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A series of thieno[3,2- b ]thiophene (TT) flanked para -azaquinodimethane (p -AQM) based quinoidal conjugated polymers PAQM2TT-T , PAQM2TT-BT and PAQM3TT were designed in a strategy to extend the aromatic-quinoidal π-system. The three polymers were synthesized by Stille polycondensation, and their opto-electronic properties and device performance in field-effect transistors have been explored. From absorption spectroscopy, the polymers show low bandgaps (1.54–1.57 eV) and high HOMO energy levels. They exhibit typical p-type behavior according to the results of the characterization of the field-effect transistors with average charge carrier mobilities of 0.08 cm2 V−1 s−1 for PAQM2TT-T , 0.12 cm2 V−1 s−1 for PAQM2TT-BT and 0.05 cm2 V−1 s−1 for PAM3TT. This report presents an alternative π-extended quinoidal-donor strategy to control the molecular design and properties of new p -AQM-based conjugated polymers. • A novel monomer unit containing thienothiophene and p-azaquinodimethane moieties has been designed and synthesized. • Pi-extented aromatic-quinoidal systems have been prepared. • Bottom-gate top-contact field-effect transistors show mobilities up to 0.12 cm2 V−1 s−1. [ABSTRACT FROM AUTHOR]

The development of unconventional long-wavelength fluorescent polymer hydrogels without using polycyclic aromatic hydrocarbons or extended π-conjugation is a fundamental challenge in luminescent materials owing to a lack of understanding regarding the spatial interactions induced inherent clustering-triggered emission under water-rich conditions. Inspired by the color change of protein astaxanthin as a result of heat-induced denaturation, we propose a thermodynamically driven strategy to develop red fluorescence (~610 nm) by boiling multiple hydrogen-bonded poly(N-acryloylsemicarbazide) hydrogels in a water bath. We reveal that thermodynamically driven conformational changes of polymer chains from isolated hydrogen bonding donor-acceptor structures to through-space interaction structures induce intrinsic fluorescence shifts from blue to red during clustering-triggered emission. The proposed multiple hydrogen-bonding supramolecular hydrogel shows good fluorescence stability, mechanical robustness, and 3D printability for customizable shaping. We provide a viable method to prepare nonconventional long-wavelength fluorescent hydrogels towards soft fluorescent devices without initially introducing any fluorescent components. The development of fluorescent polymer hydrogels without the use of extended pi-conjugation is challenging. Here, the authors report the use of clustering-trigger emission to give red fluorescence on boiling polymer hydrogels, with tuneable emission properties. [ABSTRACT FROM AUTHOR]

• The effect of conjugation on pyrrole oligomers is addressed by increasing the length of the π -bridge. • The influence on the length of π – conjugation on band gap, absorption maxima, anti-corrosion studies and NLO activity is studied. • QTAIM and NBO analysis highlights the nature of weak interactions including hydrogen bonding in stabilizing these molecules and substantiates the high stability of monomers. • Lifetime analysis indicates that pentamer has more than 3 ns radiative life time. To investigate the influence of π-conjugation on optical properties, models of Pyrrole oligomers with varying π-bridge lengths, ranging from 1 to 5, were constructed. The π-bridge plays a crucial role in tuning and modulating the optoelectronic characteristics of these molecules. By employing FMO (Frontier Molecular Orbital) analysis, the band gap values were determined. Notably, the pyrrole oligomer with a 1π-bridge exhibited a higher band gap (2.68 eV) compared to the 5π-bridge variant (1.53 eV). Moreover, the calculated hyperpolarizability (β°) values exhibited a substantial increase from 37 esu to 1876 esu as the extent of π-conjugation was augmented. This suggests that enhanced π-conjugation promotes greater nonlinear optical properties. Further analysis revealed that the pyrrole oligomer with 5π-bridges displayed maximal absorption at a longer wavelength, specifically 1024 nm. This information provides valuable insights into the absorption characteristics of these molecules. Additionally, the NBO (Natural Bond Orbital) analysis successfully captured the stable donor-acceptor interactions responsible for the ground state stabilization observed in pyrrole oligomers. On the other hand, the QTAIM (Quantum Theory of Atoms in Molecules) analysis provided detailed information regarding weak interactions, such as hydrogen bonding, which contribute to the stabilization of the modeled monomers. In summary, the creation of Pyrrole oligomer models with varying π-bridge lengths facilitated the evaluation of the impact of π-conjugation on the optical properties. The findings indicate that increasing the π-conjugation leads to a decrease in the band gap, an increase in hyperpolarizability, and absorption at longer wavelengths. Additionally, the stability of the ground state and the nature of weak interactions were elucidated through NBO and QTAIM analyses, respectively. [Display omitted] [ABSTRACT FROM AUTHOR]

The conjugated silver nanoparticles using biomolecules have attracted great attention of researchers because physical dimensions and surface chemistry play important roles in toxicity and biocompatibility of AgNPs. Hence, in the current study, synthesis of bio-conjugated AgNPs with protein protease inhibitor (PI) isolated from Streptomyces spp. is reported. UV–visible spectra of PI and AgNPs showed stronger peaks at 280 and 405 nm, confirming the synthesis of conjugated AgNPs–PI. TEM and SEM images of AgNPs–PI showed spherical-shaped nanoparticles with a slight increase in particle size and thin amorphous layer around the surface of silver nanomaterial. Circular dichroism, FT-IR and fluorescence spectral studies confirmed AgNPs–PI conjugation. Conjugated AgNPs–PI showed excellent anticancer potential than AgNPs and protease inhibitor separately on human breast MCF-7 and prostate PC-3 cell lines. The findings revealed that surface modification of AgNPs with protein protease inhibitor stabilised the nanomaterial and increased its anticancer activity. [ABSTRACT FROM AUTHOR]

Keywords: azine; cross conjugation; electron acceptors; hydrogen bonds; pi conjugation EN azine cross conjugation electron acceptors hydrogen bonds pi conjugation 1 1 1 05/18/23 20230516 NES 230516 B The molecular design b in our manuscript is metaphorically represented by curling, a winter sport played on ice. Front Cover: Stereoselective Synthesis and Characterization of Indenone Azine-Based Electron-Accepting -Conjugated Systems (Chem. Eur. J. 28/2023) Azine, cross conjugation, electron acceptors, hydrogen bonds, pi conjugation. [Extracted from the article]

Benzimidazole derivatives flubendazole (FD1) and similar derivatives, mebendazole (MD2) and ricobendazole (RD3) have been studied by using various computational tools to analyze their geometry and spectral characteristics. The various reactive descriptors obtained from the FMO analysis predict the reactive nature of the compound. The various lone pair/sigma to pi conjugation was analyzed using NBO formalism, which provides valuable information about intra-molecular electron transfer which is vital in predicting the inherent stability of the molecule. Nucleophilic and electrophilic regions of the molecules are identified using MESP, which adds to the reactivity information. The compounds were found to interact with graphene monolayer results show that there is enhancement in various physicochemical descriptors and surface-enhanced Raman spectra (SERS). Prediction of Activity Spectra provide activities, glutathione peroxidase inhibitor, general pump inhibitor, membrane permeability inhibitor for FD1, glutathione peroxidase inhibitor, antihelmintic, antiparasitic for MD2 and antihelmintic, antiparasitic, catalase inhibitor for RD3. Compounds form a stable complex on docking with the receptors. Results also indicate that the ligands adsorbed over graphene also form stable complexes with the receptors as indicated by the high binding affinity energy values. [ABSTRACT FROM AUTHOR]

Front Cover: Fluorinated Dihydropentalene-1,4-Dione: A Strong Electron-Accepting Unit with Organic Semiconductor Characteristics (Chem. Eur. J. 17/2023) Diketopyrrolopyrrole, donor-acceptor, organic field-effect transistors, pentalene, pi conjugation Keywords: diketopyrrolopyrrole; donor-acceptor; organic field-effect transistors; pentalene; pi conjugation EN diketopyrrolopyrrole donor-acceptor organic field-effect transistors pentalene pi conjugation 1 1 1 03/27/23 20230322 NES 230322 B A schematic diagram reflects the strong electron affinity b of the fluorinated dihydropentalene-1,4-dione (FPD) structure, in which the electron-rich nitrogen-containing amino group in the diketopyrrolopyrrole (DPP) skeleton is replaced by a very strongly electronegative CF SB 2 sb unit. [Extracted from the article]

A novel series of D-bridge-A type organic small molecules has been designed, synthesized, and evaluated for non-volatile resistive switching write-once read-many (WORM) memory application. This study explores structure–property relationships by coupling electron-deficient malononitrile units with donors such as dibenzofuran, dibenzothiophene, and triphenylamine. Photophysical investigations revealed significant intramolecular charge transfer interaction, while electrochemical analyses demonstrated optimal band gaps ranging from 2.20 to 3.10 eV. All synthesized compounds exhibited robust, non-volatile, resistive switching memory capabilities, with ON/OFF ratios spanning 102 to 103. The lowest recorded threshold voltage was −1.25 V, and devices demonstrated substantial stability with retention times of 103 s. Notably, triphenylamine-based compounds displayed superior memory performance compared to their counterparts. The solubility of the compounds in common organic solvents suggests that they are viable for cheap fabrication techniques. Density functional theory calculations were used to visualize the key molecular orbitals and support the proposed mechanisms for resistive switching. The strategic implementation of equipotential donors and acceptors is highly desirable. This well-rounded approach guarantees optimal performance and fosters broader applicability of these devices. [ABSTRACT FROM AUTHOR]

Dead cell sorting is pivotal and plays a very significant role in homeostasis. Apoptosis and ferroptosis are the two major regulatory cell death processes. Apoptosis is a programmed cell death process, while ferroptosis is a regulatory cell death process. Monitoring the dead cells coming out from these processes is extremely important to stop various cellular dysfunctions. Here, we present a single NIR emissive probe that can observe both apoptotic and ferroptosis regulatory cell deaths. We were able to directly visualize the dead cells in both animal and plant cells upon a significant increase in the fluorescence intensity of the probe. During cell death, the increased cytoplasm viscosity restricted the rotor motion and helped in the fluorescence turn-on of the probe. Lysosomal viscosity was found to play a crucial role in the ferroptosis pathway. On the other hand, the probe was not only efficient in mapping the viscosity in various parts of live Caenorhabditis elegans (C. elegans) bodies but also able to differentiate between live and dead animals. [ABSTRACT FROM AUTHOR]

Photoresponsive conjugated polymers are a promising target for modern organic electronics. Numerous photoswitchable repeat units have been included covalently within polymeric structures to enable responsive chromic materials, most commonly through side‐chain appendages or through formal conjugation along a π‐conjugated backbone. We recently disclosed a new design whereby the photoswitch elements are cross conjugated to a conjugated polymer main chain. In this case, we found that the extent of photoconversion was dictated in part by competitive main chain light absorption, which could be suppressed by using a photoswitching motif that carried most of the frontier molecular orbital densities. Here, we report the modeling and synthesis of a series of thieno[3,4‐b]thiophene (TT)‐based photochromes with various aromatic flankers imparting varying degrees of steric bulk and π‐conjugation in order to elucidate the balancing act between steric and electronic factors to promote photochromism. These model systems provide a better understanding of the behavior of photochromic units within extended oligomeric and polymeric π‐conjugated materials. [ABSTRACT FROM AUTHOR]

With the increased demand for green and sustainable sources of fuels, photocatalytic hydrogen gas production using semiconductor catalysts is attracting tremendous attention. In this perspective article, we will discuss the state-of-the-art development of small molecule-based semiconductors for photocatalytic green hydrogen production. Organic small molecules have the benefits of easy structural engineering allowing fine modulation of optical and electronic properties for the development of efficient photocatalysts. Small molecule-based photocatalyst development is advantageous compared to that of their polymer counterparts due to various reasons including less tedious synthesis, easily tunable optical and electronic properties, improved water dispersibility, etc. Conjugated donor–acceptor, porphyrin, perylene, and organic heterojunction nanoparticles are discussed in this article for their photocatalytic activity in the hydrogen evolution reaction. We have highlighted literature reports emphasizing the impact of heteroatom substitution, conjugation, band gap, exciton diffusion length, planarity, crystallinity, molecular packing, water solubility, etc. on photocatalytic performance. [ABSTRACT FROM AUTHOR]

Objective : β- Sitosterol, which is derived from Vladimiriae Radix (VR), is used for the treatment of rheumatoid arthritis (RA), but the pharmacological mechanisms through which β- sitosterol affects RA have not been fully elucidated. Methods : Through the Traditional Chinese Medicine Systems Pharmacology and Analysis (TCMSP), PubChem, SwissTargetPrediction, GeneCards, DisGeNET, and OMIM databases, " β- sitosterol-RA"-related genes were obtained, and a target protein interaction network (protein–protein interaction [PPI]) was constructed. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses were carried out for the intersecting genes. Discovery Studio 2019 software was used to perform molecular docking on MMP9 , CASP3 , HSP90AA1 , SRC , EGFR , and ALB genes. β- Sitosterol was co-cultured with MH7A cells in three experimental groups: control group (DMSO), positive drug group (methotrexate, 80 μmol/L), and drug intervention group (10, 20, 40, 80, and 160 μmol/L β- sitosterol). The CCK8 method was used to investigate the inhibitory effect of β- sitosterol on the proliferation of MH7A cells. RT-PCR was used to analyze the mRNA expression of the abovementioned core targets. Results : A total of 41 genes associated with β- sitosterol and RA were obtained, mainly involving the FoxO signaling pathway and PI3K/AKT signaling pathway. The molecular docking results suggested that β- sitosterol could bind effectively to six core targets. The experimental results showed that β- sitosterol could significantly inhibit the excessive proliferation of MH7A cells (p< 0.05). The RT-PCR results showed that the expression of MMP9 , HSP90AA1 , SRC , EGFR , and ALB core genes in the control group was significantly upregulated, while the CASP3 gene was downregulated. Compared to the control group, the mRNA expression of MMP9 , HSP90AA1 , SRC , EGFR , and ALB decreased (p< 0.01), while the apoptosis-related gene CASP3 increased in both the drug intervention (80 μmol/L β- sitosterol) and positive drug groups (80 μmol/L methotrexate). Conclusion : Hence, β -sitosterol could contribute to the inhibition of RA by modulating cell proliferation and regulating the aforementioned six core proteins, potentially through the regulation of the FoxO and PI3K/AKT signaling pathways. [ABSTRACT FROM AUTHOR]

The selective photoreduction of CO2 in aqueous media based on earth-abundant elements only, is today a challenging topic. Here we present the anchoring of discrete molecular catalysts on organic polymeric semiconductors via covalent bonding, generating molecular hybrid materials with well-defined active sites for CO2 photoreduction, exclusively to CO in purely aqueous media. The molecular catalysts are based on aryl substituted Co phthalocyanines that can be coordinated by dangling pyridyl attached to a polymeric covalent triazine framework that acts as a light absorber. This generates a molecular hybrid material that efficiently and selectively achieves the photoreduction of CO2 to CO in KHCO3 aqueous buffer, giving high yields in the range of 22 mmol g−1 (458 μmol g−1 h−1) and turnover numbers above 550 in 48 h, with no deactivation and no detectable H2. The electron transfer mechanism for the activation of the catalyst is proposed based on the combined results from time-resolved fluorescence spectroscopy, in situ spectroscopies and quantum chemical calculations. The selective CO2 photoreduction in water mediated by earth-abundant photocatalysts remains highly challenging. Here the authors present the coordinative anchorage of molecular catalysts on a pyridine-armed covalent triazine framework for CO2 photoreduction to CO in fully aqueous solutions. [ABSTRACT FROM AUTHOR]

Metal–organic frameworks (MOFs) have emerged as a transformative class of materials, offering unprecedented versatility in applications ranging from energy storage to environmental remediation and photocatalysis. This groundbreaking review navigates the recent advancements in MOFs, positioning them against traditional materials to underscore their unique strength and potential drawbacks. In the context of energy storage, particularly within the realm of supercapacitors (SCs), MOF-based electrodes are evaluated for their superior specific capacitance (exceeding 1000 F/g), although these benefits are tempered by higher production cost. A comparative analysis with conventional activated carbon (AC) electrodes reveals MOFs' enhanced performance but also highlights cost as a significant barrier to widespread adoption. In carbon capture and storage (CCS), MOFs are contrasted with established liquid-amine technologies, with MOFs demonstrating environmental benefits, including the ability to achieve high-purity CO2 collection (>99%), despite higher expenses. Similarly, in photocatalysis, while titanium dioxide remains dominant, MOFs are shown to offer competitive performance with a reduced environmental footprint, though cost considerations again play a decisive role. This review not only consolidates the current state of MOF research but also identifies critical gaps, particularly in cost-effectiveness, that must be addressed to enable broader application. The findings advocate for continued innovation in MOF synthesis and production, with an emphasis on achieving a balance between performance and affordability. In summary, this review highlights the pivotal role of MOFs in advancing materials science and underscores the need for holistic approaches in material selection, with a forward-looking perspective on sustainable and economical production methods. [ABSTRACT FROM AUTHOR]

Salt cavern flow batteries (SCFBs) are an energy storage technology that utilize salt caverns to store electrolytes of flow batteries with a saturated NaCl solution as the supporting electrolyte. However, the geological characteristics of salt caverns differ significantly from above-ground storage tanks, leading to complex issues in storing electrolytes within salt caverns. Therefore, investigating and summarizing these issues is crucial for the advancement of SCFB technology. This paper's innovation lies in its comprehensive review of the current state and development trends in SCFBs both domestically and internationally. First, the current development status of SCFB energy storage technology both domestically and internationally is summarized. Then, eight main issues are proposed from the perspectives of salt cavern geological characteristics (tightness, conductivity, ions, and temperature) and electrolyte properties (selection, permeability, corrosion, and concentration). Finally, a novel SCFB system is proposed to address the most critical issue, which is the low concentration and uneven distribution of active materials in the current SCFB system. The review in this paper not only comprehensively summarizes the development status of SCFBs both domestically and internationally, but also points out the direction for the future research focussing on SCFBs. [ABSTRACT FROM AUTHOR]

An Aqueous Redox Flow Battery (ARFB) has emerged as a sustainable option for large-scale energy storage systems due to its relatively low cost and abundant raw materials. However, there exists a pressing need to enhance its power density and energy efficiency by addressing limitations such as low stability and poor solubility of redox-active species. In this study, we present a systematic analysis of an asymmetric viologen-based negolyte named MMV (1-methyl-4,4′-bipyridinium iodide) and its detailed comparative study with N,N′-dimethyl-4,4′-bipyridinium diiodide (dimethyl viologen (DMV)). Following extensive electrochemical characterization, we constructed an alkaline MMV battery paired with the potassium ferro/ferricyanide posolyte at a higher concentration (0.8 M), yielding a cell voltage of 1.25 V, nearly equivalent to those of vanadium RFBs. Remarkably, long-term cycling with 97% coulombic efficiency (CE) and 71% energy efficiency (EE) was achieved at a current density of 60 mA cm−2. Furthermore, we observed 99% capacity retention over 100 cycles and 75% capacity retention over 500 charge/discharge cycles. Additionally, we performed a detailed Density Functional Theory (DFT) analysis of MMV. This study underscores the importance of inhibiting dimer formation in viologen derivatives and positions MMV as a promising negolyte surpassing DMV. [ABSTRACT FROM AUTHOR]

An efficiency of delocalization in strongly conjugated systems remains an important factor crucial for modulation of the optical properties directly correlated with its range. An ortho‐substituted phenylene derivative bearing electron donating/accepting functionality was built‐in a fully unsaturated macrocyclic system with a global delocalization of a diatropic and/or a paratropic current. A precisely located structural modification influence observed behaviour in spectroscopic parameters that are only slightly recognizable in 4n+2 systems but showing a significant influence on the reduced derivatives with a contribution of 4n π‐electrons delocalization path. [ABSTRACT FROM AUTHOR]

SMYD3 (SET and MYND domain‐containing 3) is a histone lysine methyltransferase highly expressed in different types of cancer(s) and is a promising epigenetic target for developing novel antitumor therapeutics. No selective inhibitors for this protein have been developed for cancer treatment. Therefore, the current study describes developing and characterizing a novel small molecule ZYZ384 screened and synthesized based on SMYD3 structure. Virtual screening was initially used to identify a lead compound and followed up by modification to get the novel molecules. Several technologies were used to facilitate compound screening about these novel molecules' binding affinities and inhibition activities with SMYD3 protein; the antitumor activity has been assessed in vitro using various cancer cell lines. In addition, a tumor‐bearing nude mice model was established, and the activity of the selected molecule was determined in vivo. Both RNA‐seq and chip‐seq were performed to explore the antitumor mechanism. This work identified a novel small molecule ZYZ384 targeting SMYD3 with antitumor activity and impaired hepatocellular carcinoma tumor growth by reducing H3K4 trimethylation of the Rac1 promoter triggering the tumor cell cycle arrest through the AKT pathway. [ABSTRACT FROM AUTHOR]

Two new yellow azo pyridone derivatives, (E)-6-hydroxy-1-(3-methoxypropyl)-4-methyl-2-oxo-5-(p-tolyldiazenyl)-1,2-dihydropyridine-3-carbonitrile (APY-M) and 5,5′-((1E,1′E)-(methylenebis(4,1-phenylene))bis(diazene-2,1-diyl))bis(6-hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile) (APY-D), were designed and synthesized as yellow colorants for image sensors. The properties of these new compounds were evaluated in both solution and color filter film forms, focusing on their optical and thermal characteristics. The molar extinction coefficient values of APY-M and APY-D in solution were found to be 2.7 × 105 and 3.0 × 105 L/mol·cm, respectively. The transmittance of the newly synthesized compounds met commercial requirements, showing values below 0.21% at 435 nm and above 97.1% at 530 nm. APY-D exhibited a molar extinction coefficient value in solution that was 1.15 times higher than that of the commercially used yellow colorant Disperse Yellow 241. Both newly synthesized compounds satisfied the decomposition temperature requirement of over 230 °C, which is essential for the color filter manufacturing process in image sensors. In particular, APY-D, with its dimeric structure and increased molecular weight, demonstrated enhanced thermal stability, with a 50 °C increase in decomposition temperature compared to Disperse Yellow 241. Color filter films for image sensors were fabricated using the new compounds, and their thermal resistance was evaluated. APY-D maintained its transmittance due to the enhanced thermal stability provided by its dimer structure and increased molecular weight. Consequently, APY-D is anticipated to be a promising candidate for use as a yellow colorant in image sensors, owing to its excellent optical and thermal properties. [ABSTRACT FROM AUTHOR]

We report an extensive tabulation of several important topological invariants for all the isomers of carbon (5 , 6) -fullerenes C n with n = 52–70. The topological invariants (including Kekulé count, Clar count, and Clar number) are computed and reported in the form of the corresponding Zhang–Zhang (ZZ) polynomials. The ZZ polynomials appear to be distinct for each isomer cage, providing a unique label that allows for differentiation between various isomers. Several chemical applications of the computed invariants are reported. The results suggest rather weak correlation between the Kekulé count, Clar count, Clar number invariants, and isomer stability, calling into doubt the predictive power of these topological invariants in discriminating the most stable isomer of a given fullerene. The only exception is the Clar count/Kekulé count ratio, which seems to be the most important diagnostic discovered from our analysis. Stronger correlations are detected between Pauling bond orders computed from Kekulé structures (or Clar covers) and the corresponding equilibrium bond lengths determined from the optimized DFTB geometries of all 30,579 isomers of C20–C70. [ABSTRACT FROM AUTHOR]

Industrial wastewater emitted from textile industry is the chief cause of water pollution comprising a huge amount of dyes. The purpose of the present researchis optimization of adsorptive removal of pink-XFG dye in batch and column mode using novel green polymeric conductive hybrid materials. Successful synthesis of materials and thermal stability was confirmed via FTIR, SEM, and TGA–DSC. The maximum adsorption capacity for ES (19.6 mg/g), ES-ZnO-PTh (27.7 mg/g), ES-ZnO-PAN (35.4 mg/g), and ES-ZnO-PPY (39.8 mg/g) was attained in batch mode and a highest adsorption potential for ES-ZnO-PPY (15.5 mg/g) was obtained in column mode under optimum conditions. Desorption and recycling study showed successful reusability of the material up to five cycles. The sorption mechanism was explored via equilibrium and kinetic modeling showing better fitness of Langmuir sorption isotherm and pseudo-second-order kinetics. Thermodynamic modeling pointed out exothermic nature of the sorption process. Hence, the consequences put forwarded the green hybrid materials to be cheap, more efficient, and stable adsorbents to obtain highest dye removal. [ABSTRACT FROM AUTHOR]

Light sheet fluorescence microscopy (LSFM) is a transformative imaging method that enables the visualization of non-dissected specimen in real-time 3D. Optical clearing of tissues is essential for LSFM, typically employing toxic solvents. Here, we test the applicability of a non-hazardous alternative, ethyl cinnamate (ECi). We comprehensively characterized autofluorescence (AF) spectra in diverse murine tissues—ocular globe, knee, and liver—employing LSFM under various excitation wavelengths (405–785 nm) to test the feasibility of unstained samples for diagnostic purposes, in particular regarding percutaneous biopsies, as they constitute to most harvested type of tissue sample in clinical routine. Ocular globe structures were best discerned with 640 nm excitation. Knee tissue showed complex variation in AF spectra variation influenced by tissue depth and structure. Liver exhibited a unique AF pattern, likely linked to vasculature. Hepatic tissue samples were used to demonstrate the compatibility of our protocol for antibody staining. Furthermore, we employed machine learning to augment raw images and segment liver structures based on AF spectra. Radiologists rated representative samples transferred to the clinical assessment software. Learning-generated images scored highest in quality. Additionally, we investigated an actual murine biopsy. Our study pioneers the application of AF spectra for tissue characterization and diagnostic potential of optically cleared unstained percutaneous biopsies, contributing to the clinical translation of LSFM. [ABSTRACT FROM AUTHOR]

Throughout the reported applications of EGFR inhibitors, it is usually employed with HDAC or other targets to design multi-target inhibitors for cancer treatment. In this paper, we designed a drug conjugate that targeted EGFR&HER2 and had inhibitory activity of NAMPT simultaneously. Compound 20c significantly inhibited the EGFR&HER2 and NAMPT enzyme activities, and had comparable or even higher anti-proliferative activity than lapatinib in various cancer cells with over-expressed EGFR and HER2. Importantly, 20c was expected to increase sensitivity to EGFR inhibitor-resistant cells. In Osimertinib-resistant cells (NCI-1975 cells with the L858R/T790M/C797S triple mutation and Ba/F3 cells with the Del19/T790M/C797S triple mutation), the anti-proliferative activity of compound 20c was increased by more than twofold compared with Osimertinib, so as to obtain better curative effect. This strategy is a promising method of embedding multiple pharmacophores into a single molecule, which lays a good foundation for the design and synthesis of small molecule drug conjugates with strong targeting ability and high cytotoxicity. [ABSTRACT FROM AUTHOR]

[Display omitted] • A torsion angle of dibenzo[ g , p ]chrysene increased up to 57.4° with the aid of substituent effect. • Silole formations at the bay region of dibenzo[ g , p ]chrysene is achieved. • The non-planar pi-conjugation of dibenzo[ g , p ]chrysene is flexible within a range of 25.6°. Synthetic manipulation of the torsion angles in non-planar pi-conjugated dibenzo[ g , p ]chrysene (DBC) core was described. We prepared DBC scaffolds having four bromines at two bays , and found lithium-bromine exchange procedures enabled to create new DBC derivatives. Crystallographic analyses revealed the largest torsion angle of 57.4° in a tetra -sulfonyl-substituted DBC and the smallest torsion angle 31.8° in a bis-silicon-bridged DBC. With the aid of computational method, these results mean the skeletal fused-ring is flexibly movable within a range of 25.6°. This study provides us an intellectual basis for development of distortion-featured functional organic materials. [ABSTRACT FROM AUTHOR]