]

We conducted an investigation into the palladium‐catalyzed carbon‐sulfur cross‐coupling reaction involving a 2‐bromothiophene derivative and potassium thioacetate as a substitute for hydrogen sulfide. This investigation utilized kinetic and computational methods. We synthesized two palladium complexes supported by the bisphosphane ligands bis(diphenylphosphino)ferrocene (DPPF) and bis(diisopropylphosphino)ferrocene (DiPPF), as well as their tentative intermediates in the catalytic cycle. Reaction rates were measured and then compared to computational predictions. [ABSTRACT FROM AUTHOR]

Aggregation‐Induced Emission (AIE) luminogens have garnered significant interest due to their distinctive applications in different applications. Among the diverse molecular architectures, those based on triphenylamine and thiophene hold prominence. However, a comprehensive understanding of the deactivation mechanism both in solution and films remains lacking. In this study, we synthesized and characterized spectroscopically two AIE luminogens: 5‐(4‐(bis(4‐methoxyphenyl)amino)phenyl)thiophene‐2‐carbaldehyde (TTY) and 5′‐(4‐(bis(4‐methoxyphenyl)amino)phenyl)‐[2,2′‐bithiophene]‐5‐carbaldehyde (TTO). Photophysical and theoretical analyses were conducted in both solution and PMMA films to understand the deactivation mechanism of TTY and TTO. In diluted solutions, the emission behavior of TTY and TTO is influenced by the solvent, and the deactivation of the excited state can occur via locally excited (LE) or twisted intramolecular charge transfer (TICT) state. In PMMA films, rotational and translational movements are constrained, necessitating emission solely from the LE state. Nevertheless, in the PMMA film, excimers‐like structures form, resulting in the emergence of a longer wavelength band and a reduction in emission intensity. The zenith of emission intensity occurs when molecules are dispersed at higher concentrations within PMMA, effectively diminishing the likelihood of excimer‐like formations. Luminescent Solar Concentrators (LSC) were fabricated to validate these findings, and the optical efficiency was studied at varying concentrations of luminogen and PMMA. [ABSTRACT FROM AUTHOR]

Dearomative intramolecular Diels–Alder/sulfur extrusion reaction of thiophenes with alkynes successfully afforded fluoranthenes in moderate to excellent yields. The proximity of both reactive sites fixed at the peri‐position of naphthalene would play an important role in the progress of this reaction. Tri(o‐tolyl)phosphine effectively suppressed the side reactions as a sulfur scavenger. [ABSTRACT FROM AUTHOR]

Conjugated 1-bromo or 1-iodo-1,3-dienes bearing a sulfide substituent have been synthesized via 1,2-sulfur migration from propargylic thioethers upon activation with NIS or NBS. The reaction generally proceeds with high control over the regio- and diastereoselectivity. Highly substituted thiophenes and selenophenes are easily obtained from the generated dienes. [ABSTRACT FROM AUTHOR]

The mercury ion (Hg2+) is a typical high-toxicity substance that can cause severe damage to the environment and human bodies. For the detection of Hg2+, there are still significant challenges in the detection range and limit of detection (LOD). In this study, three viologen-based fluorescent probes are developed, CdCl4(Btybipy) (1), ZnBr4(Btybipy) (2), CdBr4(Btybipy) (3) (Btybipy = bis-1-thiophen-3-ylmethyl-[4,4′]-bipyridinyl) through conventional solvent methods for detecting pH and Hg2+. Reversible discoloration and fluorescence response behaviour in the pH range of 4–12.8 is demonstrated by viologen-based fluorescent probes, which exhibit "ON–OFF–ON" signal changes. Compared with complex 1, it is surprising to find that complexes 2–3 display both fluorescence enhancement and fluorescence quenching simultaneously with the addition of different concentrations of Hg2+ (0–20 and 25–400 μM). There is broad linearity in the range of 0–20 and 50–300 μM with LODs of 2.14 and 3.13 nM, respectively. This occurrence of dual-signal modes is attributed to the participation of Br− and the thiophene S atom as dual chromophores in the coordination reaction of Hg2+. Dual-signal mode output, high sensitivity, wide detection range, and low LODs are exhibited by these fluorescent probes. The unique coordination reaction between Br− and the thiophene S atom with Hg2+ can provide a potential strategy for the exploitation of promising sensing platforms for monitoring Hg2+. [ABSTRACT FROM AUTHOR]

The mercury ion (Hg2+) is a typical high-toxicity substance that can cause severe damage to the environment and human bodies. For the detection of Hg2+, there are still significant challenges in the detection range and limit of detection (LOD). In this study, three viologen-based fluorescent probes are developed, CdCl4(Btybipy) (1), ZnBr4(Btybipy) (2), CdBr4(Btybipy) (3) (Btybipy = bis-1-thiophen-3-ylmethyl-[4,4′]-bipyridinyl) through conventional solvent methods for detecting pH and Hg2+. Reversible discoloration and fluorescence response behaviour in the pH range of 4–12.8 is demonstrated by viologen-based fluorescent probes, which exhibit "ON–OFF–ON" signal changes. Compared with complex 1, it is surprising to find that complexes 2–3 display both fluorescence enhancement and fluorescence quenching simultaneously with the addition of different concentrations of Hg2+ (0–20 and 25–400 μM). There is broad linearity in the range of 0–20 and 50–300 μM with LODs of 2.14 and 3.13 nM, respectively. This occurrence of dual-signal modes is attributed to the participation of Br− and the thiophene S atom as dual chromophores in the coordination reaction of Hg2+. Dual-signal mode output, high sensitivity, wide detection range, and low LODs are exhibited by these fluorescent probes. The unique coordination reaction between Br− and the thiophene S atom with Hg2+ can provide a potential strategy for the exploitation of promising sensing platforms for monitoring Hg2+. [ABSTRACT FROM AUTHOR]

Three small molecules consisting of thieno‐fused naphthalimide units connected via aromatic linkers were synthesized to study the effect of fused thiophene rings on the properties of naphthalimide‐based molecules. A protocol for the synthesis of thienonaphthalimide‐based molecules without prior preparation and use of thienonaphthalimide precursors and organoelement compounds (organolithium, organotin, or organoboron compounds) was developed. The protocol is based on double thienannulation of bis‐alkyne substrates with sodium sulfide. The thin‐film morphology, photophysical and electrochemical properties of the obtained small molecules were studied. Single‐layer non‐doped organic light‐emitting diodes based on fluorene‐bridged thienonaphthalimide dimer showed yellow emission with luminance of 2200 cd/m2, and current efficiency of 0.35 cd/A. Combination of transient electroluminescence and photo‐CELIV methods allowed to estimate electron and hole mobility in the synthesized compounds; both are in order of 10−6 cm2V−1 s−1. [ABSTRACT FROM AUTHOR]

Elemental doping can improve the photocatalytic activity of bulk graphitic carbon nitride (g-C3N4) under visible-light. In this study, sulfur and oxygen co-doped g-C3N4 (x% S-g-C3N4) was fabricated through thermal polymerization of macromolecular precursor obtained from hydrothermal pretreatment. The prepared photocatalysts, including g-C3N4, hydrothermally treated g-C3N4 (g-C3N4-HT), and x% S-g-C3N4, were analyzed under various conditions. Their ability to reduce Cr(VI) through photocatalytic reduction was evaluated comprehensively, taking into account the influence of catalyst dose, presence of inorganic anions, initial concentration and initial pH of Cr(VI) solution. The results showed that x% S-g-C3N4 (3% S-g-C3N4) possesses superior photocatalytic reduction activity to g-C3N4 and g-C3N4-HT, largely due to the co-doping. This co-doping strategy enhances the light harvesting capacity by modifying the electronic band structure of g-C3N4, and accelerates the excitons transfer and separation by optimizing its photoelectric properties. Additionally, the three-dimensional structure formed during preparation process enhances the stability and reusability of g-C3N4. [ABSTRACT FROM AUTHOR]