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• Interplay of ESIPT, ICT and AIEE phenomena on single platform was observed. • Mixed aqueous medium was used for the sensing of F − and P2O74− ions. • The lowest detection limits for F − and P2O74− ions were calculated to be 41 nM and 23 nM. • Aggregation-disaggregation process of probe 1 and probe 1 + F −/P2O74− ions was investigated. In this study, the Schiff base (probe 1) was designed and synthesized, using the moieties of benzothiazole and salicylaldehyde as signaling units. UV–visible and emission spectroscopy has been identified to study interaction of probe 1 with various anions. Absorption bands at 290 and 360 nm for probe 1 (20 µM; CH 3 CN) were observed and two fluorescence peaks at 415 and 540 nm obtained with excitation at 360 nm in CH 3 CN. Probe 1 (20 µM) developed a yellow color in presence of F − and P 2 O 7 4− ions in their tetrabutylammonium salts. For both the ions, the corresponding absorption measurements revealed bathochromic shift of 85 nm. When complexed with anions, emission changes show that probe 1 acts as a " turn-on " sensor. Probe 1 shows detection limit (LOD) of 35.4 and 15.4 nM for F − and P 2 O 7 4−, respectively. 1H NMR titration analyses revealed more about their mode of binding with probe 1. [Display omitted] [ABSTRACT FROM AUTHOR]

Herein, a novel approach of bimetallic Pd(OAc) 2 /CuI-catalyzed alkynylation of 3-chloroazetidin-2-one (β -lactam derivative) with terminal alkyne via tandem C–C bond activation/Sonogashira-type cross-coupling reaction is developed. This synthesis encompasses a sequence of inert Csp3–X/Csp–H functionalization processes involving the coupling of the C(sp3) adjacent to the 3-chloroazetidin-2-one with the C(sp) of a terminal alkyne. The final analogs are synthesized by means of the indole-benzothiazole Schiff base formation, cyclization of the Schiff base to generate the β -lactam derivative, and Sonogashira coupling to afford a C(sp3)–C(sp) bond. In addition, indole, benzothiazole, and azetidine-2-one have been identified to be highly efficient heterocyclic scaffolds with a range of pharmacological benefits. It encouraged us to discover a hybrid compound that had each of these moieties. Cooperation between two different metals is essential for the successful implementation of this approach. Specifically, the interaction between the Pd and Cu centers in the transmetallation step is depicted through a plausible mechanistic route. The reaction conditions have been optimized by varying catalyst and ligand loadings, bases, temperatures, and solvents. The reaction is highly efficient, yielding alkynylated products in up to 84 % yield with a wide range of substrates and functional group tolerance, thereby serving as a functional model for the Sonogashira coupling reaction. [Display omitted] • The development of indole-benzothiazole fused β -lactam derivatives. • Functionalization of C(Sp3)–C(sp) bond formation. • Bimetallic Pd(OAc) 2 /CuI-catalyzed alkylation of β -lactam derivatives. • The mild reaction conditions, gram scale applicability, good functional group tolerance, and broad substrate scope. [ABSTRACT FROM AUTHOR]

Tire wear particles (TWPs) pollution is widely present in soil, especially in areas severely affected by traffic. Herein, regular variation of fungal biomass with TWPs was found in soils with different distances from the highway. In addition, the concentrations of benzothiazole compounds (BTHs), an important class of rubber vulcanization accelerators, were found to be positively correlated to the TWPs abundance. Sixty days' soil microcosm experiments were conducted to further confirm the adverse effect of TWPs and BTHs on soil fungi. TWPs spiking at 1000 mg/kg, a detectable level in the roadside, resulted in significant reduction of biomass and significant changes of soil fungal community structure, with Eurotium and Polyporales being the sensitive species. BTH+ 2-hydroxybenzothiazole (OHBT) (the dominant BTHs in soil) spiking at 200 ng/kg, the dose equivalent to 1000 mg/kg TWPs pollution, also caused a similar magnitude of soil fungal biomass reduction. Adonis demonstrated no significant difference of fungal community structure between TWPs and BTH+OHBT spiked soil, suggesting the adverse effect of TWPs on soil fungi may be explained by the act of BTHs. Pure culture using the representative soil fungi Eurotium and Polyporales also confirmed that BTHs were the main contributors to the adverse effect of TWPs on soil fungi. [Display omitted] • Tire wear particles (TWPs) and benzothiazoles (BTHs) additives were negatively correlated to fungal biomass in highway soils. • Simulation experiments confirmed the adverse effect of TWPs and BTHs on soil fungi. • The adverse effects of TWPs on fungi were explained by BTHs. • Inhibition of dominant BTHs on the representative soil fungi was also demonstrated by pure culture. [ABSTRACT FROM AUTHOR]

Interest in G-quadruplexes has spurred the creation of fluorescent probes for selective detection, but there are challenges in sensitively and selectively detecting specific G4 topology. Our study introduces a novel engineering strategy for the synthesis of G4 fluorescent probes through a "step-by-step" methodology that extends π-rich conjugated structure and modulates the donor group of ThT, enabling precise control over emission wavelengths and G4 binding affinities. Especially, ThT-π-DF a derivative uniquely augmented with a π-rich alternating bridge (π) and a difluoro phenol side group (DF), stands out for its red fluorescence emission and high selectivity towards parallel G4 structures. This selectivity is largely due to its modified motif which reduces the positive charge effect, making it particularly effective in highlighting parallel G4 topologies and differentiating them from non-parallel configurations, while maintaining a high binding affinity. This specificity establishes ThT-π-DF as a foundational element for a fluorescent detection platform, capable of analyzing and monitoring the dynamic transitions of G4 topologies and structural alterations in real time. The deployment of ThT-π-DF as a fluorescent probe offers a promising toolkit for the elucidation of G4 formation and transformation processes, advancing the rational design of targeted G4 fluorescent probes. This work not only advances our understanding of G4 biology but also opens up new possibilities for the exploration of G4 structures in biological systems, highlighting the potential of these probes in the study of nucleic acid dynamics and their implications in various biological contexts. [Display omitted] • Step-by-step synthesis of new benzothiazole fluorescent probes. • Specific recognition of parallel G4s. • Monitoring PW17 topology switches and L2T4-based G4 bases alterations. • Simultaneously achieving the Pu22 and multiple cation ions detection. [ABSTRACT FROM AUTHOR]

New 2-pyrrolamidobenzothiazole-based inhibitors of mycobacterial DNA gyrase were discovered. Among these, compounds 49 and 51 , show excellent antibacterial activity against Mycobacterium tuberculosis and Mycobacterium abscessus with a notable preference for mycobacteria. Both compounds can penetrate infected macrophages and reduce intracellular M. tuberculosis load. Compound 51 is a potent inhibitor of DNA gyrase (M. tuberculosis DNA gyrase IC 50 = 4.1 nM, Escherichia coli DNA gyrase IC 50 of <10 nM), selective for bacterial topoisomerases. It displays low MIC 90 values (M. tuberculosis : 0.63 μM; M. abscessus : 2.5 μM), showing specificity for mycobacteria, and no apparent toxicity. Compound 49 not only displays potent antimycobacterial activity (MIC 90 values of 2.5 μM for M. tuberculosis and 0.63 μM for M. abscessus) and selectivity for mycobacteria but also exhibits favorable solubility (kinetic solubility = 55 μM) and plasma protein binding (with a fraction unbound of 2.9 % for human and 4.7 % for mouse). These findings underscore the potential of fine-tuning molecular properties to develop DNA gyrase B inhibitors that specifically target the mycobacterial chemical space, mitigating the risk of resistance development in non-target pathogens and minimizing harm to the microbiome. [Display omitted] • New low nanomolar inhibitors of mycobacterial DNA Gyrase. • Excellent antibacterial activity against Mycobacterium tuberculosis and Mycobacterium abscessus. • Selectivity for mycobacteria. • Ability to penetrate infected macrophages and reduce intracellular bacterial load. • No in vitro and no in vivo (zebrafish embryos) toxicity. [ABSTRACT FROM AUTHOR]

The dyshomeostasis of metal ions in the brain leads to the accumulation of excess metals in extracellular and inter-neuronal locations and the Amyloid β peptide (Aβ) binds these transition metals, which ultimately cause the Aβ aggregation and severe oxidative stress in the brain. The aggregation of Aβ and oxidative stress are important factors to trigger Alzheimer's disease (AD). Metal chelation therapy is a promising approach to removing metals from Aβ-M species and relieve the oxidative stress. Therefore, 4 tetrahydrosalens containing benzothiazole moiety were designed and synthesized. Their biological activities for Alzheimer's disease therapy in vitro were determined by Turbidity assay, BCA protein assay, MTT assay and fluorescent probe of DCFH-DA. The results were comparing with that of non-specific chelator (cliquinol, CQ) and non-benzothiazole functionalized tetrahydrosalens, the results demonstrated that benzothiazole functionalized chelators had more efficient bio-activities in preventing Cu2+-induced Aβ aggregation, attenuating cytotoxicity mediated by Aβ-Cu2+ species and decrease the level of reactive oxygen species (ROS) in Cu2+-Aβ treated PC12 cells than that of cliquinol and non-benzothiazole functionalized analogues. 4 benzothiazole functionalized Tetrahedrosalens were synthesized. Their bioactivities for Alzheimer's disease therapy in vitro were investigated. The results show that these chelators can effectively inhibit Cu2+-induced Aβ aggregation, decrease the level of reactive oxygen species (ROS) in Cu2+-Aβ treated PC12 cells and attenuate neurotoxicity mediated by Aβ-Cu2+ species. [Display omitted] • Development of the synthesis of benzothiozole functionalized tetrahydroSalen. • The bifunctional tetrahydrosalens effectively inhibit the Cu2+-induced Aβ aggregation. • The bifunctional chelators effectively remove the ROS in Aβ-Cu2+ treated PC12 cells. • The bifunctional chelators effectively increase the viability of Aβ-Cu2+ treated PC12 cells. [ABSTRACT FROM AUTHOR]

[Display omitted] • fac -[M(CO) 3 L2L1] (M = Re, 99mTc) mixed ligand complexes with bioactive ligands. • Curcumin as bidentate L2 ligand, 2-phenylbenzothiazole isonitrile as monodentate L1. • Two important pharmacophores combine for the first time in one novel structure. • Anticancer synergy anticipated due to presence of two anticancer pharmacophores. The synthesis and characterization of neutral [2 + 1] tricarbonyl mixed-ligand ReI- and 99mTcI-complexes of the general formula fac -[Re/99mTc(CO) 3 (OO)(isc)] is reported herein. The complexes bear acetylacetone (acac) or curcumin (curc) as monoanionic bidentate (OO) ligands and isocyanide (isc) derivatives of the anticancer agent 2-(4′-aminophenyl)benzothiazole (1) and its 3́-methyl-substituted counterpart (2) as monodentate ligands. The Re complexes were synthesized through the addition of 1 and 2 , efficiently prepared in four steps, to the aqua intermediate fac -[Re/99mTc(CO) 3 (OO)(H 2 O)], formed by the reaction of the [Et 4 N] 2 [Re(CO) 3 Br 3 ] precursor with the OO bidentate ligands. Ligands 1 and 2 and the corresponding complexes 3-Re and 4-Re (OO acetylacetone), as well as 5-Re and 6-Re (OO curcumin), were fully characterized by elemental analysis, ESI-MS analysis, IR, and NMR. X-ray crystallographic analysis of 3-Re showed that it crystallizes in the monoclinic centrosymmetric space group C 2/ c with two crystallographically independent molecules in the asymmetric unit that form a dimer through intermolecular π–π stacking interactions between the aromatic rings of the ligand. Synthesis was subsequently transferred at 99mTc-tracer level using the fac -[99mTc(CO) 3 (H 2 O) 3 ]+ precursor and the corresponding 3-99mTc–6-99mTc complexes were prepared with a radiochemical yield of >92% and characterized by comparative HPLC analysis using the well-characterized Re complexes as reference. All 99mTc-complexes show good stability against the histidine and cysteine challenge, while their lipophilicity logD 7.4 values of 2.55–2.78 fulfil the requisite for high bioavailability. The complexes synthesized bear important pharmacophores, which in complexes 5 and 6 co-exist in the same molecule, representing unique structures currently evaluated for anticancer activity. [ABSTRACT FROM AUTHOR]

[Display omitted] • A simple and fast-responsive fluorescent chemosensor BTP was developed for S2-. • BTP featured high sensitivity and specificity for S2- via fluorescent color change. • BTP was applied to real water, test strips, and food systems to detect S2-. • BTP is first applied to trace food spoilage among benzothiazole-based S2- probes. • Detecting mechanism of S2- by BTP was demonstrated to be deprotonation of phenol. The detection of S2− is required because of its harmful effects on human health. This led us to strategically design a new benzothiazole-based fluorescent chemosensor BTP (2-(benzo[d]thiazol-2-yl)-4,6-dichlorophenol). This sensor undergoes a fluorescence color change from orange to green in the presence of S2− via the deprotonation of phenol in near-perfect water. The detection limit for S2− reached 0.78 μM and BTP could selectively probe S2− over other competing analytes. The process whereby BTP responds to S2− was suggested to be improved intramolecular charge transfer (ICT), as was demonstrated by extensive DFT calculations. Particularly, BTP was successfully applied to detect S2− in zebrafish, real water, and beverage samples. Further, test strips coated with BTP were used to monitor the S2− released in raw meat. BTP is the first benzothiazole-based chemosensor developed to detect the S2− released from various types of food samples. The proposed method offers a novel tool for measuring S2− in biological and environmental systems, as well as the food quality under on-site conditions. [ABSTRACT FROM AUTHOR]

• Cobalt/niacin MOF presented as nano-catalyst. • An efficient catalytic synthesis of some new benzothiazoles and benzimidazoles. • Validation as acetylcholine esterase inhibitors (AChE inhibitors). • In vitro anti-Alzheimer's activity of the prepared compounds. Metal-organic frameworks (MOFs) presented as an efficient, economic, sustainable and green stable catalyst. Co/Niacin-MOF in nano shape was prepared by hydrothermal method and illustrated by IR, SEM and XRD. The prepared Co/Niacin-MOF used in the synthesis of some new benzothiazoles and benzimidazoles (3a - 3f, 4a - 4f). The prepared benzo heterocyclic compounds were checked as acetylcholine esterase inhibitors (AChE inhibitors) and the data obtained from in vitro and molecular docking explained that there two promised values for compounds 4-(benzo[ d ]thiazol-2-yl)phenyl benzoate (3e) and 4-(1 H -benzo[ d ]imidazol-2-yl)phenyl 4-methylbenzenesulfonate (4f) compared with Donepezil as a reference Alzheimer drug. [Display omitted] [ABSTRACT FROM AUTHOR]

• A novel fluorescent probe DYH was fabricated and characterized. • In CH 3 CN/HEPES (7/3, v/v, HEPES 100 mM pH = 7.3), the probe DYH can continuously detect Cu2+ and S2−. • DYH has a wide linear range and low detection limit for Cu2+ (0.56 μM) and S2− (0.67 μM). • DYH was found useful for imaging of Cu2+ and S2− in living cells. In this paper, a fluorescent probe methyl(E)-2-(3-(benzo[ d ]thiazol-2-yl)-2‑hydroxy -5-methylbenzylidene) hydrazine-1-carboxylate (DYH) based on benzothiazole was designed and synthesized. The characterization involved NMR, HRMS, and crystal structure analysis. In case of the existence of other competing cations, the probe DYH showed high-affinity for Cu2+, and the resultant DYH Cu2+ showed exceptional capacity to recognize S2− in CH 3 CN/HEPES (7/3, v/v, HEPES 0.1 M, pH = 7.3). The detection limits of DYH for Cu2+ and DYH Cu2+ for S2− were 0.56 μM and 0.67 μM, respectively. It was determined that the binding stoichiometry between the DYH and Cu2+, as well as DYH Cu2+ and S2−, was 1:1 according to the job's curve. The pH of the probe and complex was stable between 4 and 10. Colorimetric experiments of the probe DYH were conducted using test paper as a carrier. Additionally, DYH was used for fluorescence imaging of Cu2+ and S2− in Hela cells with poor cellular toxicity and good cell permeability. [Display omitted] [ABSTRACT FROM AUTHOR]

• A series of new pyrazole-linked benzothiazole hybrids was synthesized and evaluated for their anti-TB activity. • Compounds 10j, 10k, 10l, 11c and 12 , respectively, displayed promising anti-TB activity in comparison to the reference compound isoniazid. • Their inhibition of the mycobacterium tuberculosis enoyl-acyl carrier protein reductase enzyme (InhA) was tested. • Compounds 10i, 10j and 12 , respectively, showed strong inhibition of InhA in comparison to the reference compound, triclosan, with IC 50 values of 6.4–7.9 μM. • A molecular docking study was carried out to investigate the predicted binding interactions of the synthesized inhA inhibitors in the binding pocket of the inhA enzyme. Tuberculosis (TB) is a global pandemic killing millions of people every year. Yet, resistant strains make curing TB quite challenging. Herein, a series of new pyrazole-linked benzothiazole hybrids was synthesized and evaluated for their anti-TB activity against three Mycobacterium tuberculosis strains (drug sensitive (DS), multidrug-resistant (MDR) and extensively drug-resistant (XDR)). The substituted 2,5-dimethylphenoxy -, 2,6-dichlorophenoxy -, 2,6-dimethoxyphenoxy -, 4-methylpiperazin-1-yl-,and pyrrolidin-1-ylpyrazole-benzothiazole conjugates (compounds 10j, 10k,10l, 11c and 12 respectively) displayed promising anti-TB activity in comparison to the reference compound isoniazid against the DS strain with (MIC: 1.74–3.68 μM/mL)To further study the mode of action of these anti-TB compounds, their inhibition of the Mycobacterium tuberculosis enoyl-acyl carrier protein reductase enzyme (InhA) was tested. The 3-acetamidophenoxy-, 2,6-dichlorophenoxy -,andpyrrolidin-1-ylpyrazole-benzothiazole conjugates(Compounds 10i, 10j and 12 respectively) showed strong inhibition of InhA in comparison to the reference compound, triclosan, with IC 50 values of 6.4–7.9 μM. Moreover, a molecular docking study was carried out to investigate the predicted binding interactions of the synthesized inhA inhibitors in the binding pocket of the inhA enzyme. The calculated docking energies of the developed novel pyrazole-linked benzothiazole hybrids were consistent with their tested anti-tubercular activity. [ABSTRACT FROM AUTHOR]

The present study reports the new thiazole (A-L) derivatives based on benzothiazole fused triazole which were synthesized and assessed against thymidine phosphorylase and α-glucosidase enzymes. Several compounds with the same basic structure but different substituents were found to have high activity against the targeted enzymes, while others with the same basic skeleton but different substituents were found to have medium to low activity among the members of tested series. These analogs showed a varied range of inhibition in both case thymidine phosphorylase and alpha glucosidase, A (IC 50 = 7.20 ± 0.30 µ M and IC 50 = 1.30 ± 0.70 µ M), B (IC 50 = 8.80 ± 0.10 µ M and IC 50 = 2.10 ± 0.30 µ M), C (IC 50 = 8.90 ± 0.40 µ M and IC 50 = 3.20 ± 0.20 µ M) and thiazole containing analogs such as G (IC 50 = 11.10 ± 0.20 µ M and IC 50 = 7.80 ± 0.20 µ M) and H (IC 50 = 12.30 ± 0.30 µ M and IC 50 = 6.30 ± 0.20 µ M). When compared with standard drugs 7-Deazaxanthine, 7DX (IC 50 = 10.60 ± 0.50 µM) and acarbose (IC 50 = 4.30 ± 0.30 µM) respectively. These analogs were also subjected to molecular docking studies which indicated the binding interaction of molecules with active sites of the enzyme and strengthen the drug profile of these compounds. ADMET studies also predict the drug-like properties of these compounds, with no violations of drug likeness rules. [Display omitted] • We have synthesized novel benzothiazole-triazole based thiazole derivatives. • Isolated compounds were evaluated for in vitro against thymidine phosphorylase and α-glucosidase. • A number of the compounds exhibited excellent activity, some better than the reference standards. • Molecular docking and ADMET study determined binding interactions of potent compounds and their toxicity respectively. • Exploration of better potentials via a series of studies was presented. [ABSTRACT FROM AUTHOR]

• Four targeting fluorescent 5-substituted-benzothiazole conjugates (3a, 3b, 6a, and 6b) were synthesized. • The photophysical characteristics of the synthesized conjugates, as well as measurements of absorbance and fluorescence maxima in diverse organic solvents. • The conjugates' cytotoxicity was evaluated across different anticancer cell lines. • The inhibitory activity of these conjugates against VEGFR-2 was assessed using an antiphosphotyrosine antibody. • The synthesized 5-substituted-benzothiazole conjugates 3a, 3b, and 6a were stimulated using molecular docking. • The ADME study was performed and showed that conjugates 3b and 6b exhibited enhanced lipophilicity and reduced solubility. Four targeting fluorescent 2-(N , N -dimethyl/diphenyl-aminophenyl)-5-substituted-benzothiazole conjugates 3a , 3b , 6a and 6b were synthesized. Insight into the photophysical characteristics of the synthesized conjugates, as well as measurements of absorbance and fluorescence maxima in diverse organic solvents, showed conjugate 3b ranged from 302 to 324 nm, whereas the fluorescence maxima ranged from 312 nm (CH 2 Cl 2) to 465 nm. The conjugates' cytotoxicity was evaluated across anticancer cell lines, and the inhibitory action of these conjugates against VEGFR-2 was assessed using an antiphosphotyrosine antibody, with 3b and 6b conjugates showing potent cytotoxic activity against MCF-7 cells with IC 50 values of 7.06 ± 0.29 and 8.82 ± 0.37 μM, respectively. Meanwhile, conjugate 6b had the greatest potency of the conjugates for VEGFR-2 inhibition, with an IC 50 of 0.23 ± 0.20 μM. Though the binding's interactions were stimulated using molecular docking, A higher binding score and a variety of interaction types for conjugate 3b , temporarily, indicated a stronger interaction. Moreover, the ADME study was performed and showed that conjugates 3b and 6b exhibited enhanced lipophilicity and reduced solubility, which may influence their pharmacokinetic behavior. [ABSTRACT FROM AUTHOR]

• Synthesis novel thiazole derivatives bearing 3-methylthiophene carbaldehyde. • Structural elucidation through modern spectroscopic techniques such as, EI-MS, and 1H NMR. • Evaluation of the synthesized compounds for their in vitro α-glucosidase inhibitory activity. • Molecular docking and TD-DFT studies. Thiazole derivatives bearing thiophene carbaldehyde have been successfully prepared by refluxing 3-methylthiophene carbaldehyde with thiosemicarbazide in absolute ethanol followed by treating the obtained product with different phenacyl bromide to get thiazole products in better yields. These derivatives were confirmed using 1H-, 13C NMR, and EI-MS spectrometry techniques and finally subjected for their α-glucosidase inhibitory potential. Two compounds in the series including 2 g (IC 50 = 9.00 ± 0.57 µM) and 2b (IC 50 = 13.50 ± 0.20 µM) were found as the most potent α-glucosidase inhibitors better than the standard acarbose. Furthermore, the remaining five compounds attributed significantly to less activity. The studied molecules were calculated on the 6–31++g(d,p) basis set at B3LYP, HF, M062X levels with the help of the Gaussian package program, and their chemical activities were compared. Following that, the molecules' interactions with different α-glucosidase proteins (PDB IDs: 1R47 and 1UAS) were investigated, and their activities were contrasted. The binding free energy of the molecule with the best docking score is computed using MM/GBSA techniques. The comparative molecular dynamics simulations of the 2g-1UAS and 2g-1R47 complexes highlight the intricate balance of forces that govern biomolecular interactions. The findings suggest that while the 2g-1UAS complex forms more stable interactions, as indicated by lower RMSD values, the 2g-1R47 complex maintains its structural integrity through strong hydrogen bonds. Overall, the equilibrium conformations achieved by both complexes suggest they are well-suited for their roles in physiological environments. [ABSTRACT FROM AUTHOR]

• Synthesis of N CSBC using molecular hybridization with benzothiazol-2-ylacetonitrile. • N CSBC exhibits hole mobility of 1.15 × 10³ cm²/Vs and an optical energy gap of 2.47 eV. • N CSBC enhances perovskite solar cell efficiency to 16.21 % as a passivation layer. • Structural, thermal, and optical properties of N CSBC confirmed by spectroscopic techniques. • DFT optimization supports N CSBC's effectiveness in high-efficiency PSCs. This study presents the synthesis of N -(4-(N -carbamimidoylsulfamoyl)phenyl)benzo[d]thiazole-2-carbohydrazonoyl cyanide (N CSBC), a novel passivator material for perovskite solar cells (PSCs). The structure was confirmed by FTIR, ¹H NMR, and ¹³C NMR, while Hall-effect measurements revealed a hole mobility of 1.15 × 10³ cm²/Vs. UV–Vis analysis showed absorption peaks at 295 and 422 nm, corresponding to transitions related to azo groups and aromatic rings in N CSBC. The compound exhibited an optical energy gap of 2.47 eV, consistent with DFT-based molecular modeling. Thermal stability and electrochemical properties further validated its suitability for photovoltaic applications. Incorporating N CSBC into PSCs with an FTO/c-TiO 2 /MAPbI 3 / N CSBC/spiroMeOTAD/Ag device configuration resulted in a power conversion efficiency (PCE) of 16.21 %, compared to 14.47 % for the control. This work highlights N CSBC's potential for cost-effective, high-efficiency defect passivation in PSCs. [Display omitted] [ABSTRACT FROM AUTHOR]

[Display omitted] • A novel alkaline pH-responsive probe based on an asymmetric aza-BODIPY was synthesized in a one-pot Schiff base formation reaction. • The probe exhibits a turn-off fluorescence response upon exposure to alkaline pH (9.6–12.4) with a p K a of 11.65. • A bathochromic absorption band emerges due to its extended π-conjugation system, accompanied by a visible colorimetric change from yellow to red. • The recognition mechanism of the probe towards alkaline pH relies on the deprotonation of the imine group on the aza-BODIPY core, leading to an enhanced degree of π-electron conjugation. The probe's recognition of alkaline pH relies on the deprotonation of the imine group on the aza-BODIPY core, which increases π-electron conjugation. • The probe demonstrates high reliability for practical applications due to its photostability and reversibility. A novel alkaline pH-responsive probe based on an asymmetric aza-BODIPY was synthesized in a one-pot Schiff base formation reaction. This pH-sensitive probe comprises an asymmetric aza-BODIPY as the luminescent core, with a benzothiazole moiety connected via an imine bond serving as the recognition site. The probe exhibits a turn-off fluorescence response upon exposure to alkaline pH (9.6–12.4), while a bathochromic band in the absorption emerges due to its extended π-conjugation system, accompanied by a visible colorimetric change from yellow to orange to red. Furthermore, the probe responds linearly in the highly alkaline region, with a p K a of 11.65. The recognition mechanism of the probe towards alkaline pH relies on the deprotonation of the imine group on the aza-BODIPY core, leading to an enhanced degree of π-electron conjugation. The quenched fluorescence intensity is attributed to the increased non-radiative decay of the deprotonated form of the probe. The probe demonstrates high reliability for practical applications due to its photostability and reversibility. This study provides new insights into the design of probes for detecting high alkaline pH levels. [ABSTRACT FROM AUTHOR]

• Twelve novel benzothiazole-piperazine derivatives were design and synthesized. • The cytotoxic effectiveness of the compounds was tested against A549 non-small lung carcinoma, C6 glioma, and NIH/3T3 human fibroblast cells. • The mechanism of action of the active compounds were investigated via in vitro and in silico methods. • Compounds 2b, 2e , 2 g and 2 h showed significant cytotoxicity on cancer cells. • Compound 2e showed a favorable anticancer profile due to inducing caspase-3 and inhibiting MMP-9 enzymes. In this work, novel benzothiazole-piperazine acetamide (2a-2l) analogs were synthesized and evaluated their anticancer activity. The 1HNMR , 13CNMR and LC-MS/MS spectral data and elemental analyses were used to clarify the structure of the final molecules. The title compounds were procured by reacting 2‑chloro- N -(6-substituted benzothiazole-2-yl) acetamide with some piperazine derivatives. Cytotoxicity and apoptosis parameters including Annexin V binding capacities, effect on cell cycle, caspase-3 activation and mitochondrial membrane depolarization effect were evaluated to determine anticancer profile of the final molecules on A549 (human lung adenocarcinoma), C6 (glioma cell line) and NIH/3T3 (mouse embryoblast cell line). Mostly, the final molecules showed significant cytotoxic profile with prominent selectivity. 2c (IC 50 : 7.23±1.17, SI: 6.93), 2d (IC 50 : 17.50±4.95; SI: 11.59), and 2 h (IC 50 : 10.83±0.76; SI: 29.23) showed significant and selective cytotoxic activity. Compounds 2b, 2c and 2e provoked apoptosis of A549 cells with potential higher than cisplatin as determined by flow cytometry. The cell cycle analysis of 2 b, 2e , 2 g, and 2 h suggested that the A549 cells were affected during G0/G1 phase. Caspase-3 activation was observed on cells by compounds 2a, 2e, 2i and 2l at most. The highest mitochondrial membrane depolarization ratios were seen treated by compounds 2e , 2 h, and 2j. None of the analogs displayed any obvious inhibition activity on MMP-9. The physicochemical properties were predicted for all compounds and also molecular docking and dynamics simulation studies were realized for compound 2e, namely N -(6-methoxybenzothiazol-2-yl)-2-(4-(p-tolyl) piperazin-1-yl) acetamide. The results indicated that merging benzothiazole and piperazine derivatives via acetamide bridge is promising in cancer research because these moieties can interact with the loop and ß-sheet regions of MMP-9. So, 2e was considered as a potential therapeutic agent against lung carcinoma. [Display omitted] [ABSTRACT FROM AUTHOR]

• Synthesis of benzothiazolyl pyrrolidine 2 and their corresponding N -Mannich bases. • Synthesis of phenolic Mannich base 14 and N -Mannich bases. • Studying the antimicrobial efficacy of the newly synthesized compounds with promising results which confirmed by docking. Compound 4-(benzo[d]thiazol-2-yl)-5-phenylpyrrolidine-2,3-dione (2) was taken as a precursor to synthesize some new N -Mannich bases 4, 7 , and 10 via the reaction of their corresponding Schiff bases 3, 6 , and 9 with formaldehyde and piperidine. Similarly, N -Mannich bases 5, 8 , and 11 were obtained by the reaction of their corresponding Schiff bases 3, 6 , and 9 with benzaldehyde and 3-aminopyridine, or 5-aminotetrazole, or 2-aminothiazole, respectively. Moreover, N -Mannich bases 15a-l were synthesized by direct reaction of compound 2 with formaldehyde and some secondary amines. In addition, N -Mannich base 14 was obtained from its corresponding phenolic Schiff base 13 which was obtained by the reaction of benzothiazole derivative 12 with p -hydroxyaniline. Also, phenolic N -Mannich base-bearing azonine dione moiety 18 was achieved by the reaction of 15f with p -hydroxyaniline followed by the reaction of formaldehyde and piperidine to give N -Mannich base 17 which was then subjected to periodate oxidation. The targeted compounds were synthesized and characterized by spectroscopic analysis and screened for antimicrobial evaluation as antibacterial and antifungal agents. The biological evaluation showed that N -Mannich bases with tetrazole, thiazole, and phenothiazine moieties are active against B. subtilis, S. aureus (Gram-positive bacteria), E. coli, P. aeruginosa (Gram-negative bacteria), and C. albicans (Fungi strain). Meanwhile, the molecular docking study was carried out on the highest antibacterial derivatives (7, 8, 11 , and 15g) with a targeted PDB: 2eg7 protein. Our docking results disclose dissimilar binding types of interactions for each derivative, suggesting varying degrees of affinity and specificity towards the target protein. [Display omitted] [ABSTRACT FROM AUTHOR]

• Seven benzothiazole-pyrazole conjugates were synthesized and characterized by IR, NMR, and MASS analyses. • The DFT studies of the synthesized aminopyrazolyl benzothiazole analogues presented angular conformations. • The phenylpyrazole benzothiazole conjugates 8 – 10 exhibited lower HOMO-LUMO gap (ΔE H-L) than others (3.61–4.39 eV). • Both conjugates 8 and 10 demonstrated significant antibacterial activity, especially against S. aureus. • Conjugate 10 displayed the highest binding affinity, indicating a very strong interaction with the PDB: 4DUH. The targeted benzothiazole-pyrazole conjugates 4, 6, 8, 9 , and 10 were synthesized through introducing the pyrazole moiety to the precursor 2-acetamido-6-(2-cyanoacetyl) benzothiazole (3). The structure of isolated conjugates was elucidated using FT-IR, 1H/13C NMR, and mass spectral techniques, as well as elemental analyses (C, H, and N). The DFT/B3LYP methodology revealed that the isolated conjugates had an angular configuration. Meanwhile, the antimicrobial efficiency of the benzothiazole-pyrazole conjugates have been assessed against several bacterial and fungal strains. Conjugate 8 exhibited remarkable and broad-spectrum activity toward S. aureus and A. fumigatus (MIC < 37 and < 226 µg/mL, respectively). Conjugate 10 was very effective against K. pneumoniae and A. fumigatus (MIC < 42 and < 219 µg/mL), implying its potential as a versatile antimicrobial agent. Furthermore, the new conjugates have the ability to inhibit DNA gyrase; conjugates 4b, 8, 9 , and 10 exhibited comparable inhibitory effects, while conjugates 6a and 6b displayed slightly less potent inhibitory action. Moreover, molecular docking simulations have been carried out to investigate the interactions of novel benzothiazole-pyrazole conjugates with PDB: 4DUH protein. Also, SwissADME analysis was utilized to assess the pharmacokinetic characteristics of the synthesized conjugates. This research offers a comprehensive understanding of the drug-like characteristics and pharmacokinetic features of the benzothiazole-pyrazole conjugates. [Display omitted] [ABSTRACT FROM AUTHOR]

• Synthesis and spectroscopic techniques of hybrid benzothiazole derived fused triazole/thiazole derivatives. • Isolated compounds were evaluated for in vitro anti-Alzheimer activity. • A number of the compounds exhibited excellent activity, some better than the reference standards. • A molecular docking and ADMET studies were used to determine the binding interactions of the potent compounds with the enzymes active sites and their toxicity respectively. Alzheimer's disease, as per reports, 50 million people worldwide suffer from dementia and an increase of 152 million is expected by 2050. This study reports a novel synthetic approach to designing and synthesizing a series of benzothiazole-based fused 1,3,4-triazole/1,3,4-thiadiazole hybrid derivatives (1–19), which show promising potential as therapeutic agents for the treatment of Alzheimer's disease. These derivatives were structurally confirmed through spectroscopic analytical techniques, including 13C NMR, 1H NMR and HREI-MS. All the analogs were subjected to biological inhibitory evaluation against AChE and BuChE, in which analog 2 ((IC 50 = 3.30 ± 0.20 and 3.70 ± 0.40 µM), 7 (2.70 ± 0.10 and 3.240 ± 0.10 µM), 12 (4.80 ± 0.30 and 5.40 ± 0.20 µM), 15 (2.10 ± 0.20 and 3.10 ± 0.50 µM) and 19 (4.40 ± 0.20 and 5.10 ± 0.10 µM)) exhibited spellbinding potency in contrast to standard Donepezil (IC 50 = 4.60 ± 0.10 µM for AChE and 5.20 ± 0.71 µM for BuChE). The surpassing potential of the analogs is elaborated in SAR analysis, based on number, position and nature of the substituents. In this regard, analog 15 having two flouro groups, was found as the top ranking candidate, inhibiting the enzymes through hydrogen bonding. Additionally, molecular docking study was also performed to investigate the binding modes and interactions between the ligands and the target protein. Furthermore, the drug-likeness of the compounds was evaluated through in silico ADME analysis, which assessed their pharmacokinetic properties and potential to become a successful drug candidate. [ABSTRACT FROM AUTHOR]

Cancer is a major societal, public health, and economic burden in the 21st century, with 9.7 million deaths in 2022 (9.96 million in 2020) and 20 million new cancer cases (19.6 million in 2020). Considering the increasing number of cancer cases and deaths, heterocyclic compounds always paved the gold mine for the development of potential anticancer drugs as these compounds have unique flexibility and dynamic cores. Benzothiazoles and their derivatives have potential anticancer properties, making them a desirable scaffold among different heterocycles. Title structures are a class of chemicals that may bind to various receptors with high affinity, particularly those engaged in oncogenic processes. The use of these compounds allows medicinal chemists to rapidly produce anticancer treatments across a large range of targets over an extended length of time. The current study presents a thorough success story of benzothiazole derivatives as anticancer agents. It discusses the current state of cancer, the profile of benzothiazole-based derivatives synthetic pathways, and its relevance as an anticancer agent on several oncogenic pathways. The structure-activity relationship was also added to offer insight into the connection of biological data with structure and the rational design of more active drugs. [Display omitted] • Cancer may develop at any age, including fetuses, although the risk of most forms of cancer increases with age. • More than 85 % of FDA-approved pharmaceutical molecules contain heterocycles, and demonstrate promising anticancer activity • Benzothiazole is a five-membered ring composed of a benzene ring and a thiazole ring. • The current review highlights the success story of benzothiazole derivatives as anticancer agents. • The review summarized the synthesis and the rational design of the most active benzothiazole derivatives. [ABSTRACT FROM AUTHOR]

This study focused on designing small donor-acceptor (D-A) frameworks for resistive memory devices. We synthesized five new organic molecules using pyridine bridged to benzothiazole and various donor moieties (triphenylamine, naphthalene, benzothiophene, t-butyl phenyl, and mesityl group) via Suzuki cross-coupling to study their memory performance. The compounds with triphenylamine and naphthalene exhibited good semiconductor behavior, with a band gap of 3.11 eV and 3.44 eV, respectively. The benzothiazole moiety, employed as a shallow trap in the acceptor segment, demonstrated the SRAM characteristics of all devices. This study examined how varying the potency of electron-donating substituents impacts charge transfer and volatile memory behavior in a small D-A system. Memory devices with triphenylamine and naphthalene donors showed binary SRAM behavior with high ON/OFF ratios of 2.82 × 103 and 2.36 × 103, while t-butylphenyl and mesityl donors exhibited lower ratios of 1.43 × 101 and 4.08 × 101, respectively. All the compounds exhibited switching characteristics at a low threshold voltage of −1 to −1.3 V. The analysis of HOMO, LUMO energy levels, and ESP images of all compounds from the DFT study, collectively indicate charge transfer and trapping are the operative mechanisms in volatile SRAM devices. [Display omitted] • Designed, synthesized, and characterized pyridine-bridged benzothiazole-based D-A architectures for organic memory devices. • Benzothiazole and pyridine were seen as shallow and weak traps resulting in molecules with static random-access memory (SRAM). • Notably, the compound with triphenylamine donor showed the highest performance with an ON/OFF ratio of 2.82 × 103 at −1.11 V. • All the devices had excellent stability over 1000 s and 100 cycles with no degradation in any state of the devices. [ABSTRACT FROM AUTHOR]

[Display omitted] • Synthesis of benzothiazole based merrifield resin supported ionic liquids (MRBT-SILs). • Characterization of synthesized MRBT-SILs. • Catalytic application of MRBT-SILs as organocatalyst for the synthesis of bio-active triazoles under ultrasonication (probe sonicator). • Catalyst can be recycled and reused up to eight cycles. A green and highly efficient catalysts based on merrifield resin supported acidic ionic liquids (MRBT-SILs) were synthesized using merrifield resin (non-toxic and chemically inert) and benzothiazole. The application of MRBT-SILs for the greener synthesis of 1,2,4-triazole-3-thiones or 1,2,4-triazole-3-oxones from condensation of ketones and thiosemicarbazide or semicarbazide respectively in 60% ethanol under ultra-sonication was studied. The protocol so developed has many additional benefits compared to those reported in previous articles such as smooth reaction, use of alcohol as solvent, good yield, ambient temperature, an easy workup procedure, catalyst recyclability, and high atom economy, making it highly efficient for synthesis as it obeys green chemistry principles. Further, catalyst could be reused up to eight cycles without any loss of its catalytic activity. [ABSTRACT FROM AUTHOR]

[Display omitted] Vascular endothelial growth factors (VEGFs) are a class of homodimeric ligands that bind to their receptors (VEGFRs) to carryout physiological and pathological angiogenesis essential for regulating homeostasis of body. Overexpression of VEGF results in metastasis of benign tumor into malignant tumor. An active role of VEGFR-2 in cancer angiogenesis makes it a major target for cancer therapy. FDA approved VEGFR-2 inhibitors like sorafenib, vemurafenib and dabrafenib, and monoclonal antibodies such as bevacizumab and ramucirumab are available in market but possess side effects like hypertension, CVS disorders, liver damage and adverse effects like Iatrogenicity. Several research groups across the globe have designed and reported varied small molecules from different heteronuclei like quinazoline, pyrimidine, coumarin, pyrazole, indoline, benzimidazole, benzoxazole, etc. as VEGFR-2 inhibitors based on the information available on active site of the receptor, and pharmacophoric features of FDA approved drugs. The present review compiles the information available on benzo-fused heteronuclear compounds including benzimidazole, benzoxazole and benzothiazole in recent years, with emphasis on their design, activity, structure–activity relationship (SAR) and docking analysis for understanding binding interactions in the active site of VEGFR-2. In addition to this, a topological similarity analysis of these compounds is performed taking sorafenib as template, and a comprehensive SAR is proposed for researchers to further explore the anticancer potential of these pharmacophore. [ABSTRACT FROM AUTHOR]

In this paper, we present for the first time an efficient method for synthesizing three novel tetra–coordinated BF 2 complexes, specifically 6,6-difluoro-2,4-dimethyl-6 H -5λ4,6λ4-benzo [4,5]imidazo(oxazolo/thiazolo)[3,2- c ]pyrimido [2,1- f ][1,3,5,2]triazaborinines (4a–c). These compounds were synthesized via the reaction of selected N -(4,6-dimethylpyrimidin-2-yl)-benzo[ d ]imidazo(oxazolo/thiazolo)-2-amines (3a–c) with BF 3 ·OEt 2 , employing Et 3 N as a base. Optimized yields ranging from 64 to 69 % were achieved when the reactions were conducted in anhydrous CHCl 3 at room temperature for 24 h. The structural elucidation of BF 2 complexes 4a-c was performed through multinuclear NMR, FTIR, SC-XRD, and HRMS techniques. These compounds demonstrated thermal stability up to 150 °C as evidenced by thermogravimetric analysis. The spectroscopic properties (in both solution and solid states) and the electrochemical properties of the synthesized derivatives were thoroughly investigated using UV–Vis spectroscopy, steady-state, time-resolved fluorescence emission, TD-DFT calculations, and redox potential measurements. The results of this study highlighted a dependence of the compounds' properties on the heteroatom (NH, O, or S) present within the heterocyclic skeleton. [Display omitted] • Tetracyclic BF 2 -organoboron complexes as a new luminescent framework is covered. • Complete structural elucidation by NMR, FTIR, TD-DFT and SC-XRD is performed. • Optical in solution, solid-state, AIE phenomenon and redox potential are addressed. • Good thermal stability up to 150 °C and T d = 188–359 °C range given by TGA. [ABSTRACT FROM AUTHOR]

• The solvatochromic HBT1 dye which harbours aggregation induced emission in > 80 % H 2 O–CH 3 CN solution has been utilized for fluorescence imaging of Latent fingerprints (LFPs) using wet and powder dusting methods. • We demonstrate the effectiveness of HBT1 as a fingerprint solution and powder on porous, semi porous and non-porous surfaces for visualization of levels 1–3 including details of sweat pores. • We have carried out the effect of physical factors such as temperature (25–300 °C) and humidity (40–80%) on fingerprint development. • The lifting of developed fingerprints using adhesive tape and dactyloscopy (analysis of fingerprints) have been demonstrated. • The agarose gel electrophoresis revealed that HBT1 does not degrade the dsDNA at a concentration as high as 1 mM (dsDNA: HBT1 ratio 1:15000). The solvatochromic HBT1 dye which harbours aggregation induced emission in > 80 % H 2 O–CH 3 CN solution and solid-state emission properties has been utilized for fluorescence imaging of Latent fingerprints (LFPs) using wet and powder dusting methods. We demonstrated (i) effectiveness of HBT1 as a fingerprint powder on porous, semi porous and non-porous surfaces; (ii) visualization of levels 1–3 including details of sweat pores; (iii) effect of temperature (25–300 °C) and humidity (40–80 %) on fingerprint development; (iv) lifting of developed fingerprints using adhesive tape; (v) development of old or aged (90 days) and stained LFPs and (vi) dactyloscopy (analysis of fingerprints of different subjects). The gel electrophoresis study showed no degradation of dsDNA in the presence of HBT1 at 0.01–1 mM concentration. [ABSTRACT FROM AUTHOR]

• An efficient synthesis was developed for the synthesis of N-(benzo[d]thiazol/oxazole-2-yl)−6-methyl-5-phenylpicolinamide derivatives. • Their anticancer potential was evaluated against DU-145(prostrate) and SKOV-3 (ovarian) cell lines. • The presence of electron rich OCH 3 group on phenyl ring and thiazole ring in the structure of compound 5f makes it to show to strong cytotoxicity. • The molecular binding studies showed that compounds 5f and 5e had strong binding to human EGFR with binding energies of −8.5 and −8.2 Kcal/mol. An efficient synthesis was developed for the synthesis of N-(benzo[d]thiazol/oxazole-2-yl)-6-methyl-5-phenylpicolinamide derivatives(5a-5 h;8 compounds) with good yields by condensation reactions using benzo[d]thiazol/oxazole-2-amines with 5‑bromo-6‑methoxy picolinic acids in the presence of Hexafluorophosphate Azabenzotriazole Tetramethyl Uronium (HATU)/ 4-Dimethylaminopyridine (DMAP) in Dimethylformamide (DMF) followed by coupling with phenylboronic acid in the presence of 1,1 -Bis(diphenylphosphino)ferrocene dichloropalladium(II):(Pd(dppf)Cl 2 ·CH 2 Cl 2) , Cs 2 CO 3 in Dioxane/H 2 O medium. Further, the anticancer potential of these derivatives was evaluated against DU-145(prostrate) and SKOV-3 (ovarian) cell lines. Results indicated moderate to good activity, with compound 5f exhibiting the best cytotoxicity with IC 50 values of 8.3 and 8.9 µM for SKOV-3 and DU145 cells respectively as compared to standard Doxorubicin values 0.53 ± 0.08 and 0.68 ± 0.05 for same cell lines.. Additionally, molecular binding studies showed that compounds 5f and 5e had strong binding to human epidermal growth factor receptor, with binding energies of -8.5 and -8.2 Kcal/mol indicates conformational change in the structure of the receptor, leading to activation of signaling pathways promoting proliferation. So, the presence of electron rich OCH 3 group on phenyl ring as well as thiazole ring in the designed molecule 5f makes it more potent to show strong cytotoxicity which was also revealed by its binding studies towards the human epidermal growth factor receptor. However, fluorine makes the compounds 5 g and 5 h to show moderate activity against these cancer cell lines. [Display omitted] [ABSTRACT FROM AUTHOR]

• Synthesis and spectroscopic characterization of benzothiazole based sulfonamide scaffolds. • Isolated compounds were evaluated for in vitro anti-Diabetic inhibition. • A number of the compounds exhibited excellent activity, some better than the reference standards. • A molecular docking study was used to determine the binding interactions of the potent compounds with the enzymes. In the current research study, benzothiazole based sulfonamide scaffolds were designed and synthesized having promising efficacy as dual inhibitors of alpha-Amylase & alpha-Glucosidase with a purpose to cure one of the chronic diseases, Diabetes Mellitus. Synthetic confirmation of all the derivatives was accomplished through different spectroscopic techniques, 13C NMR, 1H NMR and HREI-MS. For the evaluation of drug potency of the newly synthesized ligands, biological activity was conducted using the standard drug acarbose (IC 50 = 5.40 ± 0.30 µM for α-amylase and 5.70 ± 0.50 µM for α-glucosidase). A wide span of inhibitory potentials were shown by the analogs of current series covering a range of IC 50 = 20.70 ± 0.20 µM and 2.10 ± 0.70 µM for α-amylase and 21.40 ± 0.20 µM and 2.40 ± 0.10 µM for α-glucosidase. Potency of the analogs is mainly dependent on the attached substituent moieties, their nature, number and position on the phenyl ring. Based on these protocols, analog-4 with an IC 50 = 2.10 ± 0.70 µM for α-amylase and 2.40 ± 0.10 µM for α-glucosidase was found to be the top ranking scaffold with excellent inhibition against the target enzymes in the series. In analog-4, the trifluoromethyl moiety at the para position of the ring, capable to interact through hydrogen bond with active site of the enzyme, is the contributing factor to the efficacy of the analog. Binding insight of the protein-ligand interaction of all the potent analogs was gained through molecular docking study. Furthermore, the drug likeness attributes of the potent derivatives were explored through ADME analysis. [ABSTRACT FROM AUTHOR]

Ag(Ⅰ) complexes based on benzothiazole-phosphine ligands exhibit bright long-lived phosphorescence at 298 K. [Display omitted] • Two ionic silver(I) complexes based on benzothiazole-phosphine N^P ligands have been synthesized. • Two complexes in powder exhibit bright long-lived phosphorescent emissions at 298 K. • The coordination geometries around Ag(I) centers adopt distorted tetrahedron (1) and trigonal planar (2), respectively. Two ionic mononuclear silver(I) complexes (1 and 2) with formula of [Ag(N^P)(Xantphos)]SbF 6 , where N^P = 2–(benzo[ d ]thiazol)–2–yl) diphenylphosphine derivatives, Xantphos = 4,5-Bis(diphenylphosphino)-9,9-dimethylxanthene, have been synthesized and characterized. Single crystal analysis reveals that the geometries around Ag(I) centers adopt distorted tetrahedron (1) and trigonal planar (2). In powder at 298 K, these complexes exhibit bright emissions with high photo-luminescent quantum yields of 55.2 % (1) and 46.7 % (2) and lifetimes of 0.426 ms (1) and 1.87 ms (2), respectively. The results suggested that these complexes containing bulky benzothiazole phosphine can realize efficient long-lived phosphorescence. [ABSTRACT FROM AUTHOR]

• Benzothiazolyl hydrazones derivatives formed cationic and neutral metal complexes. • Iridium complexes 3 and 6 display highest radical scavenging property. • Rhodium complex 8 exhibit the highest cytotoxicity with the lowest IC 50 value. In this study, we present the synthesis, characterization, bonding modes, and the results of antibacterial, antioxidant, and anticancer investigations for a series of half-sandwich complexes involving ruthenium, rhodium, and iridium with benzothiazole derivative ligands. The preparation of these complexes involved the reaction of [(arene)MCl 2 ] 2 (M = Ru, Rh, Ir) with benzothiazole derivatives (L1, L2, and L3) in a 1:2 (M:L) molar ratio, resulting in the formation of neutral and cationic complexes. Single-crystal X-ray diffraction studies revealed that ruthenium forms cationic complexes, with chloride as the counterion whereas rhodium form neutral complexes. The binding modes of the benzothiazole derivatives to the metal center for complexes 1, 4 and 8 have been confirmed by single-crystal X-ray diffraction studies. Furthermore, the in-vitro antibacterial activity of these complexes against both gram-positive strains, including Staphylococcus aureus and Bacillus thuringiensis , and gram-negative strains, such as Escherichia coli and Klebsiella pneumoniae have been assessed. We determined the minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) of these complexes to evaluate their antibacterial efficacy. Furthermore, we carried out experiments to assess the antioxidant and cytotoxic properties of these compounds. [Display omitted] [ABSTRACT FROM AUTHOR]

• Covalent organic polymer material (TB-COP) was successfully synthesized. • TB-COP showed good linearity and high sensitivity for the detection of Hg2+. • The recognition mechanism was verified by DFT theoretical calculation. • TB-COP was successfully applied to the detection and adsorption of Hg2+ in water. Porous materials for fast detection and adsorption of Hg2+, due to their good sensitivity and high adsorption capacity, were currently developed as one of the best ways to solve Hg2+ pollution. Inspired by the structure of small-molecule B-1 demonstrating specific recognition towards Hg2+, the covalent organic polymers (COPs) material TB-COP was constructed for a better demonstration of Hg2+ detection and adsorption. The results indicated that TB-COP could accomplish rapid detection of Hg2+ in about 90 s, with a good linearity (R2 = 0.9993) and high sensitivity (LOD = 36 nM). Because the electron transfer between N and S atoms in the benzothiazole moiety, the recognition of TB-COP towards Hg2+ was achieved, which was further proved by DFT calculation. Though the COPs possess its excellent fluorescence properties, the saturated adsorption capacity for Hg2+ by TB-COP reached 150.38 mg·g−1 at pH = 7. More importantly, TB-COP could be approximately recycled 5 times in the Hg2+ adsorption-desorption cycle at room temperature, providing a new strategy to solve Hg2+ pollution. [Display omitted] [ABSTRACT FROM AUTHOR]

• A benzothiazole-based fluorescent probe (BATD) was designed and characterized. • BATD exhibited high sensitivity and rapid detection for H 2 S. • BATD test papers were capable of monitoring H 2 S produced by food spoilage. • Smartphone-assisted paper probe method was combined to detect H 2 S. Hydrogen sulfide (H 2 S) is a common hazardous gas, which is associated with environmental water pollution and food spoilage. Herein, a turn-on benzothiazole-based fluorescent probe (BATD) was synthesized for detecting H 2 S and characterized by single crystal X-ray diffraction, NMR and MS. BATD exhibited enhanced fluorescence signal at 600 nm with a remarked Stokes shift (145 nm), rapid response (within 90 s) and sensitivity (limit of detection, LOD = 76 nM) for H 2 S detection. The probe was significantly fluorescent enhancement in response to H 2 S over the other analytes. In addition, BATD was employed to detect H 2 S in water samples and monitor H 2 S gas generated from food spoilage. Benefiting from the excellent performance of the probe in recognizing H 2 S, a convenient H 2 S sensing platform for smartphones had been successfully established. [Display omitted] [ABSTRACT FROM AUTHOR]

• A range of new scaffolds based on benzothiazole, benzimidazole, benzoxazole, and pyrimidine derivatives connected to N -arylacetamide and benzoate groups were synthesized and characterized using a variety of analytical and spectroscopic methods. • All synthesized compounds were tested for antimicrobial activity. • Compounds 6a, 18a, and 18b showed promising activities against a variety of multidrug-resistant microbial strains. • The results were compared to that of the in silico molecular docking study. Novel benzimidazoles, benzothiazoles, and benzoxazoles linked to N -arylacetamide were synthesized in good yields by reacting a series of 2-oxo-2-(arylamino)ethyl 4-formylbenzoates with o -phenylenediamine, 2-aminothiophenol, or 2-aminophenol in ethanol at reflux in the presence of NaHSO 3. Attempts to use the new aldehydes as adaptable precursors for the synthesis of fused dihydropyran or fused dihydropyridine via Michael or Hantzsch's reactions were unsuccessful; instead, the processes produced the corresponding arylidene derivatives. The structures of the novel compounds were verified with a variety of spectra. All synthesized compounds were evaluated for antibacterial activity against four different bacterial strains. Compound 6a had good activity against Escherichia coli in an agar diffusion assay, with an inhibitory zone width of 30 mm compared to ofloxacin (20 mm). Compounds 18a and 18b were most effective against Bacillus subtilis , with MICs of 156.3 and 312.5 µg/mL, respectively. Molecular docking investigations demonstrated that compounds 6a, 18a , and 18b had high binding affinities for bacterial tyrosyl-tRNA synthetase and DNA gyrase. [Display omitted] [ABSTRACT FROM AUTHOR]

[Display omitted] • Synthesis of benzothiazole functionalized tetraphenylethylene (TPE-BTH) is achieved. • TPE-BTH showed turn-off fluorescence response towards TNP and DNP. • TPE-BTH exhibited lower LOD for TNP of 7.28 × 10-8 M. • TPE-BTH displayed lower LOD towards DNP 1.23 × 10-8 M. • Molecular simulation was employed to investigate the interaction between TPE-BTH and TNP and DNP. The detection of nitroaromatic compounds (NACs) such as 2,4,6-trinitrophenol (TNP) and 2,4-dinitrophenol (DNP) is critical for environmental monitoring and security, due to their extensive use in explosives and the associated health risks. However, current methods for detecting these compounds face challenges in sensitivity, specificity, and practicality. In this study, a new benzothiazole functionalized tetraphenylethylene molecular scaffold (TPE-BTH) have been successfully synthesized and characterized for its potential in explosive sensing. The TPE-BTH compound exhibits distinct UV–Visible and fluorescence emission behaviors in different solvent polarities. A remarkable feature of TPE-BTH is its pronounced fluorescence quenching upon the addition of 2,4,6-trinitrophenol (TNP) and 2,4-dinitrophenol (DNP) in a dichloromethane solution, highlighting its sensitivity and potential utility in explosive detection. The detection limits for TNP and DNP were determined to be remarkably low at 7.28 × 10-8 M and 1.23 × 10-8 M, respectively. Through theoretical investigations, we explored the interaction mechanisms between TPE-BTH and TNP, uncovering the roles of internal hydrogen bonding within picric acid and π-π interactions as well as dipole interactions between the molecules. Additionally, 1H NMR was utilized to elucidate the interaction mechanisms between TPE-BTH and TNP. The development of TPE-BTH as a molecular scaffold for NAC detection significantly contributes to the field of explosive sensing and environmental monitoring. [ABSTRACT FROM AUTHOR]

DFT calculations on synthesis of benzothiazoles via cyclization of 2-aminothiophenols with CO 2 and triethoxysilane have revealed a novel mechanism that fundamentally differs from previously proposed mechanisms. In this new mechanism, the acetate anion plays a pivotal role in both stages of the reaction: first, in the formation of the formoxysilane intermediate via CO 2 reduction, and second, in its subsequent transformation to the product, benzothiazoles. The acetate anion acts as a nucleophile to activate the Si−H bond of triethoxysilane in the CO 2 reduction stage and as a base, deprotonating 2-aminothiophenol and generating a HOAc molecule, which then acts as a proton shuttle in the subsequent transformations leading to the final product. Throughout the whole reaction process, it is the acetate anion that plays a substantial role in catalyzing the reaction by activating the Si–H bond of triethoxysilane, contrasting with the previous notion that the imidazolium cation activates CO 2 through the formation of a NHC-CO 2 adduct. Furthermore, the proposed mechanism offers a rational explanation for the observed inefficiency of imidazolium trifluoromethansulfonate as a catalyst for this reaction. The elucidation of this new mechanism sheds light on the intricate details of the benzothiazole synthesis and may inspire further investigations in this field. [Display omitted] • The new mechanism presents a novel catalytic species, [OAc]¯, instead of the previously proposed [Bmim]+. • Both nucleophilicity and basicity of the acetate anion play a critical role in facilitating the reaction. • Si–H bond activation occurs prior to CO2 activation. • The observed inefficiency of [Bmim][OTf] is well rationalized. [ABSTRACT FROM AUTHOR]

This study presents a one-pot synthesis method involving a Michael acceptor formation via condensation reaction between aldehyde and benzothiazole-2-acetonitrile catalyzed by bovine serum albumin (BSA), followed by a decarboxylative Michael addition reaction using keto esters as nucleophiles and immobilized lipase (Novozym435) as a catalyst. This approach enabled the synthesis of 11 derivatives of 2-(benzo[ d ]thiazol-2-yl)-5-oxo-3-arylhexanenitrile with yields ranging from 54 % to 91 %. [ABSTRACT FROM AUTHOR]

• Synthesis of 4-aminocoumarin and its thiazole based azo dyes. • Characterization of products by IR, NMR and mass. • Study of solvatochromism properties of the obtained products. • Calculation of the stabilities of the azo and hydrazone tautomeric forms of the dyes by using Density Functional Theory (DFT). • Testing antibacterial activity of the dyes. Herein, 4-aminocoumarin was synthesized and reacted with some diazonium salts derived from substituted 2-aminothiazoles to produce corresponding new azo dyes. These newly synthesized compounds were fully characterized by FT-IR and NMR spectroscopies and mass spectral analysis. The results testified that the obtained products exclusively exist in the hydrazone tautomeric form both in solid and solution states, and no spectral evidence of an azo structure was detected. The visible absorption spectral changes of the dyes were also studied in acetic acid, ethanol, chloroform, acetonitrile, dimethyl formamide, and dimethyl sulfoxide in the region of 300–600 nm, and the results were discussed according to possible electronic transitions in the compounds. The visible spectral behavior of ethanol-water solutions (50:50, v: v) of the dyes was also examined at different pH values at ambient temperature. Furthermore, the geometries of the proposed azo and hydrazone tautomeric forms of the dyes were optimized at B3LYP/6-311++G (d, p) level of theory. DFT calculations have been performed to evaluate the stability of the proposed azo and hydrazone tautomeric forms of the prepared dyes both in the gas phase and in solution, and the outcomes were compared with spectroscopic findings. Besides, antibacterial activities of the dyes dissolved in DMSO were evaluated using the well diffusion method against Staphylococcus aureus (ATCC 25923) and Escherichia coli (ATCC 25922) bacterial strains. [Display omitted] [ABSTRACT FROM AUTHOR]

[Display omitted] • A silicone/ZrO 2 sol hybrid coating is prepared by a facile sol–gel procedure. • The covalent bonding of the rigid zirconia structure and the flexible long-chain telomer gives the coating excellent mechanical properties. • The non-leaching antibacterial amphiphilic telomer is self-enriched on the hybrid matrix. • Good self-cleaning, fouling-release, and fouling-resistance performance of coating is achieved. • The coating is highly transparent which can meet the needs of applications in optical instruments, foldable displays, and marine facilities. Achieving a delicate equilibrium between the mechanical and antifouling attributes of silicone-based coatings remains a formidable task. This research unveiled a novel approach to crafting a hybrid antifouling coating through the amalgamation of an amphiphilic telomer, Zirconia (ZrO 2) sol, triethoxyoctylsilane (KH832) and tetraethyl orthosilicate (TEOS) using an uncomplicated sol–gel technique. The amphiphilic telomer, derived from a synthesized antibacterial acrylamide-benzothiazole small molecule, hydrophobic silanes/fluorosilanes, and hydrophilic monomers, was intricately tethered with the ZrO 2 sol, synthesized through the hydrolysis of n-propyl zirconate. The resultant coating achieved exceptional transparency (>98 % transmittance), attributed to the covalent linkage between the robust zirconia structure and the pliable, long-chain telomer. This unique bonding imparted the coating with remarkable characteristics, including high hardness (4–6H), flexibility (∼5 mm bending diameter), wear resistance, and strong adhesion (∼2.89 MPa) to the substrate. Furthermore, the self-enrichment property of the non-leaching amphiphilic telomer within the hybrid matrix contributed to the coating's outstanding self-cleaning capabilities, as well as its remarkable ability to resist fouling, including bacterial adhesion, protein attachment, diatom deposition, and biofilm formation. Overall, our research systematically explored the influence of composition and structure on both mechanical properties and antifouling performance. Ultimately, we sought to advance the development of a high-performance organic–inorganic hybrid antifouling coating poised to address the diverse requirements of applications spanning optical instruments, foldable displays, marine facilities, and various other fields. [ABSTRACT FROM AUTHOR]

[Display omitted] • A Benzothiazole functionalized pyrazine sensor BPA shows ratiometric recognition for the Cu2+ and Al3+ ions. • The BPA sensor has a low detection limit and can identify Ni2+ ions with the naked eye. • The sensing mechanism was confirmed using an FT-IR, HRMS, and DFT experiment. • Employing paper strip detection techniques, on-site detection of Ni2+, Cu2+, and Al3+ was successfully tested. Considerable research focus has been devoted to the advancement of single-component sensors that can identify several analytes. In this regard, a complex chemosensor called BPA was created by building an imine link between benzothiazole and pyrazine. On the flexible imine link, the nitrogen atoms with lone pair electrons were arranged as possible coordination sites to enable changes in molecular configurations and charge transfer. In the aqueous acetonitrile environment, BPA displayed the discriminative identification of Ni2+ by a chromogenic response (color transition from colorless to yellow) and a fluorescence "decreasing" response for Cu2+ via ligand–metal charge transfer. Additionally, BPA exhibited recognition of Al3+ through a "turn-on" fluorogenic response facilitated by the chelation-enhanced fluorescence effect. The detection limits for Ni2+, Al3+, and Cu2+ were remarkably low, measuring 5.19 nM, 16 nM, and 214 nM, respectively. A 1:1 binding stoichiometry and precise complex modes between BPA and the target metal ions were successfully determined using extensive investigations, which encompassed the utilization of Job's plot, mass spectra, NMR, and DFT analysis. The deduced coordination mechanisms were corroborated by computational and experimental methodologies. BPA 's potential practical uses were demonstrated by subsequently evaluating its ability to identify Ni2+, Al3+, and Cu2+ in actual water samples and validating its performance on-site using test strips. [ABSTRACT FROM AUTHOR]

The corrosion hindering behaviour of (E)-N'-((benzo[d]thiazol-2-yl) methylene) isonicotinohydrazide (BTMIH) was tested on mild steel (MS)/0.5 M H 2 SO 4 interface and established BTMIH as an excellent corrosion retarding agent. Various techniques, viz. electrochemical analyzing, surface studies, contact angle measurement, and gravimetric measurement, have been used to establish the corrosion-resistant behaviour of BTMIH. Thermodynamic and activation parameters obtained from gravimetric studies elucidated the mechanism of corrosion. The increase in charge transfer resistance caused by the presence of BTMIH confirmed its capacitive behaviour. Addition of 7.08 × 10−4 M of BTMIH exhibited 98 % corrosion combating efficiency confirmed by electrochemical impedance spectroscopy (EIS) results. The X-ray photoelectron spectroscopy (XPS) scan confirmed the presence of BTMIH film on the MS surface. The presence of BTMIH in electrolytic solution makes the MS surface hydrophobic towards electrolytic solution as shown by increased contact angle between MS/electrolyte (42.38° with 7.08 × 10−4 M of BTMIH compared to 12.6° with 0.5 M H 2 SO 4). The maximum magnitude of corrosion potential shift (39 mV) established BTMIH as a mixed-type inhibitor. [Display omitted] • Isoniazid modified Benzothiazole effectively suppress corrosion. • BTMIH adsorbed on MS surface effectively. • XPS confirmed the adsorption of BTMIH on MS surface. • Adsorption of BTMIH made the MS surface hydrophobic to acid solution. • This study offers eco-friendly disposal of expired drug Isoniazid. [ABSTRACT FROM AUTHOR]

[Display omitted] The misfolding and aggregation of α-Syn play a pivotal role in connecting diverse pathological pathways in Parkinson's disease (PD). Preserving α-Syn proteostasis and functionality by inhibiting its aggregation or disaggregating existing aggregates using suitable inhibitors represents a promising strategy for PD prevention and treatment. In this study, a series of benzothiazole-polyphenol hybrids was designed and synthesized. Three identified compounds exhibited notable inhibitory activities against α-Syn aggregation in vitro, with IC 50 values in the low micromolar range. These inhibitors demonstrated sustained inhibitory effects throughout the entire aggregation process, stabilizing α-Syn proteostasis conformation. Moreover, the compounds effectively disintegrated preformed α-Syn oligomers and fibers, potentially by binding to specific domains within the fibers, inducing fibril instability, collapse, and ultimately resulting in smaller-sized aggregates and monomers. These findings offer valuable insights into the therapeutic potential of polyphenol hybrids with 2-conjugated benzothiazole targeting α-Syn aggregation in the treatment of PD. [ABSTRACT FROM AUTHOR]

The use of traditional antifouling techniques in coatings leads to an increase in "ineffective" antifouling agents. Polyurethane (PU) can be easily customized by adding functional segments or anchoring antifouling agents to enhance its antifouling properties and reduce the "ineffective" content. In this study, inspired by the ancient Macedonian phalanx's efficient combat strategy of combining spears and bucklers, a series of environmental benzothiazole-silicon-contained polyurethane (PBTS) antifouling coatings with in-situ migration property in water was prepared. The content and length of the benzothiazole-modified siloxane functional chain segment were modified to improve its antifouling properties. The PBTS coatings can realize adhesion inhibition ratios up to 88.2 % and 96.3 % for Nitzschia closterium and Halamphora sp., a comprehensive antibacterial ratio of 70 % and good mussel adhesion inhibition capabilities. Importantly, the PBTS10-1 coating showed an outstanding performance in the field test. With this strategy, efficient antifouling "combat" was achieved and a promising environmental PDMS-modified PU with good adhesion strength was suggested. [Display omitted] • This work was inspired by the efficient Macedonian phalanx. • BTS were synthesized to improve antifouling properties with in-situ migration. • PBTS coatings exhibited excellent antifouling properties in the field test. [ABSTRACT FROM AUTHOR]

2,2'-Dithiobis(2,3-dihydro-1,3-benzothiazole), DTDBT, was used to mitigate the destructive effect of 0.5 M HCl on the C-steel surface. Gravimetry, potentiodynamic polarization, and electrochemical impedance spectroscopy, techniques as well as scanning electron microscopy complemented with energy-dispersive X-ray analysis for some corroded steel samples were employed. The data of different techniques were compatible and confirmed the inhibition effect of DTDBT. The potentiodynamic polarization data disclosed that the DTDBT molecules behave as a mixed-kind inhibitor. The different thermodynamic factors for the corrosion and adsorption processes were deduced to suggest the inhibition mechanism. The DTDBT molecules are adsorbed on the C-steel surface confirming the Langmuir isotherm according to a mixed mechanism (physical and chemisorption). [ABSTRACT FROM AUTHOR]

A novel benzothiazole modified chitosan (BCS) with excellent Au(III) adsorption performance and selectivity was prepared as adsorbents. The structure and morphology of the adsorbents were characterized by FTIR, SEM, XRD and XPS. The adsorption property of the adsorbents for Au(III) were investigated under different reaction time, initial concentration of Au(III), temperature, pH and coexisting ions. The maximum adsorption capacity of BCS for Au(III) was 1072.22 mg/g at 298 K and optimal pH = 4, which was better than that of other adsorbents reported in literature. The adsorption kinetics and isotherm models fit the pseudo-second-order and Langmuir equations. This shows that the adsorption process of Au(III) is a monolayer chemical adsorption. The adsorption process can proceed spontaneously and belong to the endothermic reaction according to the thermodynamic results. The excellent adsorption performance is mainly attributed to the ion exchange and chelation of the nitrogen, sulfur and oxygen groups on the adsorbent with gold ions. Significantly, BCS has excellent selectivity toward Au(III) and remarkable recycle performance. With the high adsorption capacity, excellent selectivity and outstanding reusability, the BCS adsorbent could be a promising candidate to adsorb Au(III) from wastewater. • A novel benzothiazole modified chitosan adsorbent • The adsorbent has a maximum adsorption capacity of 1072.22 mg/g. • The adsorbent can be used in acidic solutions. • The adsorbent has excellent selectivity and reusability. [ABSTRACT FROM AUTHOR]

• A fire-new corrosion inhibitor AMB is found to prevent the corrosion of copper. • Using more than one technique investigated the inhibition performance of AMB. • The inhibition efficiency of 3 mm AMB was more than 90% at different temperatures. • AMB had remarkable corrosion inhibition performance for Cu in H 2 SO 4 by AFM analysis. The corrosion problem of Cu has aroused people's high attention while it is used in various fields of society. Organic compounds have great potential as high-efficiency corrosion inhibitors because of their practical and economical. The anti-corrosion performance of 2-Amino-6-(Methylsulfonyl)Benzothiazole (AMB) was studied by electrochemical experiment, weight loss measurements complemented by surface analysis using Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM) and atomic force microscopy (AFM). The interaction between AMB and copper was studied at molecular level by using theoretical calculation. The electrochemical experiment demonstrated that as the consistence of AMB augmented, the anti-corrosion effect increased, and when the concentration reached 3 mM, the anti-corrosion efficiency (η) was 95.95%. And the change of temperature has no significant effect on the corrosion inhibition efficiency. Weight loss measurements effectively support the phenomenon of electrochemical experiment. Besides the phenomenon of FTIR and XPS intuitively show the information of bonding between AMB and copper. Employing SEM and AFM, proving AMB can effectively adsorb on the interface of copper. Langmuir adsorption model illustrates that the adsorption of AMB is mixed adsorption. The mechanism of corrosion inhibition is further elucidated by quantum chemical calculation and molecular dynamics simulation. [Display omitted] [ABSTRACT FROM AUTHOR]

A novel small molecule based on benzothiazole-piperazine has been identified as an effective multi-target-directed ligand (MTDL) against Alzheimer's disease (AD). Employing a medicinal chemistry approach, combined with molecular docking, MD simulation, and binding free energy estimation, compound 1 emerged as a potent MTDL against AD. Notably, compound 1 demonstrated efficient binding to both AChE and Aβ1–42, involving crucial molecular interactions within their active sites. It displayed a binding free energy (ΔG bind) −18.64± 0.16 and −16.10 ± 0.18 kcal/mol against AChE and Aβ1–42, respectively. In-silico findings were substantiated through rigorous in vitro and in vivo studies. In vitro analysis confirmed compound 1 (IC 50 =0.42 μM) as an effective, mixed-type, and selective AChE inhibitor, binding at both the enzyme's catalytic and peripheral anionic sites. Furthermore, compound 1 demonstrated a remarkable ability to reduce the aggregation propensity of Aβ, as evidenced by Confocal laser scanning microscopy and TEM studies. Remarkably, in vivo studies exhibited the promising therapeutic potential of compound 1. In a scopolamine-induced memory deficit mouse model of AD, compound 1 showed significantly improved spatial memory and cognition. These findings collectively underscore the potential of compound 1 as a promising therapeutic candidate for the treatment of AD. [Display omitted] • A benzothiazole-piperazine-based small molecule has been developed as an effective MTDL against AD. • Compound 1 (IC 50 =0.421 μM) was a potent, mixed-type, and selective AChE inhibitor. • Compounds 1 at 50 μM effectively reduced the aggregation propensity of Aβ by 80.708%. • Compound 1 demonstrated potent neuroprotection in cells induced with H 2 O 2 and OKA neurotoxicity. • Compound 1 showed improved spatial memory and cognition in the scopolamine-induced memory deficit mouse model of AD. [ABSTRACT FROM AUTHOR]

Developing new antimicrobials to combat drug-resistant bacterial infections is necessary due to the increasing problem of bacterial resistance. In this study, four metallic ruthenium complexes modified with benzothiazoles were designed, synthesized and subjected to bio-evaluated. Among them, Ru-2 displayed remarkable inhibitory activity against Staphylococcus aureus (S. aureus) with a minimum inhibitory concentration (MIC) of 1.56 μg/mL. Additionally, it showcased low hemolytic toxicity (HC 50 > 200 μg/mL) and the ability to effectively eradicate S. aureus without fostering drug resistance. Further investigation into the antibacterial mechanism suggested that Ru-2 may target the phospholipid component of S. aureus , leading to the disruption of the bacterial cell membrane and subsequent leakage of cell contents (nucleic acid, protein, and ONPG), ultimately resulting in the death of the bacterial cell. In vivo studies, both the G. mellonella larvae and the mouse skin infection models were conducted, indicated that Ru-2 could potentially serve as a viable candidate for the treatment of S. aureus infection. It exhibited no toxic or side effects on normal tissues. The results suggest that benzothiazole-modified ruthenium complexes may have potential as membrane-active antimicrobials against drug-resistant bacterial infections. The increasing problem of bacterial resistance need the development of new antimicrobial to combat drug-resistant bacterial infections. In this study, we design, synthesis and bio-evaluation of four metallic ruthenium complexes modified with benzothiazoles. Among them, Ru-2 exhibited excellent inhibitory activity against Staphylococcus aureus (S. aureus) with the minimum inhibitory concentration (MIC) of 1.56 μg/mL. It also demonstrated low hemolytic toxicity (HC 50 > 200 μg/mL) and the ability to rapidly kill S. aureus without promoting drug resistance. Further investigation into the antibacterial mechanism suggested that Ru-2 may target the phospholipid component of S. aureus , leading to the disruption of the bacterial cell membrane and subsequent leakage of cell contents (nucleic acid, protein, and ONPG), resulting in the death of the bacterial cell. In vivo studies using both the G. mellonella larvae infection model and the mouse skin infection model indicated that Ru-2 could be a potential candidate for the treatment of S. aureus infection, as it exhibited no toxic or side effects on normal tissues. These findings suggest that ruthenium complexes modified with benzothiazole have the potential to be used as membrane-active antimicrobial agents against drug-resistant bacterial infectio. [Display omitted] • Four ruthenium complexes of benzothiazole were designed and synthesized, which showed excellent inhibitory activity (1.56 μg/mL - 6.25 μg/mL) against S. aureus. • The Ru-2 disrupts the integrity of the bacterial cell membrane (leakage of bacterial contents), leading to bacterial death. • In vivo experiment, Ru-2 has favorable therapeutic activity against S. aureus infection in mice and G. mellonella wax worms. [ABSTRACT FROM AUTHOR]

Proton transfer plays a crucial role in physical, chemical, and biological macromolecular systems, and the Excited-State Intramolecular Proton Transfer (ESIPT) effect is widely studied in the field of fluorescent materials. Fluorophores exhibiting the ESIPT effect, such as 2- (2′-hydroxyphenyl) benzothiazole (HBT) and salicylaldehyde, possess significant advantages over other types of fluorophores, including a large Stokes shift, long fluorescence lifetime, high fluorescence quantum yield, and ease of synthesis. Additionally, the dual-channel fluorescence emission of ESIPT fluorophores provides more opportunities for the development of "turn-on," "turn-off," and "ratio-type" fluorescence probes. Over the past three years (2020–2023), the number of publications on ESIPT fluorescent probes has steadily increased, indicating continued research value in this field. However, there have been few comprehensive reviews in this area, and the ESIPT effect is influenced by factors such as hydrogen bonding, microenvironment, and substituents, posing challenges to the development of efficient fluorescent probes. Therefore, herein, we systematically summarize ESIPT probes with excellent fluorescence properties and outstanding recognition abilities over the past three years, based on different ESIPT fluorophores. Subsequently, we provide an overview of prevalent recognition mechanisms employed by ESIPT fluorescence probes, including ion chelation, modification of active protons, modulation of electron cloud density, specificity achieved through enzymatic interactions, etc. Finally, a summary and prospects for future research are provided. • A comprehensive review of ESIPT fluorescent probe reports from 2020 to 2023. • The recognition mechanisms of ESIPT fluorescent probes summarized. • Analyzed the strengths and weaknesses of ESIPT probes and provided a prospective outlook on their development. [ABSTRACT FROM AUTHOR]

To ensure good air quality during the China International Import Expo (CIIE) event, stringent emission-reduction measures were implemented in Shanghai. To assess the efficacy of these measures, this study measured typical categories of intermediate/semi volatile organic compounds (I/SVOCs), including alkanes (C 10 –C 26 n-alkanes and pristane), EPA-priority polycyclic aromatic hydrocarbons (PAHs), alkylnaphthalenes, benzothiazole (BTH) and chlorobenzenes (CBs), at an urban site of Shanghai before and during two CIIE events (2019 and 2020; non-CIIE versus CIIE). The average concentrations of alkanes and PAHs during both 2019 and 2020 CIIE events decreased by approximately 41% and 17%, respectively, compared to non-CIIE periods. However, the decline in BTH and CBs was only observed during CIIE-2019. Secondary organic aerosol (SOA) formation from alkanes, PAHs and BTH was evaluated under atmospheric conditions, revealing considerable SOA contributions from dimethylnaphthalenes and BTH. Positive matrix factorization (PMF) analysis further revealed that life-related sources, such as cooking and residential emissions, make a noticeable contribution (21.6%) in addition to the commonly concerned gasoline-vehicle sources (31.5%), diesel-related emissions (20.8%), industrial emissions (18.6%) and ship emissions (7.5%). These findings provide valuable insights into the efficacy of the implemented measures in reducing atmospheric I/SVOCs levels. Moreover, our results highlight the significance of exploring additional individual species of I/SVOCs and life-related sources for further research and policy development. [Display omitted] • Thedrop in atmospheric I/SVOCs observed during CIIE showed the efficacy of the temporarily implemented measures. • Dimethylnaphthalenes and BTH showed considerable potentials as SOA precursors under atmospheric conditions. • Life-related sources of I/SVOCs should be considered for further research and policy design. [ABSTRACT FROM AUTHOR]

[Display omitted] The unique heteroaromatic framework of the marine alkaloid violatinctamine has been assembled using a one-pot Pictet-Spengler-autoxidation sequence. Control studies infer the initially formed tetrahydroisoquinoline undergoes a triplet oxygen-mediated autoxidation to the dihydroisoquinoline. Further studies led to a biomimetic synthesis and structural affirmation of the insect derived monoamine polyrhadopamine D. [ABSTRACT FROM AUTHOR]