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We investigate attachment of slow electrons (0–10 eV) to naphthalene (Np) clusters in a crossed beam experiment. Supersonic expansions under different conditions using different buffer gases generate the clusters: in He, Ne, and low pressure Ar, neat (Np)N clusters are formed, while we also observe mixed clusters of naphthalene with rare-gas atoms in co-expansion with Ar above 0.5 bar and with Kr. Negatively charged (Np) n − and Rg m (Np) n − (Rg = Ar, Kr) clusters are analyzed by mass spectrometry, and electron energy dependent ion yields are measured. We show that the smallest stable naphthalene complex with an excess electron, the dimer (Np) 2 − anion, cannot be formed in a binary collision of a free electron with (Np)2 dimer, nor with (Np)3 trimer. Evaporation of a weakly bound Ar atom(s) from a mixed ArM(Np)2 cluster following electron attachment leads to the dimer (Np) 2 − anion. Larger (Np) n − , n > 3, transient cluster anions decay via evaporation of an Np unit on a timescale of tens of microseconds. The self-scavenging process opens around 6 eV, where a naphthalene unit is electronically excited by the incoming electron, which is slowed down and trapped. However, the transient negative ion is efficiently stabilized only in the mixed clusters, from which Ar atom(s) can be evaporated. [ABSTRACT FROM AUTHOR]

The CH stretch overtone region (5750–6300 cm−1) of benzene and naphthalene is assigned herein using anharmonic quantum chemical computations, and the trend of how this extends to larger polycyclic aromatic hydrocarbons (PAHs) is established. The assignment of all experimental bands to specific vibrational states is performed for the first time. Resonance polyads and the inclusion of 3-quanta vibrational states are both needed to compute accurate vibrational frequencies with the proper density-of-states to match the experimental band shape. Hundreds of 3-quanta states produce the observed band structure in naphthalene, anthracene, and tetracene, and this number is expected to increase drastically for larger PAHs. The width and shape of the main peak are consistent from naphthalene to anthracene, necessitating further exploration of this trend to confirm whether it is representative of all PAHs in the CH stretch overtone region. Understanding observations of PAH sources in the 1–3 μm region from the NIRSpec instrument aboard JWST requires new computational data, and this study provides a benchmark and foundation for their computation. [ABSTRACT FROM AUTHOR]

The reversible hydrogenation/dehydrogenation of aromatic molecules, known as liquid organic hydrogen carriers (LOHCs), is considered an attractive option for the safe storage and release of elemental hydrogen. The LOHC systems based on the alkoxy-naphthalene/alkoxy-decalin studied in this work can become potentially attractive from the point of view of the thermodynamic conditions of the reversible hydrogenation/dehydrogenation processes. This work reports the results of a complex experimental investigation of the thermochemical properties of the reactants of the LOHC systems. The enthalpies of formation were measured using high-precision combustion calorimetry, the enthalpies of vaporization and sublimation were derived from the vapor pressure–temperature dependencies measured using the transpiration method, and the melting temperatures and enthalpies of fusion were measured using the differential scanning calorimetry method. The liquid-phase enthalpies of formation of methoxy- and ethoxy-substituted naphthalenes and methoxy- and ethoxy-substituted decalins were derived and used for the thermodynamic analysis of hydrogenation/dehydrogenation reactions and transferhydrogenation reactions. [ABSTRACT FROM AUTHOR]

BackgroundA growing literature has reported associations between traffic-related air pollution and breast cancer, however there are fewer investigations into specific ambient agents and any putative risk of breast cancer development, particularly studies occurring in populations residing in higher pollution areas such as Los Angeles.ObjectivesTo estimate breast cancer risks related to ambient air toxics exposure at residential addresses.MethodsWe examined the relationships between ambient air toxics and breast cancer risk in the Multiethnic Cohort among 48,665 California female participants followed for cancer from 2003 through 2013. We obtained exposure data on chemicals acting as endocrine disruptors or mammary gland carcinogens from the National-Scale Air Toxics Assessment. Cox proportional hazards models were used to estimate breast cancer risk per one interquartile range (IQR) increase in air toxics exposure lagged by 5-years. Stratified analyses were conducted by race, ethnicity, and hormone receptor types.ResultsAmong all women, increased risks of invasive breast cancer were observed with toxicants related to industries [1,1,2,2-tetrachloroethane (hazard ratio [HR] = 4.22, 95% confidence interval [95% CI] 3.18-5.60), ethylene dichloride (HR = 2.81, 95% CI 2.20-3.59), and vinyl chloride (HR = 2.27, 95% CI 1.81, 2.85); these 3 agents were correlated (r2 = 0.45-0.77)]. Agents related to gasoline production or combustion were related to increased breast cancer risk [benzene (HR = 1.32, 95% CI 1.24, 1.41), ethylbenzene (HR = 1.20, 95% CI 1.13-1.28), toluene (HR = 1.29, 95% CI 1.20-1.38), naphthalene (HR = 1.11, 95% CI 1.02-2.22), acrolein (HR = 2.26, 95% CI 1.92, 2.65)]. Higher hazard ratios were observed in African Americans and Whites compared to other racial and ethnic groups (p-heterogeneity

Polycyclic aromatic hydrocarbons (PAHs) are highly toxic and carcinogenic compounds as they are low water solubility, hardly degradable and may persist in the environment for many years. Therefore, this study was directed to PAHs 'anthracene and naphthalene' removal using a combination method between adsorption and degradation using sunlight. Three adsorbent materials, iron oxide (Fe) alone, Sargassum dentifolium (S) alone, and mixture of Iron oxide and Sargassum dentifolium (FeS) were prepared. Afterwards, optimisation process was performed for the three adsorbent forms through some preliminary experiments followed by full factorial design experiment to get the optimum interacted factors that achieve high PAHs removal efficiency. Some characterisation analyses such as FT-IR, TEM, DLS, zeta potential, specific surface area, magnetisation analysis, isotherm and kinetics studies were performed. The full factorial design showed that, the highest anthracene removal efficiency of 99.15% was obtained at 50 ppm concentration, 3 h contact time by using 1 g/l Sargassum dentifolium, whereas the highest naphthalene removal efficiency of 93.05% was achieved after 4 h contact time at 50 ppm concentration by using 4 g/l Sargassum dentifolium. Moreover, 93.02% naphthalene removal efficiency was stated at 50 ppm concentration after 1 h contact time by using 1 g/l mixed form of Iron oxide/Sargassum dentifolium. [ABSTRACT FROM AUTHOR]

Background: Naphthalene is a polycyclic aromatic hydrocarbon, highly dangerous for human health. It is produced as a byproduct of incomplete combustion of organic material and is frequently present in the air. Biofilters offer an effective alternative for its treatment. The aim of this work was to study the treatment of naphthalene vapors through biofiltration using two biofilters: one inoculated with a consortium composed of Fusarium solani and Rhodococcus erythropolis (BF1), and the other inoculated with a consortium of microbial isolates obtained from a previous biofilter eliminating naphthalene vapors. Results: The results demonstrate that inoculating a biofilter with a reconstructed consortium of microbial isolates from a naphthalene vapor‐eliminating biofilter allowed a reduction of the startup time from 35 to 5 days, while maintaining a consistent removal capacity (6 g m−3 h−1, equivalent to 80% removal efficiency). It was also observed that the biofilter inoculated with the reconstructed consortium exhibited comparable robustness to a biofilter previously operated for 4 months with naphthalene, with a maximum removal capacity of 14 g m−3 h−1 for a naphthalene inlet load of 17 g m−3 h−1. The study of microbial communities indicates an increase in the bacterial variability, while fungal variability remains low, with Fusarium solani being predominant at 97%. Conclusions: Results obtained during the startup of both biofilters and by challenging biofilters to increasing naphthalene concentrations or decreasing empty bed residence time showed that startup time can be reduced sevenfold by selecting the microbial consortium. An equivalent performance, in the long run, was achieved for both biofilters. © 2024 Society of Chemical Industry (SCI). [ABSTRACT FROM AUTHOR]

Tf2NH‐mediated decarboxylative dearomatization reaction of benzonorcaradiene γ‐ketoacids, in situ generated by intramolecular alkenylation of alkynylcyclopropane γ‐ketoacids or their tert‐butyl esters, has been described for regioselective synthesis of polyfunctionalized 1‐acylmethyl‐4‐arylnaphthalenes. [ABSTRACT FROM AUTHOR]

We present the design of an anthracenyl–naphthyl (ANT‐NAPH) dyad and its application as a luminescent 4‐stage photo switch. Both segments can individually react with singlet oxygen to switch off an optical response. In their initial form the larger ANT component reacts significantly faster and thus an ANTO2‐NAPH stage is turned on, observed by optical response of the remaining NAPH. To reduce its reactivity, ANT is substituted with two pyridine rings. This concept is first investigated and quantified on ANT and NAPH as separated molecules. Upon protonation the reaction of ANT becomes significantly slower. For the three possible pyridyl isomers this effect increases along the order meta

A new naphthalene diimides extended‐pillar[6]arene 1 with a large cavity and rich host‐guest complexation properties was synthesized in high yield. It can not only form 1 : 2 complexes with large size polycyclic aromatic hydrocarbons but also form 1 : 1 : 1 ternary complex with perylene and 2,7‐diazapyrenium. Moreover, the supramolecular exchange reaction from a 1 : 2 host‐guest complex 1 ⋅ (G3)2 formed by 1 and perylene to a 1 : 1 : 1 ternary complex 1 ⋅ G3 ⋅ G5 formed by 1 with perylene and 2,7‐diazapyrenium salt was also investigated by 1H NMR experiments as well as theoretically calculations. [ABSTRACT FROM AUTHOR]

The persistent and hazardous nature of polycyclic aromatic hydrocarbons (PAHs) released into the soil has become a critical global concern, contributing to environmental pollution. In this study, the removal efficiency of phenanthrene and naphthalene degradation by complex flora or pure bacteria combined with corn and their effects on the growth of corn, pH, and the number of soil bacteria were investigated using a pot experiment. The results indicate that the corn remediation method (P) outperformed degrading bacteria remediation (B) for phenanthrene, yet the combination (PB) exhibited significantly higher removal efficiency. The degradation efficiency of PB methods increased over time, ranging from 58.40% to 75.13% after 30 days. Naphthalene removal showed a similar trend. Soil pH, influenced by remediation methods, experienced slight but non-significant increases. The number of degrading bacteria increased with combined methods, notably with PB-W1 and PB-W2 treatments. Corn accumulated phenanthrene and naphthalene, with higher concentrations in roots. Remediation by the combined corn and degrading bacteria slightly increased PAH accumulation, indicating potential root protection. Biomass yield analysis revealed the inhibitory effects of PAHs on corn growth, decreased by degrading bacteria. PB-W1 and PB-EF3 demonstrated the highest fresh weight and moisture content for stem and leaf biomass, while PB-F2-6 excelled in root biomass. Overall, combined remediation methods proved more effective, which underscores the potential of the corn and degrading bacteria consortium for efficient PAH remediation in contaminated soil. [ABSTRACT FROM AUTHOR]

Highly substituted naphthalene derivatives were prepared via palladium‐catalyzed reaction of 5‐(2‐bromophenyl)pent‐3‐en‐1‐ynes with arylboronic acids. Typically, reaction of 3‐bromo‐4‐(3‐(4‐chlorophenyl)‐5‐phenyl‐1‐(p‐tolyl)pent‐2‐en‐4‐yn‐1‐yl)‐N‐methylaniline (1a) with PhB(OH)2 in the presence of Pd(PPh3)4 as the catalyst under basic conditions provided 8‐benzhydryl‐7‐(4‐chlorophenyl)‐N‐methyl‐5‐(p‐tolyl)naphthalen‐2‐amine (2a) quantitatively. Overall, 19 new naphthalene compounds were obtained by this methodology and their structures were characterized by spectroscopic methods. In addition, crystal structure of 2j was determined to confirm the structural details. Reaction pathway leading to the desired product is also discussed. [ABSTRACT FROM AUTHOR]

To enhance the interfacial adhesion between poly(tetrafluoroethylene-co-hexafluoropropylene) (FEP) film and functional coatings, such as silver (Ag) coating, among others, the surface activation of FEP film has to be performed. Among various activation strategies, chemical activation, such as using naphthalene sodium system, is one of the most efficient methods. However, the effect of chemical activation on the interface interaction between the activated FEP and functional coating is rarely investigated. Herein, the FEP film was activated by naphthalene sodium solution under different conditions, and then the Ag layer was coated onto its surface by vacuum Ag deposition. Based on experimental results and density function theory (DFT) calculation, it is indicated that oxygen-containing functional groups (such as C=O and C–OH groups), introduced onto the surface of FEP by the chemical activation, play a key role in boosting the interface interaction, which is due to the strong interaction between the oxygen-containing functional groups and Ag atoms. In addition, the concentration of naphthalene sodium solution, activation time, and winding speed of Ag- deposition can have a significant impact on the microstructures of Ag coating and the interfacial adhesion between the activated FEP and Ag coating. Under the conditions of high concentration (0.9 M), medium activation time (15 min), and high winding speed (0.8 m min−1), there is the best interface adhesion. [ABSTRACT FROM AUTHOR]

Naphthalene, a common member of the polycyclic aromatic hydrocarbons (PAHs) found in various industrial applications, has garnered attention due to its genotoxic, mutagenic, and potentially carcinogenic effects on living organisms. Concerns have escalated regarding the widespread presence of naphthalene in the environment, its resistance to biodegradation, capacity for bioaccumulation, and associated adverse impacts. In response, numerous pilot treatment approaches have been explored to mitigate the economic consequences and prevent the degradation of soil and water quality resulting from naphthalene pollution. This study investigates the degradation of naphthalene using Kocuria rosea, a microorganism previously isolated from sawdust samples collected from a Sawmill in Ikenne, Ogun State, Southwestern Nigeria. Kocuria rosea was cultivated in nutrient broth (NB) for 24 h, and its growth was quantified through UV–Visible spectrophotometric analysis. The phytotoxicity of both untreated and treated naphthalene solutions was assessed by measuring their impact on the germination of Zea mays (corn) seeds. Furthermore, biodegradation of naphthalene was confirmed by analyzing FT-IR spectra. The results indicate that naphthalene exhibits phytotoxic effects on Z. mays germination, whereas treatment with the Kocuria rosea solution substantially increased the germination rate from 13.3 % to 46.67 %. FT-IR analysis reveals that Kocuria rosea effectively degrades naphthalene, as evidenced by the disappearance of characteristic peaks at 3049.56, 1593.25, 958.65, and 781.2. In conclusion, Kocuria rosea, isolated from a Sawmill in Ikenne, demonstrates significant potential for the bioremediation of naphthalene, offering promise as an environmentally friendly and cost-effective approach for mitigating naphthalene pollution. [ABSTRACT FROM AUTHOR]

With excellent biocompatibility, a narrow bandgap, and long thermal carrier lifetime, tin‐based perovskite solar cells (TPSCs) are promising within the solar technology. The fullerene derivative indene‐C60 bisadduct (ICBA) is recognized as the most efficient electron‐transport material for TPSCs, thanks to its suitable band structure. Nevertheless, the limited electron transport capability and susceptibility to moisture penetration of ICBA have hindered the progress of TPSCs. Herein, the study proposes a new hydrophobic electron‐transport layer (ETL) comprising a surface‐anchored non‐fullerene n‐type semiconducting polymer layer, poly (naphthalene diimide‐alt‐dithiophenebezothiadiazole) (PNDI‐BT), in conjunction with ICBA. PNDI‐BT exhibits high electron mobilities, a fitting band structure, robust interaction with Sn‐based perovskites, and exceptional moisture resistance, effectively addressing the shortcomings of ICBA. Consequently, this innovative hydrophobic ETL of PNDI‐BT/ICBA enhances electron transport and protects Sn‐based perovskites from moisture. As a result, the inverted TPSCs with the new hydrophobic ETL achieve an impressive efficiency of 13.90%, surpassing TPSCs with the ICBA layer (12.75%). Moreover, even after 1000 h of storage in ambient atmosphere, the encapsulated TPSC maintains a remarkable 81% of its initial efficiency. This comprehensive study seamlessly integrates the synthesis of non‐fullerene n‐type semiconducting polymer and device fabrication, providing valuable insights into designing cutting‐edge ETL structure for inverted TPSCs. [ABSTRACT FROM AUTHOR]

The preparation of three metal (Ag(I) and Hg(II)) complexes based on bis‐carbene ligands and correlative three precursors H2Ln·(PF6)2 (n = 1–3) were reported. In each cationic moiety of complexes 1 and 2 and the monomer of complex 3, two Ag+ (or Hg2+) ions and two Ln (n = 1–3) formed one 36‐membered macrometallocycle. There existed π–π interactions between two naphthalenes in each cationic moiety of 1 and 2. The monomers of 3 were connected together through HgO bonds to form 1D chain. In the crystal packings of 1–3, two‐dimensional and three‐dimensional supramolecular structures were formed through CH˙˙˙π contacts and CH˙˙˙F H bonds. Additionally, the recognition capacity of 1 for H2PO4− was studied via fluorescence spectra, UV/Vis spectra, HRMS, 1H NMR titrations, and infrared (IR) spectra. [ABSTRACT FROM AUTHOR]

The micellar solubilization of naphthalene from its saturated aqueous solutions using the biosurfactant rhamnolipid was studied. Using the NMR diffusion method, selective measurements of the self‐diffusion coefficients of molecules of all components of the solution—naphthalene, rhamnolipid, and water—were carried out at various rhamnolipid concentrations from 0.06 to 100 g/L. Based on the results of diffusometry, the distribution of naphthalene molecules between the states free in solution and states bound by micelles was found. With an increase in the concentration of rhamnolipids, the proportion of bound naphthalene molecules increases from 50% at CRL = 2 g/L to 100% at CRL ≥ 50 g/L. The micelle‐water partition coefficient Km and the molar solubilization ratio MSR were calculated. [ABSTRACT FROM AUTHOR]

The adsorption attributes of methyl naphthalene and naphthalene molecules on P-Germanane sheets are explored based on the density functional theory method. The novel P-Germanane stability is established based on formation energy and phonon band spectrum. The stable P-Germanane exhibits a band gap of 3.944 eV. The calculated adsorption energy infers that methyl naphthalene and naphthalene are physisorbed on P-Germanane sheets. The charge transfer reveals that P-Germanane sheets behave as donors of electrons and target molecules behave as acceptors. The electronic attributes of P-Germanane sheets get altered owing to methyl naphthalene and naphthalene adsorption inferred from the band structure, PDOS spectrum, and electron density difference diagrams. We identified global minima position upon adsorption of 1-methylnaphthalene, and naphthalene on P-Germanane, which are named as bridge, octal, and tetra sites and adsorption attributes are explored in these sites. The adsorption energy and relative energy gap variation are noticed to be maximum for tetra site orientation of naphthalene on P-Germanane. The outcome exposes that P-Germanane sheets can be used as adsorption substrates for the detection of methyl naphthalene and naphthalene molecules. [ABSTRACT FROM AUTHOR]

Background There is growing concern of the potential damage to vital organs after long term exposure to locally formulated pesticides in rural area of Nigeria. This study was designed to assessed the effects of the individual chemical compound and their combination on the kidney and liver of rats' model. Methodology Fifty-four rats divided into six groups and three sub-groups were exposed to 25, 50 and 75% dose of each of the pesticide's LD50 for 4 h at 3 days interval in an inhalation chamber for 28 days. Alanine aminotransferase (ALT), aspartate aminotransferase (AST), alkaline phosphatase (ALP), total bilirubin (TOT_BIL), creatinine and urea assay showed significant increase at the aforementioned doses in comparison to the control group. The red blood cell counts, hematocrit and hemoglobin concentrations were significantly altered in the rats administered varying doses of the pesticides when compared with the control. Similar result was obtained for the differential white blood cell counts. Histopathological examinations of the liver tissue of rats showed infiltrated sinusoids, traces of karypyknosis, vacuolar degeneration and microvesicular steatosis while that of the renal tissue showed glomeruli atrophy leading to widened Bowman's spaces as well as few shrunken glomeruli and varied level of degenerative tubular changes to tubular necrosis. Conclusion This study established that individual pesticides and their mixture is toxic to the liver and kidney, as evidenced by the elevated markers of renal and liver functions and distortion of the structure of both organs as revealed by their photomicrographs. Therefore, it is a matter of public health significance to regularly monitor pesticide residues in foods and humans in order to assess the food safety risk and population exposure to pesticides. [ABSTRACT FROM AUTHOR]

Naphthalene and azulene are isomeric polycyclic aromatic hydrocarbons (PAHs) and are topical in the context of astrochemistry due to the recent discovery of substituted naphthalenes in the Taurus Molecular Cloud-1 (TMC-1). Here, the thermal- and photo-induced isomerization, dissociation, and radiative cooling dynamics of energized (vibrationally hot) naphthalene (Np+) and azulene (Az+) radical cations, occurring over the microsecond to seconds timescale, are investigated using a cryogenic electrostatic ion storage ring, affording "molecular cloud in a box" conditions. Measurement of the cooling dynamics and kinetic energy release distributions for neutrals formed through dissociation, until several seconds after hot ion formation, are consistent with the establishment of a rapid (sub-microsecond) Np+ ⇌ Az+ quasi-equilibrium. Consequently, dissociation by C2H2-elimination proceeds predominantly through common Az+ decomposition pathways. Simulation of the isomerization, dissociation, recurrent fluorescence, and infrared cooling dynamics using a coupled master equation combined with high-level potential energy surface calculations [CCSD(T)/cc-pVTZ], reproduce the trends in the measurements. The data show that radiative cooling via recurrent fluorescence, predominately through the Np+ D0 ← D2 transition, efficiently quenches dissociation for vibrational energies up to ≈1 eV above dissociation thresholds. Our measurements support the suggestion that small cations, such as naphthalene, may be more abundant in space than previously thought. The strategy presented in this work could be extended to fingerprint the cooling dynamics of other PAH ions for which isomerization is predicted to precede dissociation. [ABSTRACT FROM AUTHOR]

Naphthalene (NA), a polycyclic aromatic hydrocarbon, is an environmental pollutant from different sources exhibiting toxicities via free radical generation. However, NA has been used in the industry as surfactants, solvents, resins, and in medicine – as an anti-viral, anti-bacterial, and antiinflammatory drug. Malondialdehyde (MDA), a by-product in lipid peroxidation and prostaglandin synthesis, is a biomarker in lipid peroxidation evaluation and cyclooxygenase (COX) and lipoxygenase (LOX) activities assessment via inhibition.

Fuel oil is widely used within Eskom, a power generation company in South Africa. Eskom's coal-fired power stations use up to 30,000 L of fuel oil per hour during a cold start-up, a consequence of which results in oil leaks to the dams. Oil contamination in water treatment plants causes irreversible membrane fouling, requiring costly replacement. This research work focused on the development of a rapid method for the identification of low concentrations of the water-soluble oil component fraction of crude fuel oil. For the developed method, known volumes of the water-soluble fraction of crude oil were spiked into various matrices of process water. FEEMs were collected using the patented HORIBA Aqualog spectrometer and data were modelled with PARAFAC. The results were well described with a four-component model, which included an oil component and three natural organic matter components, with a split-half validation match of 90%. The oil component was verified using linear regression of the PARAFAC component scores yielding an R2 value of 0.98. From the scores, a qualitative pass/fail test was developed such that process water can be analysed and subjected to the model to indicate the presence of oil contamination beyond a damaging threshold. HIGHLIGHTS Development of model using FEEM and PARAFAC for identification of low concentration (ppb) of oil contamination in process water.; PARAFAC Split-Half model for verification of the developed oil identification model was 90%.;

Abstract Exposure of firefighting instructors to polycyclic aromatic hydrocarbons (PAHs) such as naphthalene is unavoidable during live fire training. The study aimed to investigate naphthalene uptake by measuring the urinary excretion of the naphthalene metabolite 1,2-dihydroxynaphthalene (DHN), to describe the DHN elimination kinetics and to evaluate the results by comparison to further biomarkers of PAH exposure. N = 6 male non-smoking firefighting instructors completed five training sessions each in a residential fire simulation unit under respiratory protection. All participants provided two urine samples before and another seven samples within an 18-h-interval after each session. DHN was detected by gas chromatography/tandem mass spectrometry (GC–MS/MS) in all samples (n = 237) with median concentrations ranging from 3.3 µg/g crea. (range 0.9–10.2) before exposure to 134.2 µg/g crea. (43.4–380.4) post exposure. Maximum elimination found 3.3 h (median) after onset of exposure decreased with a mean half-life of 6.6 h to 27.1 µg/g crea. (15.7–139.5) 18 h after training. DHN sensitively indicated a presumed dermal naphthalene intake during training, showing similar elimination kinetics like other naphthalene metabolites. Internal exposure of the participants transiently exceeded exposures determined for non-smokers in the general population, but was lower than at other workplaces with PAH exposure. Despite limited uptake, accumulation is possible with daily exposure.

The pursuit of innovative organic materials and the examination of the “structure‐function” correlation in lithium‐ion batteries (LIBs) are crucial and highly desirable. Current research focuses on the creation of novel conjugated organic polymers with polycarbonyl groups and examining the impact of electrode structure on the function of lithium‐ion batteries. In this paper, two novel cyanovinylene‐based conjugated organic polymers, NBA‐TFB and NBA‐TFPB, are synthesized using a Knoevenagel condensation reaction with naphthalene diimide as the integral unit. The performance of NBA‐TFB and NBA‐TFPB as cathodes in lithium‐ion batteries is investigated. Improved conductivity and increased active site density in NBA‐TFPB resulted in superior electrochemistry compared to NBA‐TFB. Specifically, NBA‐TFPB exhibited a larger reversible capacity (87.58 mAh g−1 at 0.2C and 88.34% retention after 100 cycles), exceptional rate capability (66.13 mAh g−1 at 5C), and robust cycling stability (99.58% coulombic efficiency at 1C and 60.71% retention after 2000 cycles). This study expands the family of diimide‐based naphthalene polymers and provides a strategy for enhancing the performance of organic electrode materials containing polycarbonyl structure. [ABSTRACT FROM AUTHOR]

We report the discovery in TMC-1 of two cyano derivatives of the PAH acenaphthylene (C12H8). We have found two series of lines with the QUIJOTE line survey that we assign to 1-C12H7CN and 5-C12H7CN. For the 1-isomer, we have detected and assigned 173 rotational transitions with J up to 46 and Ka up to 9, corresponding to 107 independent frequencies. For the 5-isomer, the identification is based on 56 individual lines, corresponding to 117 rotational transitions with J up to 40 and Ka up to 8. Identification of the carriers was achieved through a careful analysis of the derived rotational constants, which permit us to focus on molecules larger than naphthalene but smaller than anthracene and phenanthrene. Moreover, the derived rotational constants indicate that the species are planar; this allows us to discard derivatives of fluorene and acenaphthene, which are non-planar species. Quantum chemical calculations and subsequent chemical synthesis of these molecules, as well as the observation of their rotational transitions in the laboratory, unequivocally support our identifications. We also confirm, via a robust line-by-line detection, the previous claimed detection of 1- and 2-cyanonaphthalene, which were obtained through statistical stacking techniques. The column densities of 1- and 5-cyanoacenaphthylene are (9.5 ± 0.9) × 1011 cm−2, while those of 1- and 2-cyanonapthalene are (5.5 ± 0.5) × 1011 cm−2. Hence, it seems that acenaphthylene could be a factor of 1.7 more abundant than naphthalene. These results support a scenario in which PAHs grow in cold dark clouds based on fused five- and six-membered carbon rings. [ABSTRACT FROM AUTHOR]

Naphthalene diimides (NDI) are widely serving as the skeleton to construct electron transport materials (ETMs) for optoelectronic devices. However, most of the reported NDI‐based ETMs suffer from poor interfaces with the perovskite which deteriorates the carrier extraction and device stability. Here, a representative design concept for editing the peripheral groups of NDI molecules to achieve multifunctional properties is introduced. The resulting molecule 2,7‐bis(2,2,3,3,4,4,4‐heptafluorobutyl)benzo[lmn][3,8]phenanthroline‐1,3,6,8(2H,7H)‐tetraone (NDI‐C4F) incorporated with hydrophobic fluorine units contributes to the prevention of excessive molecular aggregation, the improvement of surface wettability and the formation of strong chemical coordination with perovskite precursors. All these features favor retarding the perovskite crystallization and achieving superior buried interfaces, which subsequently promote charge collection and improve the structural compatibility between perovskite and ETMs. The corresponding PSCs based on low‐temperature processed NDI‐C4F yield a record efficiency of 23.21%, which is the highest reported value for organic ETMs in n‐i‐p PSCs. More encouragingly, the unencapsulated devices with NDI‐C4F demonstrate extraordinary stability by retaining over 90% of their initial PCEs after 2600 h in air. This work provides an alternative molecular strategy to engineer the buried interfaces and can trigger further development of organic ETMs toward reliable PSCs. [ABSTRACT FROM AUTHOR]

In this work, naphthalenediimide (NDI) derivatives are widely studied for their semiconducting properties and the influence of the side-chain length on the crystal packing is reported, along with the thermal properties of three core-chlorinated NDIs with different fluoroalkyl side-chain lengths (CF3-NDI, C3F7-NDI and C4F9-NDI). The introduction of fluorinated substituents at the imide nitrogen and addition of strong electron-withdrawing groups at the NDI core are used to improve the NDI derivatives air stability. The new compound, CF3-NDI, was deeply analyzed and compared to the well-known C3F7-NDI and C4F9-NDI, leading to the discovery and solution of two different crystal phases, form α and solvate form, and a solid solution of CF3-NDI and CF3-NDI-OH, formed by the decomposition in DMSO. [ABSTRACT FROM AUTHOR]

Silole- and phosphole-containing polycyclic aromatic compounds have attracted significant attention in the field of organic functional materials. The structure of the aromatic units has great impact on the photophysical properties of the resulting silole- and phosphole-containing polycyclic aromatic compounds. Here, dibenzo-fused naphtho[2,3-b:6,7-b′]disilole (NDS) and naphtho[2,3-b:6,7-b′]diphosphole (NDP), where a naphthalene unit is arranged between two silole and phosphole units, respectively, were designed and synthesized. The solid-state structures of them were confirmed by X-ray crystallographic analysis. The photophysical properties were evaluated by UV−vis absorption and photoluminescence spectroscopies and compared with those of their related compounds, such as dibenzo-fused silolo[3,2-b]silole and benzo[1,2-b:4,5-b′]disilole, ever reported. The longest wavelength absorption band of a series of silole-fused compounds was found to be red-shifted in the order benzo[1,2-b:4,5-b′]disilole < NDS < silolo[3,2-b]silole derivatives. For a series of phosphole-fused compounds, π-extension from phospholo[3,2-b]phosphole to NDP derivatives induces the lower absorption coefficient of the longest wavelength absorption band and the red-shift of the second longest wavelength absorption band. Both NDS and NDP exhibit much lower fluorescence quantum yields than their related compounds. [ABSTRACT FROM AUTHOR]

The synthesis of charge assisted amidinium...phosphonate hydrogen-bonded organic frameworks (HOFs) is reported. Two tectons, with either a biphenyl or naphthalene diimide backbone, were combined with bis-amidinium salts to afford HOF1 and HOF2, respectively. Whereas HOF1 formed rapidly, typically within two days of mixing, HOF2 proved more challenging to synthesise. Interestingly, the presence of sunlight facilitated the rapid formation of HOF2 within a few hours. Although crystals of tectons 1H4 or 2Et4 exhibited densely packed structures, combination of the corresponding phosphonate bases with bisamidinium cations, through amidinium...phosphonate interactions, gave open framework materials. The HOFs formed through this approach exhibited notable stability limitations, including a propensity for phase transformations or structural collapse upon solvent removal. [ABSTRACT FROM AUTHOR]

Tungsten carbides are important materials used in ceramic cements, machining tools, catalysts, sensors, and for hydrogen generation. Bulk W–C structures are highly complex; fundamental fully carburized WC and semi-carburized W 2 C are accompanied by structural transitions depending on the composition and temperature. The relationship between the structures, compositions, and temperatures is summarized in the W–C phase diagram. However, the high-temperature, stable, and single-crystalline nanoparticles related to the WC 1-x and W 2 C phases formed via energetic reactions accompanied by rapid cooling rates are not easy to determine considering the bulk phase diagram, and lead to fundamental questions regarding the origin of the nanophases. In this study, we propose a draft for the W–C nanophase diagram composed of the surface and gas-phase WC, WC 1-x , and W 2 C nanophases according to the composition and temperature. The model undergoes the process of a vapor–nanoliquid–nanophase starting from the gas-phase nucleation induced by an extremely high-temperature electrical explosion. In addition, the high-temperature reactivity and quenched nanophase, including its unique nanostructure, are related to the post-melt rheology, physical morphology, and steric hindrance of the solid matrix during an electrical explosion. [ABSTRACT FROM AUTHOR]

Extensive efforts have been dedicated towards designing new organic materials that display solid-state fluorescence and possess optical activity, thereby leading to the fabrication of materials emitting circularly polarized light. Existing organic materials usually suffer from two limitations, a low dissymmetry factor (glum) and weak or no fluorescence in the solid state. Herein, we have demonstrated a naphthalene imide-based dyad system that remains fluorescent even in powder form and displays circularly polarized luminescence in its aggregated and solid state with significantly high glum values. [ABSTRACT FROM AUTHOR]

Naphthalene, an aromatic hydrocarbon prevalent in mothballs and deodorizers, poses significant health risks upon exposure, primarily through ingestion or dermal absorption. Herein, we report the case of a previously healthy 28-year-old male who presented with hemolysis, methemoglobinemia, and acute renal failure. The patient had a history of ingestion of mothballs, mistaking them for candy, prompting consideration of naphthalene intoxication as the clinical diagnosis, which was subsequently confirmed by laboratory findings. Given concurrent hepatic dysfunction and a diagnosis of glucose-6-phosphate dehydrogenase (G6PD) deficiency, N-acetyl cysteine was administered instead of methylene blue. The patient's condition improved after he was managed with aggressive fluid resuscitation, noninvasive ventilation, blood transfusions, and hemodialysis. Naphthalene ingestion can result in hemolysis, methemoglobinemia, and acute kidney injury, with heightened susceptibility observed in patients with G6PD deficiency. [ABSTRACT FROM AUTHOR]

We recently introduced calix[n]naphth[m]arenes as a novel class of deep-cavity hybrid macrocycles constituted by phenol (n) and naphthalene (m) units. In this study, we report the synthesis, conformational analysis, spectroscopic properties, and solid-state structures of calix[4]naphth[4]arene (C4N4) and its permethylated analog (C4N4-Me), thereby expanding the calix[n]naphth[m]arene family. C4N4 was synthesized through a 2 + 2 fragment coupling macrocyclization under acidic conditions, where the solvent played a crucial role in selectively forming the C4N4 derivative. The X-ray structure of C4N4 reveals a chair-like 1,2,3,4-alternate conformation characterized by two opposing 3/4-cone moieties stabilized by intramolecular hydrogen bonds. In contrast, the X-ray structure of C4N4-Me exhibits a 1,3,5,7-alternate conformation. [ABSTRACT FROM AUTHOR]

The heavy oil from the Mordovo–Karmalskoye oil field is cracked in the presence of silica-alumina Al-Si catalyst and Al-Si catalyst modified with NiCrWC. The composition of saturated and aromatic compounds before and after catalytic cracking is studied. It is shown that in the presence of a modified NiCrWC/Al-Si catalyst, the destruction reactions resin-asphaltene components proceed more intensively than during cracking in the presence of Al-Si. Transformations of hydrocarbons during cracking of heavy oil in the presence of NiCrWC/Al-Si catalyst are more intensive as evidenced by the predominance of low-molecular homologues of normal and iso-structure alkanes over high-molecular ones and increased contents of C7–C10 alkylbenzenes, unsubstituted naphthalene, and methylnaphthalenes. This catalyst contributes to the complete decomposition of high-molecular cyclanes, mono- and trinaphthenoarenes. It has been shown that NiCrWC/Al-Si catalyst the formation of a larger amount of low-molecular-weight n-alkanes compared to high-molecular ones. [ABSTRACT FROM AUTHOR]

Functionalization of Si‐bound methyl group provides an efficient access to diverse organosilanes. However, the asymmetric construction of silicon‐stereogenic architectures by functionalization of Si‐bound methyl group has not yet been described despite recent significant progress in producing chiral silicon. Herein, we disclosed the enantioselective silylmethyl functionalization involving the aryl to alkyl 1,5‐palladium migration to access diverse naphthalenes possessing an enantioenriched stereogenic silicon center, which are inaccessible before. It is worthy to note that the realization of asymmetric induction at the step of metal migration itself remains challenging. Our study constitutes the first enantioselective aryl to alkyl 1,5‐palladium migration reaction. The key to the success is the discovery and fine‐tuning of the different substituents of α,α,α,α‐tetraaryl‐1,3‐dioxolane‐4,5‐dimethanol (TADDOL)‐based phosphoramidites, which ensure the enantioselectivity and desired reactivity. [ABSTRACT FROM AUTHOR]

Bacteria indigenous to oil-contaminated water exhibited diverse metabolic capabilities in degrading various aromatic and monoaromatic hydrocarbons. Out of the 28 bacterial strains isolated from the wastewater, each was cultivated with at least one hydrocarbon, including kerosene, naphthalene, toluene, diesel, or aniline. Among these strains, Pseudomonas putida AD-128 emerged as one of the most effective polyaromatic hydrocarbon (PAH) degraders. Following a 6-day treatment period, strain P. putida AD-128 demonstrated proficiency in degrading various PAHs, including naphthalene, phenanthrene, and fluorine. After 6 days of incubation at 20 °C, the degradation of Naphthalene (NAP) notably increased. Gas Chromatography Mass Spectrometry analysis identified the degraded compounds, including pyruvic acid, salicylaldehyde, D-gluconic acid, and catechol. Optimal NAP degradation was observed at 20 °C and pH 6.0, with increased agitation speed correlating with enhanced bacterial growth and heightened degradation, particularly evident after 6 days at 20 °C. Peptone emerged as the most effective among the four nitrogen supplements (ammonium sulfate, potassium nitrate, beef extract, and peptone), significantly reducing residual naphthalene in the medium. The isolated indigenous bacterium, P. putida AD-128, exhibits robust capabilities in degrading PAHs under optimized conditions, making it a valuable asset for environmental management initiatives. [ABSTRACT FROM AUTHOR]

Allyl ether naphthol resin (ANPF) was synthesized by introducing 1,5‐dihydroxynaphthalene and 2,7‐dihydroxynaphthalene into phenolic resin and was copolymerized with 4,4′‐bismaleimidodiphenylmethane resin (BDM) to obtain allyl ether naphthol‐modified bismaleimide resins (15‐ANPF‐BDM and 27‐ANPF‐BDM). The resulting thermal stability and glass transition temperature (Tg) were explored by thermogravimetric and dynamic mechanical analyses. The char yield of 15‐ANPF‐BDM at a temperature of 800°C was 46.0%. Additionally, the Tg of 15‐ANPF‐BDM was measured as 311°C, which is an increase of 44°C compared to that of c. The mechanical properties of the ANPF‐BDM/quartz fiber (Qf) composites were also investigated. The results reveal that ANPF‐BDM/Qf composites exhibit similar mechanical strength to APF‐BDM/Qf composites at room temperature. In addition, the mechanical properties of the ANPF‐BDM/ Qf composites demonstrated significant improvement in mechanical properties retained significantly improved at 200°C, with a 68% flexural strength retention and a 96% interlaminar shear retention of 15‐ANPF‐BDM/Qf composites. Thus, ANPF‐BDM/Qf composites exhibit outstanding mechanical properties at 200°C. [ABSTRACT FROM AUTHOR]

Bioremediation is a promising technique owing to its effectiveness, low cost, and environmental friendliness. Previous studies have focused on the degradation efficiency of polycyclic aromatic hydrocarbons (PAHs) in soil and water. However, the expression of PAH-catabolic genes in organisms involved in the degradation process has been rarely and unsystematically reported. In this study, a PAH-degrading strain—Pseudomonas aeruginosa (PQ249631)—was successfully isolated from coking-contaminated soil and used for PAH degradation in soil and water. Furthermore, the degradation of PAHs (naphthalene, fluorene, phenanthrene, anthracene, and pyrene) was investigated in single, binary, and mixture systems to explore the interaction of substrates. The results showed that when naphthalene was used as a cometabolite carbon source, the removal rates of fluorene, phenanthrene, anthracene, and pyrene increased from 14.33%, 17.25%, 6.61%, and 4.47% to 72.08%, 100.00%, 15.63%, and 6.63%, respectively. In a PAH mixture, the degradation rate of each PAH was higher when naphthalene, rather than glucose, was used as the cometabolite carbon source. Transcriptome analysis revealed significant differential expression of PAH-catabolic genes and ATP-binding cassette transporter-related genes under naphthalene stress. The enhanced degradation of PAHs could be attributed to the augmentation of the PAH metabolic pathway and membrane transportation, facilitating the transfer of PAHs to bacteria. These findings underscore the effectiveness of P. aeruginosa as a PAH degrader and provide molecular insights into enhancing PAH degradation. [ABSTRACT FROM AUTHOR]

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The inefficient storage hydrogen is the bottleneck that restricts the large-scale application of green hydrogen energy. Compared with the existing hydrogen storage technologies, naphthalene-decalin organic liquid hydrogen storage, as a highly promising hydrogen storage technology, is expected to provide a new and efficient solution for future energy storage and utilization. The naphthalene-decalin hydrogen storage system can enhance the hydrogen storage capacity of organic liquids, improve the hydrogenation/dehydrogenation cycle and increase economic efficiency. The research progress on naphthalene-decalin organic liquid hydrogen storage technology was reviewed, and the mechanisms of naphthalene hydrogenation and decalin dehydrogenation were analyzed, and the structures of catalysts, processes and technical economy of naphthalene hydrogenation and decalin dehydrogenation were discussed, and the main challenges of naphthalene-decalin organic liquid hydrogen storage technology were summarized. Starting from the key points of demand, through in-depth exploration of the mechanism of decalin dehydrogenation, highly efficient catalysts from the atomic point of view are designed and structures of catalyst surface are constructed to improve the efficiency of decalin dehydrogenation and promote the commercialization of naphthalene-decalin organic liquid hydrogen storage technology. [ABSTRACT FROM AUTHOR]

The elimination of tar impurities from biomass gasification by catalytic steam reforming can provide clean syngas for downstream biofuel synthesis (Fischer–Tropsch). The effects of key operating parameters in CH4/tar steam reforming were investigated. Ni-Co/Mg(Al)O catalyst performance was tested at model conditions (10/35/25/25/5 wt% CH4/H2/CO/CO2/N2), changing the temperature (650–800 °C), steam-to-carbon ratio (2–5), tar loading (10–30 g/Nm3), and tar composition (toluene, 1-methylenaphthalene, and phenol). Complete tar elimination was achieved under all conditions, at the expense of catalyst deactivation by coke formation. Post-operation coke characterization was obtained with TPO-MS, Raman spectroscopy, and STEM analysis, providing vital insight into coke morphology and location. Critical low-temperature and high-tar loading limits were identified, where rapid deactivation was accompanied by increasing amounts of hard coke species. A coke classification scheme is proposed, including strongly adsorbed surface carbon species (soft coke A), initial scattered carbon filaments (hard coke B1.1), filament clusters and fused filaments (B2), and strongly deactivating bulk encapsulating coke (B3), formed through progressive filament cluster graphitization. High-molecular-weight tar was found to enhance the formation of strongly deactivating metal-particle-encapsulating coke (B1.2). The results contribute to the understanding of coke formation in the presence of biomass gasification tar impurities. [ABSTRACT FROM AUTHOR]

It is crucial to develop an acid‐free, mild, and efficient strategy for preparing 1,5‐dinitronaphthalene (1,5‐DNN) from naphthalene (NT). This work presented a one‐step NT nitration method using NO2 conjugated to an O2‐Ac2O system over Fe‐/Cu‐modified S2O82−/ZrO2 catalyst (Sα2FβCγZ). The effects of different nitration systems and Fe‐/Cu‐modified ZrO2 with various sulphur sources on NT nitration have been studied. Under optimal conditions, 99.5% of the NT conversion with 56.9% selectivity to 1,5‐DNN was obtained. Synergistic catalysis between the strong acid site and the current nitration system remarkably improved the 1,5‐DNN selectivity. The characterization results demonstrated that the appropriate Fe/Cu metals loadings combined with the covalent persulphates promoted the formation of more active tetragonal ZrO2. Chemical bonding of Zr4+ with S2O82− species allowed S6+ more electrons to withdraw than in SO42− species, which led to stronger acidity and better catalytic activity in the Sα2FβCγZ catalyst. Moreover, a plausible catalytic nitration reaction mechanism was proposed. The findings revealed that mild reaction conditions, combined with a solid superacid catalyst and NO2‐O2‐Ac2O system, offer significant advantages in reducing acid wastewater discharge and increasing target product selectivity. [ABSTRACT FROM AUTHOR]

Persulfate-based advanced oxidation processes (PS-AOPs) have emerged as a highly promising approach for remediating organic-contaminated soil. However, the substantial cost associated with the large injection volume of persulfate and the potential ecological risks arising from sulfate accumulation in the post-remediated soil have hindered the widespread application of this technology. To address these challenges, this study proposed a novel and environmental-friendly approach based on the reversible regeneration of ammonium persulfate (APS) through electrochemical synthesis, with the aim of realizing cyclic utilization of APS. Through our in-depth investigation, we have scrutinized the performance and kinetic behaviors of Fe2+-APS in the remediation of organic-contaminated soil, utilizing NAP as the target. By identifying the decisive factors for electrochemical regeneration of APS, we have also unraveled the underlying mechanisms governing the electrochemical synthesis of APS. Experimental results demonstrate an impressive degradation rate of 76.39% of naphthalene (NAP) in contaminated soil through Fe2+-APS remediation with the optimal parameter (voltage of 8 V, flow velocity of 10 mL/min, ammonium sulfate concentration of 3 M). Moreover, our dynamic electrochemical devices significantly outperform the static setup in terms of regeneration of APS, with the concentration and current efficiency achieving 75 and 20 times higher, respectively. Notably, the NAP degradation rate in the soil remains at a commendable 75% even after five cycles, thereby validating the practicality and efficacy of this approach. This innovative approach provides both theoretical and practical foundations to advance the development and adoption of persulfate-based technologies in soil remediation efforts. [ABSTRACT FROM AUTHOR]

While metal‐organic frameworks (MOFs) and covalent organic frameworks (COFs) have been widely investigated as porous conductive materials, the research on the electrical properties of HOF materials has been limited. Moreover, the electrical conductivity of HOF materials is typically several orders of magnitude lower than that of MOFs and COFs. In this work, a HOF material based on naphthalene diimide is designed and achieved a remarkable electrical conductivity of 2.9 × 10−2 S cm−1 after hydrazine doping, which represents the highest value reported in the HOF system to date. In addition, this material exhibits a reversible change of its electrical conductivity under exposure to ammonia which is promising for gas‐sensor applications. The demonstration reveals a new dimension of HOFs as conductive materials and opens up possibilities for new HOF‐based devices. [ABSTRACT FROM AUTHOR]

From microbes to humans, organisms perform numerous tasks for their survival, including food acquisition, migration, and reproduction. A complex biological task can be performed by either an autonomous organism or by cooperation among several specialized organisms. However, it remains unclear how autonomy and cooperation evolutionarily switch. Specifically, it remains unclear whether and how cooperative specialists can repair deleted genes through direct genetic exchange, thereby regaining metabolic autonomy. Here, we address this question by experimentally evolving a mutualistic microbial consortium composed of two specialists that cooperatively degrade naphthalene. We observed that autonomous genotypes capable of performing the entire naphthalene degradation pathway evolved from two cooperative specialists and dominated the community. This evolutionary transition was driven by the horizontal gene transfer (HGT) between the two specialists. However, this evolution was exclusively observed in the fluctuating environment alternately supplied with naphthalene and pyruvate, where mutualism and competition between the two specialists alternated. The naphthalene-supplied environment exerted selective pressure that favors the expansion of autonomous genotypes. The pyruvate-supplied environment promoted the coexistence and cell density of the cooperative specialists, thereby increasing the likelihood of HGT. Using a mathematical model, we quantitatively demonstrate that environmental fluctuations facilitate the evolution of autonomy through HGT when the relative growth rate and carrying capacity of the cooperative specialists allow enhanced coexistence and higher cell density in the competitive environment. Together, our results demonstrate that cooperative specialists can repair deleted genes through a direct genetic exchange under specific conditions, thereby regaining metabolic autonomy. [ABSTRACT FROM AUTHOR]

Tetra‐cyano substituted naphthalene diimides (TCNDIs) with calculated LUMO of −5.2 eV, form one of the strongest electron‐acceptors known to date. However, the synthesis and isolation of this class of molecules remain challenging due to its reactivity emanating from its ultra‐electron‐deficiency. Herein we have established an improved synthetic methodology of TCNDIs with cost‐effective reagents and circumventing metallic catalysts. The synthesis is amenable to TCNDIs with the shortest axial alkyl groups, i. e. methyl group and also longer alkyl chains. We also gained insight on how axial alkyl chain lengths influence electron‐deficiency, Meisenheimer complex formation, reactivity, and charge‐transfer of TCNDIs from computation, spectroscopy, and electrochemical studies. The TCNDIs with Me/Et axial groups were found to be more susceptible to moist solvents vis‐à‐vis the TCNDIs with longer alkyl groups. The single crystal structures of the TCNDIs show infinitely π‐stacked structure, and a new C=O ⋅ ⋅ ⋅ C≡N or C≡N ⋅ ⋅ ⋅ π motif is discerned. Finally, toluene‐mediated charge‐transfer properties of TCNDIs in the single crystals as well as in solution have been examined. [ABSTRACT FROM AUTHOR]

We present a protocol for the on‐surface synthesis of polyboroxine molecules derived from boroxine molecules precursors. This process is promoted by oxygen species present on the Au(111) surface: oxygen atoms facilitate the detachment of naphthalene units of trinaphthyl‐boroxine molecules and bridge two unsaturated boroxine centers to form a boroxine‐O‐boroxine chemical motif. X‐ray spectroscopic characterization shows that, as the synthesis process proceeds, it progressively tunes the electronic properties of the interface, thus providing a promising route to control the electron level alignment. [ABSTRACT FROM AUTHOR]

The first examples of RE/Si FLPs (RE: rare-earth metal, FLPs: frustrated Lewis pairs), namely Yb/Si FLPs were synthesized, where Yb⋯Si distances are in the range of 3.55 to 3.72 Å. These FLPs react with triphenylphosphine sulfide and aryl isocyanide to produce novel silylyne group transfer products through dissociation of naphthalene. [ABSTRACT FROM AUTHOR]

This study focuses on the development of regiospecific hydroarylation polyaddition of naphthalene‐ and carbazole‐based monomers with diynes under mild reaction conditions at room temperature. A 1‐pyrazole substituent serves as an appropriate directing group for a Co‐catalyst to efficiently activate the C–H bonds of generally inactive six‐membered aromatic hydrocarbons. The 1‐pyrazole groups in 2,6‐di(1‐pyrazolyl)naphthalene adopt planar conformations and act as directing groups, resulting in a smooth hydroarylation reaction. In contrast, the reaction with 1,5‐di(1‐pyrazolyl)naphthalene do not proceed. The polyaddition reaction of 2,6‐di(1‐pyrazolyl)naphthalene selectively proceeds at 3,7‐positions under mild reaction conditions at 30 °C, and yields corresponding poly(arylenevinylene) (PAV) with high molecular weight. This molecular design is also applicable to the hydroarylation polyaddition of carbazole; the polyaddition reaction of 9‐(2‐ethylhexyl)‐3,6‐di(1‐pyrazolyl)carbazole selectively occurred at 2,7‐positions. The optical and electronic properties of the synthesized compounds are evaluated. The obtained PAVs serve as an emitting material in organic light‐emitting diode (OLED). This study aims to develop a Co‐catalyzed hydroarylation polyaddition via C–H activation of generally inactive polyaromatic hydrocarbons (PAHs) under mild conditions. [ABSTRACT FROM AUTHOR]

Wastewater containing polycyclic aromatic hydrocarbons (PAHs), when improperly managed or released into the environment, can disrupt the ecosystem and degrade the quality of water bodies. Wastewater that contains PAHs needs to be treated immediately. Bagasse was pyrolyzed in this work to produce alternate biochar, which was subsequently CO2-activated. CO2-activated and non-activated biochar were characterized and evaluated for adsorption of naphthalene from an aqueous solution. Thermodynamics, equilibrium, and adsorption kinetics studies were conducted. Contrary to non-activated biochar, which had a surface area of less than 71 m2/g, CO2-activated biochar was a typical mesoporous material with a surface area of roughly 263 m2/g. Therefore, compared to non-activated biochar, CO2-activated biochar has a more significant potential for naphthalene adsorption. CO2-activated and non-activated biochar had maximal naphthalene adsorption capacities of 290.43 and 38.15 mg/g, respectively. According to the findings, both feedstocks achieved the optimal adsorption capacity at pH 7, and 0.2 g of adsorbent at 120 and 180 min for activated and non-activated biochar, respectively. Naphthalene adsorption on CO2-activated biochar proceeded according to the pseudo-second-order model's kinetics. For CO2-activated biochar, with consideration to the equilibrium adsorption isotherms, Langmuir offered the best match. Physical modification considerably enhanced the adsorption of naphthalene onto CO2-activated biochar. Naphthalene and biochar were able to bind to one another by physical interaction, electrostatic attraction, hydrogen bonds, and π–π interaction. Naphthalene adsorption on CO2-activated biochar was spontaneous, exothermic, and favorable. Hence, modified biochar (CO2-activated) has the potential to produce a substitute mesoporous adsorbent from bagasse to remediate naphthalene from wastewater. [ABSTRACT FROM AUTHOR]

This study introduces a novel approach for chloride recognition utilizing multifunctional naphthalene‐based receptors. By strategically modifying the substitution patterns on tetrafluoropyridines, a series of new receptors with customized cavities and enhanced binding capabilities were developed. Density functional theory (DFT) calculations and experimental studies combining NMR spectroscopy and mass spectrometry confirmed the efficacy of these receptors in capturing chloride ions. The relative chloride affinity order determined experimentally is in agreement with DFT predictions. The synergistic effect of anion‐π and C‐H…Cl interactions, mediated by the TFP groups, played a crucial role in achieving high binding affinity. This work provides valuable insights for designing future anion receptors with improved performance. [ABSTRACT FROM AUTHOR]