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Carbonyl groups (C=O) play crucial roles in the photophysics and photochemistry of biological systems. O1s x-ray photoelectron spectroscopy allows for targeted investigation of the C=O group, and the coupling between C=O vibration and O1s ionization is reflected in the fine structures. To elucidate its characteristic vibronic features, systematic Franck–Condon simulations were conducted for six common biomolecules, including three purines (xanthine, caffeine, and hypoxanthine) and three pyrimidines (thymine, 5F-uracil, and uracil). The complexity of simulation for these biomolecules lies in accounting for temperature effects and potential tautomeric variations. We combined the time-dependent and time-independent methods to efficiently account for the temperature effects and to provide explicit assignments, respectively. For hypoxanthine, the tautomeric effect was considered by incorporating the Boltzmann population ratios of two tautomers. The simulations demonstrated good agreement with experimental spectra, enabling differentiation of two types of carbonyl oxygens with subtle local structural differences, positioned between two nitrogens (O1) or between one carbon and one nitrogen (O2). The analysis provided insights into the coupling between C=O vibration and O1s ionization, consistently showing an elongation of the C=O bond length (by 0.08–0.09 Å) upon O1s ionization. [ABSTRACT FROM AUTHOR]

Poly(N,N-diethylacrylamide) (PdEA), one of the thermoresponsive polymers, in aqueous solutions has attracted much attention because of its characteristic properties, such as coil-to-globule (CG) transition. We performed two-dimensional infrared spectroscopy and molecular dynamics (MD) simulations to understand the hydration dynamics in the vicinity of the CG transition at the molecular level via vibrational frequency fluctuations of the carbonyl stretching modes in the side chains of PdEA. Furthermore, N,N-diethylpropionamide, a repeating monomer unit of PdEA, is also investigated for comparison. From decays of the frequency–frequency time correlation functions (FFTCFs) of the carbonyl stretching modes, we consider that inhomogeneity of the hydration environments originates from various backbone configurations of PdEA. The degree of the inhomogeneity depends on temperature. Hydration water molecules near the carbonyl groups are influenced by the confinements of the polymers. The restricted reorientation of the embedded water, the local torsions of the backbone, and the rearrangement of the whole structure contribute to the slow spectral diffusion. By performing MD simulations, we calculated the FFTCFs and dynamical quantities, such as fluctuations of the dihedral angles of the backbone and the orientation of the hydration water molecules. The simulated FFTCFs match well with the experimental results, indicating that the retarded water reorientations via the excluded volume effect play an important role in the vibrational frequency fluctuations of the carbonyl stretching mode. It is also found the embedded water molecules are influenced by the local torsions of the backbone structure within the time scales of the spectral diffusion. [ABSTRACT FROM AUTHOR]

Chromones are a class of naturally occurring compounds, renowned for their diverse biological activities with significant relevance in medicine and biochemistry. This study marks the first analysis of rotational spectra of both the chromone monomer and its monohydrate through Fourier transform microwave spectroscopy. The observation of nine mono-substituted 13C isotopologues facilitated a semi-experimental determination of the equilibrium structure of the chromone monomer. In the case of chromone monohydrate, two distinct isomers were identified, each characterized by a combination of O–H⋯O and C–H⋯O hydrogen bonds involving the chromone's carbonyl group. This study further delved into intermolecular non-covalent interactions, employing different theoretical approaches. The relative population ratio of the two identified isomers was estimated to be about 2:1 within the supersonic jet. [ABSTRACT FROM AUTHOR]

In order to prepare highly heat-resistant packaging insulation materials, in this paper, bismaleimide/epoxy resin (BMI/EP55) composites with different contents of BMI were prepared by melt blending BMI into amino tetrafunctional and phenolic epoxy resin (at a ratio of 5:5). The microstructures and thermal and electrical properties of the composites were tested. The electrostatic potential distribution, energy level distribution, and molecular orbitals of BMI were calculated using Gaussian. The results showed that the carbonyl group in BMI is highly electronegative, implying that the carbonyl group has a strong electron trapping ability. The thermal decomposition temperature of the composites gradually increased with the increase of BMI content, and the 20% BMI/EP55 composites had the highest heat-resistance index, along with a glass transition temperature (Tg) of >250 °C. At different test temperatures, with increase in the BMI content, the conductivity of epoxy resin composites showed a tendency to first decrease and then increase, the breakdown field strength showed a tendency to first increase and then decrease, and the dielectric constant was gradually decreased. Two trap centers were present simultaneously in the composites, where the shallow trap energy level is the deepest in 20% BMI/EP composites and the deep trap energy level is the deepest in 10% BMI/EP55 composites. Correspondingly, the 10% BMI/EP55 composite had a slower charge decay rate, while the 20% BMI/EP55 had a faster charge decay rate. In summary, the BMI/EP55 composites with high heat resistance and insulating properties were prepared in this study, which provided ideas for preparing high-temperature packaging insulating materials. [ABSTRACT FROM AUTHOR]

Long‐chain polyamides (polyethyleneamides) were prepared from polyethylenes bearing in‐chain carbonyl groups (polyethyleneketones) by the oxime formation and successive Beckmann rearrangement. (Diethylamino)sulfur trifluoride (DAST) was utilized as a promoter, which allowed mild conversion of the oxime group in spite of low solubility of the polymers. The polyethyleneamide exhibited different tensile property compared to a commercial HDPE. [ABSTRACT FROM AUTHOR]

Carbon aerogels (CAs) have garnered significant attention due to their multifunctional applications. Biomass waste, abundantly generated by agriculture and industry, serves as a primary carbon source. However, developing a facile, sustainable, and efficient method to produce CAs from biomass waste remains challenging. In this study, a one‐step Zn2+ ion‐glue‐assisted carbonization technique was developed to produce large‐scale, high‐performance CAs. Various biomass materials (wood bits, peanut shells, bamboo bits, and straw waste) were treated in a molten salt system (ZnCl2/KCl) at 300 °C for 2 h to obtain large‐block CAs derived from biomass bits. Zn2+ ions cleave cellulose hydrogen bonds in natural biomass, facilitating the dehydration crosslinking reaction among cellulose, hemicellulose, and lignin, thus reconstructing the entire block structure. The resulting CAs exhibited high porosity (95 %) and low density (0.078 g/cm3). Numerous hydroxyl and carbonyl groups were preserved during the low‐temperature treatment, facilitating chemical modification for diverse applications. For instance, amidoxime functionalized CAs were utilized as filters for selective and highly efficient extraction of U(VI) from wastewater. The adsorption capacity and extraction efficiency reached 801.2 mg/g and 95 % with a flux rate of 6.1×103 L/m2 ⋅ h. [ABSTRACT FROM AUTHOR]

ABSTRACT Star anise has been used for a long time in improving human health and curing diseases, owing to its unlimited components with complex chemical structures and a wide range of bioactivities. This study is aimed to investigate the influence of extraction methods (steam distillation, ethanol Soxhlet extraction, supercritical carbon dioxide extraction, subcritical n‐butane extraction) on the yield, aroma properties, chemical composition, and bioactivity of star anise essential oils. Electronic nose detection revealed the essential oils from subcritical extraction exhibited the most intense aroma, while the essential oils from ethanol Soxhlet extraction had a more complex aroma profile. Fourier‐transform infrared analysis showed the presence of benzene rings, carbonyl groups, C=C, and aromatic ether bonds in the essential oils extracted through different methods. The major components were heterocyclic olefins, heterocyclic oxygenates, and aromatic oxygenates, as well as certain amounts of flavonoids and polyphenols. Correlation analysis revealed the relative contents of volatile trans‐anethole, wormwood, d‐limonene, cineole, and trans‐α‐citronelene were strongly associated with the antibacterial activity of the essential oils. Similarly, the contents of volatile components (d‐limonene, cineole) and non‐volatile components (total flavonoids and total polyphenols) were strongly correlated with the DPPH scavenging activity of the essential oils. These results confirm the effectiveness of the ethanol Soxhlet extraction method in retaining the bioactivity of the essential oils. Finally, with a Box–Behnken central composite design of response surface and single‐factor experiments, the optimal extraction conditions for the ethanol Soxhlet method were determined: ultrasonic frequency of 80 kHz, crushing particle size of 60 meshes, liquid–material ratio of 8:1 (mL:g), and ultrasonic time of 35 min. Under these conditions, the essential oil yield was 25.51% ± 0.21%. Overall, these findings highlight the significance of extraction methods in obtaining high‐quality star anise essential oils with desirable aroma properties and potent bioactivities. [ABSTRACT FROM AUTHOR]

Electrochemical dehydrogenation of hydroxides plays a crucial role in the formation of high‐valence metal active sites toward 5‐hydroxymethylfurfural oxidation reaction (HMFOR) to produce the value‐added chemical of 2,5‐furandicarboxylic (FDCA). Herein, we construct benzoic acid ligand‐hybridized NiCo(OH)x nanowires (BZ‐NiCo(OH)x) with ample electron‐deficient Ni/Co sites for HMFOR. The robust electron‐withdrawing capability of benzoic acid ligands in BZ‐NiCo(OH)x speeds up the electrochemical activation and dehydrogenation of lattice‐hydroxyl‐groups (M2+−O−H⇌M3+−O), boosting the formation of abundant electron‐deficient and high‐valence Ni/Co sites. DFT calculation reveals that the deintercalation proton is prone to establishing a hydrogen bridge with the carbonyl group in benzoic acid, facilitating the proton transfer. Coupled with the synergistic oxidation of Ni/Co sites on hydroxyl and aldehyde groups, BZ‐NiCo(OH)x delivers a remarkable current density of 111.20 mA cm−2 at 1.4 V for HMFOR, exceeding that of NiCo(OH)x by approximately fourfold. And the FDCA yield and Faraday efficiency are as high as 95.24 % and 95.39 %, respectively. The ligand‐hybridized strategy in this work introduces a novel perspective for designing high‐performance transition metal‐based electrocatalysts for biomass conversion. [ABSTRACT FROM AUTHOR]

A set of six porous copolymers of allyl methacrylate (AllMeth) and divinylbenzene (DVB), containing 5 to 50 wt% of the latter crosslinker, are synthesized by suspension polymerization method in the presence of inert diluents. Obtained polymers have various specific surface areas—those with 20 to 50 wt% of DVB have a high surface area in the range of 410–480 m2/g, depending only slightly on the amount of the aromatic crosslinker. Specific surface area decreases strongly only when DVB content is 15 and 5 wt%. That is the feature that is unusual for crosslinked polymers and indicates the participation of allyl groups in making a novel polymeric network of high porosity. All polymers contain polar carbonyl groups, with an electron pair able to interact with polar sorbates. Polymers are characterized using elemental analysis, FTIR, and their porous structure is characterized by nitrogen adsorption at 77 K. All polymers contain residual allyl groups, which possibly can serve as convenient points for chemical modification, allowing for the future synthesis of specialty polymers (such as ion-exchangers and coordinating resins). [ABSTRACT FROM AUTHOR]

In papain macromolecules irradiated with γ-rays, fragments with terminal primary amino groups were formed, and they appeared in the Fourier transform IR spectra as a broad peak with a maximum at 3440 cm–1 and an intense absorption band centered at 1706 cm–1 due to stretching vibrations of carbonyl groups. The intensity of the absorption bands of radiolysis products increased linearly with the irradiation dose of papain. Along with this, a noticeable weakening of the intensity of the absorption peaks of the peptide bond with radiation dose was observed to indicate radiation-induced degradation of the main chain of papain. [ABSTRACT FROM AUTHOR]

This review introduces the synthetic organic chemical value of α‐bromocarbonyl compounds with tertiary carbons. This α‐bromocarbonyl compound with a tertiary carbon has been used primarily only as a radical initiator in atom transfer radical polymerization (ATRP) reactions. However, with the recent development of photo‐radical reactions (around 2010), research on the use of α‐bromocarbonyl compounds as tertiary alkyl radical precursors became popular (around 2012). As more examples were reported, α‐bromocarbonyl compounds were studied not only as radicals but also for their applications in organometallic and ionic reactions. That is, α‐bromocarbonyl compounds act as nucleophiles as well as electrophiles. The carbonyl group of α‐bromocarbonyl compounds is also attractive because it allows the skeleton to be converted after the reaction, and it is being applied to total synthesis. In our survey until 2022, α‐bromocarbonyl compounds can be used to perform a full range of reactions necessary for organic synthesis, including multi‐component reactions, cross‐coupling, substitution, cyclization, rearrangement, stereospecific reactions, asymmetric reactions. α‐Bromocarbonyl compounds have created a new trend in tertiary alkylation, which until then had limited reaction patterns in organic synthesis. This review focuses on how α‐bromocarbonyl compounds can be used in synthetic organic chemistry. [ABSTRACT FROM AUTHOR]

Novel D‐A1‐A2‐π‐A organic sensitizers (FZ‐sensitizer), utilizing spiro [fluorene‐9,9′‐phenanthren]‐10′‐one and benzo [c][1,2,5]thiadiazole moiety as two auxiliary acceptors, are synthesized and applied in dye‐sensitized solar cells (DSSCs) and hydrogen production. By incorporating a bulky spiro [fluorene‐9,9′‐phenanthrene]‐10′‐one (A1) and benzo[c][1,2,5]thiadiazole (A2) between the donor (D) and π‐bridge moiety, structural modifications inhibit molecular aggregation, while the carbonyl group enhances the capture of Li+ ions, thereby delaying charge recombination. Furthermore, the extended π‐conjugation broadens the light absorption range and enhances the power conversion efficiency (PCE) of FZ‐2 under AM1.5 conditions, achieving up to 5.72%. Co‐sensitization with N719 and FZ‐2 shows PCE of 9.60% under one sun. Under TL84 indoor light conditions, the efficiency is 29.69% at 2500 lux. The superior co‐sensitization performance of N719 and FZ‐2 can be attributed to FZ‐2′s high absorptivity at short wavelengths, compensating for N719′s shortcomings in this range. FZ‐sensitizers also exhibit high efficiency in photocatalytic hydrogen production. The hydrogen production activities of FZ‐2 are 9190 μmol/g (1 hour) and 76582 μmol/g (12 hours) respectively, while those of FZ‐1 are 7430 μmol/g (1 hour) and 64004 μmol/g (12 hours), indicating that FZ‐2 can inject charges into TiO2 more efficiently and utilize them for water splitting. Stability testing of photocatalytic water splitting after 12 hours shows a turnover number (TON) of 4249 for FZ‐1 and 5378 for FZ‐2. [ABSTRACT FROM AUTHOR]

To investigate the impact of hydrogen bonds on the removal mechanism of ether bonds and phenolic hydroxyl groups during the hydrothermal dewatering (HTD) process of lignite, we employed density functional theory at the B3LYP-D3/6–311 G (d, p) level to calculate the removal paths of these functional groups. The results revealed that the ether bonds in lignite underwent conversion to phenol hydroxyl and carbonyl groups through isomerization and rearrangement reactions, respectively. Specifically, the isomerization reaction (IR) exhibited a lower minimum energy barrier (339.09 kJ/mol) compared with the rearrangement reaction (RR) (376.24 kJ/mol). Regarding phenolic hydroxyl groups, paths involving H radicals facilitated removal more effectively than direct dehydroxylation. Upon the formation of hydrogen bonds with lignite and water molecules, the energy barrier of PHR1 decreased by approximately 27.5 kJ/mol. In contrast, the IR energy barrier experienced a slight decrease, whereas the RR increased marginally. Simultaneously, the rearrangement of ether bonds and direct dehydroxylation of phenolic hydroxyl groups became more challenging, indicating that hydrogen bonds render these removal processes more favorable through isomerization and H radical-assisted mechanisms. [ABSTRACT FROM AUTHOR]

Chemical degradation of PET with natural rubber was carried out. The product obtained was characterized by FTIR, and it was found that the intensity of the vibration signal of the carbonyl group (1719 cm−1) depends on the mass of rubber used in the reaction and not on the PET degradation products, reaching an adequate mass ratio of Rubber/PET = 4. The chemical structure of the product obtained was rubber chains with end groups of ethylene terephthalate oligomers. The pasting properties of the banana starch were modified with the resulting product, affecting its gelatinization process and the maximum viscosity value of 5.78 Pa.s to 1.50 Pa.s at a temperature of 25 °C. Starch degraded PET-rubber films have better mechanical properties than starch-only films. Additionally, these films degrade at lower temperatures (491 to 469 °C) than starch-only films. The ability of these films to conduct electrical current increases up to 25.52% with respect to that of the native starch film. SEM morphology of the starch degraded PET-rubber films shows the formation of clusters, which causes the films to present adhesive characteristics, indicating that these films have a high potential for application in the adhesive and paint industry as biodegradable materials. [ABSTRACT FROM AUTHOR]

The formation of inclusion complexes of 2-hydroxypropyl-β-cyclodextrin (HP β-CD) with 2-hydroxychalcone (2HOCH) in solution and solid state was investigated using UV–Visible, fluorescence, Fourier transform-infrared (FT-IR) spectroscopy, powder X-ray diffraction (PXRD), scanning electron microscope (SEM) techniques. The results obtained confirmed that 2HOCH formed the stable inclusion complex with HP β-CD. Moreover, the spectral data and Benesi–Hildebrand plots results indicated that the stoichiometry of the inclusion complex was 1:1. Theoretically, the structure of the inclusion complexes and the physical parameters such as complexation energy, highest occupied molecular orbital–lowest unoccupied molecular orbital, and energy gap were obtained using the DFT/B3LYP/6-311G method. It was found that the complexation energy for orientation B was lower than that for orientation A as evidenced by the theoretical calculations. Moreover, the carbonyl group of molecules was located outside of the cyclodextrin cavity while the hydroxyl group was located inside the cavity. The antioxidant capacity and antibacterial responses of the inclusion complexes and, for comparison, the parent compounds were also carried out. [ABSTRACT FROM AUTHOR]

A collection of ring distorted analogue of Nootkatone including 6 CTD (Complex to Diversity) compounds and 9 SAR (Structure Activity Relationship) compounds were synthesized utilizing the carbonyl group as a starting reaction point. [ABSTRACT FROM AUTHOR]

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Poly(2,6‐dimethyl‐1,4‐phenylene oxide) (PPO) is well‐known to be miscible with polystyrene, but immiscible with styrene copolymers containing polar groups. Certain nitrated‐PPOs (NPPOs) were found to be miscible with copolymers of styrene/acrylonitrile (SANs), copolymers of styrene/maleic anhydride (SMAs), a terpolymer of α‐methylstyrene/styrene/acrylonitrile (α‐MS/S/AN), and a copolymer of o‐ and p‐chlorostyrene (PCS). Also, certain simultaneously nitrated‐ and chlorinated‐PPOs (NCPPOs) were found to be miscible with SANs, SMAs and PCS whereas immiscible with the α‐MS/S/AN. The miscibility was indicated by the presence of a single composition‐dependent glass‐transition temperature for a given blend across the entire range of blend compositions tested. The miscibility of the aforementioned NPPOs and NCPPOs blends with SAN1 and SMA1 is attributed to hydrogen bonding of hydroxy groups of NPPOs and NCPPOs with nitrile groups and carbonyl groups, respectively, based on the literature information. The hydroxy groups were generated during nitration and simultaneous nitration/chlorination of PPO as a result of nucleophilic chain scission. Miscible blends of ‐NPPO/SAN and ‐NPPO/SMA with ABS1 showed a substantially better balance of the following properties than a comparable immiscible‐NPPO/SAN blend and a ‐PPO/SAN blend with ABS1: notched Izod impact strength, tensile properties, heat distortion temperature and gasoline stress‐crack resistance. Highlights: Nitration and simultaneous nitration/chlorination of PPO generated hydroxyl end groups.Certain NPPOs and NCPPOs were miscible with SANs, SMAs and PCS.Miscibility indicated by a single composition dependent Tg for a given blend.Miscibility attributed to hydrogen bonding of respective functional groups.Impact‐modified miscible‐NPPO/SAN blends and ‐NPPO/SMA blends with ABS1 as impact modifier had good key properties. [ABSTRACT FROM AUTHOR]

Hard carbon (HC) has been widely regarded as the most promising anode material for sodium‐ion batteries (SIBs) due to its decent capacity and low cost. However, the poor initial Coulombic efficiency (ICE) of HC seriously hinders its practical application in SIBs. Herein, pyridinic N‐doped hard carbon polyhedra with easily accessible carbonyl groups and in situ coupled carbon nanotubes are rationally synthesized via a facile pretreated zeolitic imidazolate framework (ZIFs)‐carbonization strategy. The comprehensive ex/in situ techniques combined with theoretical calculations reveal that the synergy of pyridinic‐N and carbonyl groups promoted by the pretreatment and carbonization process would not only optimize the Na+ adsorption energy but also accelerate the desorption of Na+, significantly suppressing the irreversible capacity loss. As a result, the as‐synthesized hard carbon polyhedra as an anode can deliver an unprecedented high ICE of 98% with a large reversible capacity of 389.4 mAh g−1 at 0.03 A g−1. This work may provide an effective strategy for the structural design of HC with high ICE. [ABSTRACT FROM AUTHOR]

This article describes the controlled synthesis and characterization of an olefin‐linked oxazolone scaffold compound containing multifunctional groups, including the carbonyl group, imine, and carbon‐carbon double bond. The reaction of the bisoxazolone with aromatic amines led to the ring‐opening of the bisoxazolone into the corresponding bisdiamide derivatives in a short time (average 10 min), resulting in a high yield (>90 %). The compounds were characterized by FT‐IR, 1H‐NMR, 13C‐NMR, and MS. Besides, screened against Escherichia coli, Staphylococcus aureus, and Candida albicans using ciprofloxacin as a standard. All compounds exhibited significant inhibition potency against E. coli, with a lower potency against S. aureus. Compounds 3 a, 3 b, and 3 d showed more reactivity against E. coli, while compound 3 i has the highest activity against S. aureus (MIC=128 μg/mL). Additionally, the antioxidant activity was performed utilizing DPPH radical scavenging activity. The findings indicated that some compounds possessed moderate antioxidant activity in comparison to ascorbic acid as a control. A molecular docking study demonstrated a positive interaction between synthesized compounds and the bacterial DNA gyrase target (PDB ID: 1KZN) in S. aureus. Subsequently, in silico ADME simulations were conducted for all the synthesized compounds, indicating favorable properties in comparison to the established antibiotic ciprofloxacin. [ABSTRACT FROM AUTHOR]

Current wood identification struggles to differentiate white and red oak (Quercus alba and Quercus rubra) due to highly similar microstructures, as demonstrated by morphological microscope analysis. The present research explores lignin composition as a potential discriminating factor. Here, a rapid and sustainable method for extracting high‐quality lignin from oak samples using acidic γ‐valerolactone (GVL) under mild conditions is described. As‐extracted lignin is thoroughly characterized using various analytical methods, and results reveal a distinct structural difference between the lignin from the two species. White oak lignin possesses a unique “Hibbert ketone” unit detectable by nuclear magnetic resonance spectroscopy (NMR), which is absent in red oak lignin. In addition, infrared spectroscopy differentiates the species based on specific carbonyl groups present in their lignin. These findings suggest that identifying the presence of the Hibbert ketone unit in lignin may offer a highly efficient and reliable method for differentiating white and red oak, opening new avenues for wood identification. [ABSTRACT FROM AUTHOR]

We report on a photochemical reaction of silyl enol ethers with iminoiodinanes. This aza Rubottom reaction provides a direct access towards α-amino carbonyl compounds under catalyst free reaction conditions with light as the sole source of energy. Control experiments suggest the participation of triplet nitrene intermediates. [ABSTRACT FROM AUTHOR]

Benefiting from their simple and cost‐effective fabrication procedures, printable mesoscopic perovskite solar cells (p‐MPSCs) exhibit substantial potential for large‐scale production. In p‐MPSCs, the thickness of the perovskite filled in the TiO2 and ZrO2 mesoporous layers is ≈3 µm. Therefore, the perovskite crystallization process is more intricate and challenging in the mesoporous structure than the general planar thin film (0.3–0.5 µm). In this work, a multifunctional fluorinated molecule is applied to work as an additive to improve the perovskite crystallization, enhance the device efficiency, and elevate the operational stability. This additive forms robust coordination between its carbonyl groups and uncoordinated Pb2+, thereby effectively passivating defects. The hydrophobic properties of the fluorinated molecule contribute to the device's water‐resistant capability and long‐term operational stability. With these synergistic effects, the power conversion efficiency (PCE) of small‐area cells (0.1 cm2) reaches 20.15% under 1 sun illumination. Large‐area modules (56.4 cm2) are fabricated and exhibit a PCE of 15.41%. [ABSTRACT FROM AUTHOR]

Chiral carbon dots (C‐dots) with circularly polarized luminescence emission have attracted tremendous attention, but achieving circularly polarized room temperature phosphorescence (CPRTP) C‐dots is still challenging. The present contribution reports the success in constructing C‐dots with intrinsic CPRTP property through an eco‐friendly solvent‐free pyrolysis method using urea and (R/S)‐1,1′‐binaphthyl‐2,2′‐diamine as precursors. The obtained C‐dots exhibit intrinsic circularly polarized fluorescence (CPF) and CPRTP dual emission with dissymmetric factors of 10−3, accompanied by long lifetime up to 400 ms. Detailed experimental characterizations and theoretical calculations show that the presence of carbonyl groups and nitrogen atoms as well as charge transfer excitation within the C‐dots is crucial for the RTP emission. More importantly, upon the incorporation of achiral helical polyacetylene, chirality transfer from the nanoscale C‐dots to achiral helical chains effectively occurs during the film formation process, resulting in amplified chiroptical performance. Significantly, based on the synergistic interaction of “circularly polarized excitation” and “re‐polarization” mechanisms, inversion and amplification of CPF/CPRTP emissions with large dissymmetric factors up to 2.0 × 10−2/2.2 × 10−2 are observed in the resulting C‐dots/polyacetylene composite films. This work provides a platform for the construction of novel CPRTP materials with significant potentials. [ABSTRACT FROM AUTHOR]

The search for adsorbents that are non-toxic and low cost with a high adsorption capacity and excellent recyclability is a priority to determine the way to reduce the serious environmental impacts caused by the discharge of effluents loaded with heavy metals. Bacterial cellulose (BC) biomass has functional groups such as hydroxyl and carbonyl groups that play a crucial role in making this cellulose so efficient at removing contaminants present in water through cation exchange. This research aims to develop an experimental process for the adsorption, elution, and reuse of bacterial cellulose biomass in treating water contaminated with Cr (VI). SEM images and the kinetics behavior were analyzed with pseudo-first- and pseudo-second-order models together with isothermal analysis after each elution and reuse process. The adsorption behavior was in excellent agreement with the Langmuir model along with its elution and reuse; the adsorption capacity was up to 225 mg/g, adding all the elution processes. This study presents a novel approach to the preparation of biomass capable of retaining Cr (VI) with an excellent adsorption capacity and high stability. This method eliminates the need for chemical agents, which would otherwise be difficult to implement due to their costs. The viability of this approach for the field of industrial wastewater treatment is demonstrated. [ABSTRACT FROM AUTHOR]

Comprehensive Summary: The stability of organic radicals in ambient condition is important for their practical application. During the development of organic radical chemistry, the electron‐withdrawing and steric hindrance groups are usually introduced to improve the stability of radicals via reducing the reactivity of radicals with oxygen in air. Herein, the electron‐withdrawing carbonyl groups are introduced to construct a planar aromatic oxalic acid radical (IDF‐O8) with two‐dimensional electron spin pan structure. Interestingly, IDF‐O8 exhibited a low optical bandgap of 0.91 eV in film, however, the multiple quinone resonance structures between electron‐withdrawing ketone and phenol radicals contribute to the high stability of open‐shell radical IDF‐O8 without protection of large steric hindrance groups. Under the irradiation of 808 nm (1.2 W·cm–2), IDF‐O8 reaches 147 °C in powder state. This work provides an efficient synthesis route for the open‐shell electron spin pan system, which is different from the famous fullerene, carbon nanotube and graphene. The electron spin pan can be extended to spin tube or spin sphere system based on the design strategy of aromatic inorganic acid radicals in future. [ABSTRACT FROM AUTHOR]

CO is a hazardous and pollutant gas that can be produced in many scenarios of coal-related operations. The study mainly investigated CO production process and mechanism when coal is subject to external forces. The effects of coal type, particle size, temperature, and inlet atmosphere on CO production from coal body fragmentation were investigated through coal loading experiments. Materials Studio software was used to carry out coal macromolecular mechanics simulation and molecular dynamics simulation, and the gas production mechanism of coal under loading was explored at the molecular level. It was found that under air atmosphere, the low degree of deterioration, small particle size, and elevated temperature are all more likely to cause coal samples to fragment and decompose to produce CO. The carbonyl group in the molecular structure of coal is shed or broken free radical fragments react with oxygen which may lead to CO formation. [ABSTRACT FROM AUTHOR]

Highlights For preparing high performance LLDPE film, the photocatalytic activity and the UV absorption capacity of TiO2 were regulated by the alumina coating content on the surface of TiO2. Alumina‐coated TiO2 was prepared by the chemical liquid deposition method, and characterized by element analysis, TGA, FTIR, and morphology observation. The alumina coating layer had been proven to covalently bind to the surface of TiO2 through AlOTi bonds, which formed a continuous and dense coating layer, followed by forming a loose flocculent coating layer with the increase of alumina content. The alumina coating layer could significantly reduce the formation of carbonyl group on the LLDPE chains, and enhance UV aging resistance of LLDPE by inhibiting the photocatalytic activity of TiO2. Moreover, the dispersion of alumina‐coated TiO2 in the LLDPE matrix was improved. Thus, the transmittance of LLDPE/alumina‐coated TiO2 composites was reduced and the whiteness was improved. Importantly, the continuous and dense alumina coating layer was enough to inhibit the photocatalysis effect of TiO2 on LLDPE. The further increase of alumina coating content reduced the UV absorption capacity of alumina‐coated TiO2 and its compatibility with the LLDPE matrix. Therefore, the best alumina coating content on the surface of TiO2 was 1.46 wt% for preparing high performance LLDPE/TiO2 composites. Alumina‐coated TiO2 with controllable coating thickness was successfully synthesized. LLDPE/alumina‐coated TiO2 has excellent UV aging resistance and mechanical properties. The photocatalytic activity and UV absorption capacity of TiO2 could be regulated. 1.46 wt% of alumina coating is the best content for high performance LLDPE/TiO2 composites. [ABSTRACT FROM AUTHOR]

The impact of premade beef patty (BBP) with red onion skin powder (OSP) at 0, 1, 2, and 3% levels on color, lipid, and protein oxidative stability, and infection degree of microorganisms during cold storage was investigated. The objective was to determine the effect of color by L*, a*, b*, and the content of MetMb. The inhibitory effect of OSP on the oxidation of lipid and protein was studied based on TBARS and the carbonyl content of protein in samples at different storage times. TVB-N content was used to characterize the degree of infection of microorganisms and their effect on meat quality. The results showed that the addition of OSP reduced the pH, L *, a*, and b * values of BBP, and improved the hardness, springiness, gumminess, and cohesiveness of BBP, but had no significant effect on the chewiness of BBP (p > 0.05). After 12 days of storage, the carbonyl group and TBARS content in the BBP supplemented with 3%OSP was significantly lower than that in the control group (p < 0.05). Furthermore, the addition of OSP significantly inhibited the TVB-N increase during beef patty storage. These results indicated that OSP has a good research prospect as a natural antioxidant or preservative. [ABSTRACT FROM AUTHOR]

The reaction of N‐(4‐methyl‐2‐pyridinyl)‐P,P‐diphenylphosphinous amide ligand 4‐Me‐C5H3N‐2‐NH(PPh2) (1) with M(CO)6 (M=Cr, Mo, W) in refluxing toluene afforded a mononuclear group VIB metal tetracarbonyls [M(CO)4{1‐κ2P,N}] (M=Cr(2), Mo(3), W(4)). Complexes 2–4 were characterized by multinuclear NMR (1H, 13C and 31P NMR) and IR spectroscopy, and their structures were also determined by single crystal X‐ray diffraction. 2 and 4 represent the first examples of structurally characterized complexes of such ligands with group 6B metal carbonyls. [ABSTRACT FROM AUTHOR]

The sulfinyl group, as one of the bioisosteres of carbonyl groups, attracts considerable attention in the field of synthetic chemistry. In particular, the asymmetric construction of chiral sulfinyl compounds and their derivatives remains in the early stages of development. Sulfinyl compounds mainly include sulfoxides, sulfinate esters and sulfinamides, according to the different functional groups connected to the sulfur atom. This Review summarizes the fascinating recent progress made over the past decade on the asymmetric synthesis of enantiopure sulfinyl derivatives. 1 Introduction 2 Asymmetric Synthesis of Chiral Sulfoxides 3 Asymmetric Synthesis of Chiral Sulfinate Esters 4 Asymmetric Synthesis of Chiral Sulfinamides 5 Conclusion and Outlook [ABSTRACT FROM AUTHOR]

Context: Milk has nutrient-rich but thermal sensitive matrix that undergoes varying degrees of Maillard reaction (MR) at heating conditions. The MR mainly occurs between lysine residues (Lys) and lactose composed of glucose (Glc) and galactose (Gal), which are abundantly sourced from dairy products. In the present study, the MRs of Glc and Gal with Lys at the initial and intermediate stages have been investigated theoretically using density functional theory (DFT) to simulate the gaseous and aqueous phases. Reaction mechanisms have been proposed, and relative energy changes of different steps were calculated according to the total mass balance. The calculations reveal that both Nα- and Nε-amine groups of Lys can react with the carbonyl functional group of Glc and Gal with the similar potential energy profiles, and Gal is more reactive than Glc. However, the barrier in Nε-channel is lower than in Nα-channel, indicating a faster reaction rate through the former channel compared with the latter. The 5-hydroxymethyl-2-furfural (HMF) and derivative are formed under 3-deoxysone route in the intermediate stage. The calculation results are helpful for proposing a reasonable MR mechanism and suggesting possible control methods of the MRs. Methods: In this study, different levels of DFT calculations have been conducted to investigate the mechanisms and favorability of generating MR products in Glc-Lys and Gal-Lys models at initial and intermediate stages in the gaseous and aqueous conditions. In order to elucidate the molecular models from the perspectives of chemistry and geometry, DFT calculations were performed by the mean of B3LYP functional at basis sets of 6–311 + + G (d, p) and 6–311 + + G (2df, 2p) with optional solvation settings. To examine the solvation effect, the study further constructed models with solvent H2O and calculated in wB97XD functional with 6–31 + G (d) basis set. All computations were carried out Gaussian 09 suite of quantum chemistry software. [ABSTRACT FROM AUTHOR]

The purpose of this study was to synthesize and structurally characterize ketocalixarenes (i.e., calixarenes where the bridging methylene bridges are replaced by carbonyl groups) derived from the largest "major" calixarene, namely p-tert-butylcalix[8]arene 3a. Ketocalix[8]arenes were synthesized by the oxidation of protected p-tert-butylcalix[8]arene derivatives. Octamethoxy-p-tert-butylketocalix[8]arene 6b was prepared by the photochemical reaction of the calixarene 3b with NBS in a CHCl3/H2O mixture. The oxidation of the methylene groups of octaacetoxy-p-tert-butylcalix[8]arene 3c was conducted by a reaction with CrO3 in Ac2O/AcOH. The basic hydrolysis of the acetate groups of the oxidation product yielded octahydroxy-p-tert-butylketocalix[8]arene 6a. In the crystal, the molecule adopts a saddle-like conformation of crystallographic C2 and idealized S4 symmetry. Strikingly, the array of OH/OH intramolecular hydrogen bonds present in the parent 3a is completely disrupted in 6a. [ABSTRACT FROM AUTHOR]

In this study, recycled carbon fibers (rCFs) recovered from waste carbon composites were used to manufacture wet-laid nonwoven fabrics. The aim was to improve dispersibility by investigating the changes in the dispersibility of carbon fibers (CFs) based on the content of the dispersant carboxymethyl cellulose (CMC) and the binder polyvinyl alcohol (PVA), and the length and basis weight of the CFs. In addition, the chemical property changes and oxygen functional group mechanisms based on the content of the CMC dispersant and PVA binder were investigated. The nonwoven fabrics made with desized CFs exhibited significantly improved dispersibility. For nonwoven fabrics produced with a fixed binder PVA content of 10%, optimal dispersibility was achieved at a dispersant CMC concentration of 0.4%. When the dispersant CMC concentration was fixed at 0.4% and the binder PVA content at 10%, the best dispersibility was observed at a CF length of 3 mm, while the maximum tensile strength was achieved at a fiber length of 6 mm. Dispersibility remained almost consistent across different basis weights. As the dispersant CMC concentration increased from 0.2% to 0.6%, the oxygen functional groups, such as carbonyl group (C=O), lactone group (O=C-O), and natrium hydroxide (NaOH), also increased. However, hydroxyl group (C-O) decreased. Moreover, the contact angle decreased, while the surface free energy increased. On the other hand, when the dispersant CMC concentration was fixed at 0.4%, the optimal binder PVA content was found to be 3%. As the binder PVA content increased from 0% to 10%, the formation of hydrogen bonds between the CMC dispersant and the PVA binder led to an increase in C=O and O=C-O bonds, while C-O and NaOH decreased. As the amount of oxygen increased, the contact angle decreased and the surface free energy increased. [ABSTRACT FROM AUTHOR]

Summary: In order to improve the adsorption properties and stability of porous starch, the porous starch made from ground rice starch was doubly modified by cross‐linking and esterification using sodium trimetaphosphate (STMP) as a cross‐linking agent and octenyl succinic anhydride (OSA) as an esterifying agent. Structural analysis of the samples showed that the phosphate group in STMP formed a new P‐O‐C covalent bond with the hydroxyl group in starch by substitution, OSA combined with the hydroxyl group of starch formed an ester carbonyl group, and all cross‐linking and esterification occurred in the amorphous region of starch. DSC and TG/DTG analysis showed that STMP modification performed better than OSA modification in thermal stability. However, by analysis of the oil absorption properties and freeze–thaw stability, the OSA‐modified porous starch exhibited better oil‐holding rate and freeze–thaw stability. [ABSTRACT FROM AUTHOR]

The present work investigates the performance of a biofilm reactor filled with a new type of combined packing used to treat wastewater and explores a new technology approach for the application of coral sand and waste non-woven fabric. The combined packing was made of coral sand and waste non-woven fabric, which was used as a biofilm carrier to treat sewage. The experimental results showed that the removal efficiencies of COD, NH4+-N and TN in the biofilm reactor containing the combined packing were 92.9%, 72.9% and 63.2%, respectively. The maximum removal efficiencies of COD, NH4+-N and TN in the biofilm reactor containing single packing were 89.0%, 63.4% and 55.2%, respectively. The properties of the combined packing were characterized by Fourier Transform Infrared (FTIR), specific surface area, SEM and dehydrogenase activity. Infrared analysis showed that there were hydroxyl, carboxyl and carbonyl groups on the surface of coral sand and non-woven fabric which were beneficial for biofilm growth and wastewater treatment. The large pores in the interior of coral sand and non-woven fabric could provide a comfortable environment for microbes to grow and reproduce. The dehydrogenase activity of the biofilm on the surface of coral sand in the third biofilm reactor was 49.91 μgTF·g−1·h−1, which was significantly higher than that of the other two biofilm reactors. The new type of combined packing is suitable for biofilm carriers with low cost, which can be applied to actual sewage treatment projects. This study provides a reference for the practical application of the technique. [ABSTRACT FROM AUTHOR]

This study demonstrated the production of activated carbon monoliths from biomass waste (Delonix regia pods) using a facile method. This was achieved using solvated polystyrene as the binder, which has never been achieved in the past, and KOH as the activating agent. The monolith's pore structures, functional group, morphology, and elemental composition were all investigated. According to the results, the monolith was found to have mesoporous properties, with a surface area of 314.9 m2/g and a pore size of 2.45 nm. Several functional groups, including nitro, carboxyl, and carbonyl groups, were identified, which confirms the potential applications of the monolith. Meanwhile, the KOH activator causes the production of particles with various clusters. The results demonstrated that solvated polystyrene has the ability to function as a binder in monolithic formation and are comparable to those of earlier investigations. [ABSTRACT FROM AUTHOR]

Design of non-noble metal electrocatalysts for biomass conversion to high-value chemicals and understanding the related catalytic mechanisms are of profound significance but have remained a major challenge. Here, we developed a novel biomass-derived electrocatalyst (denoted as Cu/NC), featuring with electron-deficient copper nanoparticles anchored on N-doped carbon nanosheets, for the electrochemical reduction of 5-hydroxymethylfurfural (HMF) to 2,5-bis(hydroxymethyl)furan (BHMF, a vital precursor of functional polymers). The optimized Cu/NC electrocatalyst exhibited an excellent performance with high Faradaic efficiency (89.5%) and selectivity (90.8%) of BHMF at a low concentration of HMF (18.1 mM). Even at a very high HMF concentration (108.6 mM), the Faraday efficiency and selectivity of BHMF could still reach 74.8% and 81.1%, respectively. This performance approached those of the reported noble metal-based electrocatalysts. Mechanism study revealed that the N doping in the Cu/NC catalyst could regulate the electronic structure of Cu, strengthening the adsorption of the HMF carbonyl group, and thus boosting the selectivity of BHMF. Additionally, strong electronic metal-support interactions of Cu and the N-doped carbon support optimized the charge transfer rate, thus promoting the dissociation of water to the active hydrogen (H*) species and boosting the reaction kinetic rate of H* and HMF. [ABSTRACT FROM AUTHOR]

A copper‐catalyzed C4‐selective addition of silicon nucleophiles released from an Si−B reagent to prochiral pyridinium triflates is reported. The dearomatization proceeds with excellent enantioselectivity using Cu(CH3CN)4PF6 as the precatalyst and (R,R)‐Ph‐BPE (1,2‐bis[(2R,5R)‐2,5‐diphenylphospholan‐1‐yl]ethane) as the chiral ligand. A carbonyl group at C3 is required for this, likely acting a weak donor group to preorganize and direct the nucleophilic attack towards C4. The resulting 4‐silylated 1,4‐dihydropyridines can be further converted into functionalized piperidine derivatives. [ABSTRACT FROM AUTHOR]

A new variant of Fisher indole synthesis involving Bronsted acid-catalyzed hydrohydrazination of unactivated terminal and internal acetylenes with arylhydrazines is reported. The use of polyphosphoric acid alone either as the reaction medium or in the presence of a co-solvent appears to provide the required balance for activating the C–C triple bond towards the nucleophilic attack of the hydrazine moiety without unrepairable reactivity loss of the latter due to competing amino group protonation. Additionally, the formal hydration of acetylenes to the corresponding ketones occurs under the same conditions, making it an alternative approach for generating carbonyl groups from alkynes. [ABSTRACT FROM AUTHOR]

Sensitive, accurate, and early detection of biomarkers is essential for prompt response to medical decisions for saving lives. Some infectious diseases are deadly even in small quantities and require early detection for patients and public health. The scarcity of these biomarkers necessitates signal amplification before diagnosis. Recently, we demonstrated single-molecule-level detection of tuberculosis biomarker, lipoarabinomannan, from patient urine using silver plasmonic gratings with thin plasma-activated alumina. While powerful, biomarker binding density was limited by the surface density of plasma-activated carbonyl groups, that degraded quickly, resulting in immediate use requirement after plasma activation. Therefore, development of stable high density binding surfaces such as high binding polystyrene is essential to improving shelf-life, reducing binding protocol complexity, and expanding to a wider range of applications. However, any layers topping the plasmonic grating must be ultra-thin (<10 nm) for the plasmonic enhancement of adjacent signals. Furthermore, fabricating thin polystyrene layers over alumina is nontrivial because of poor adhesion between polystyrene and alumina. Herein, we present the development of a stable, ultra-thin polystyrene layer on the gratings, which demonstrated 63.8 times brighter fluorescence compared to commercial polystyrene wellplates. Spike protein was examined for COVID-19 demonstrating the single-molecule counting capability of the hybrid polystyrene-plasmonic gratings. [ABSTRACT FROM AUTHOR]

In order to solve the problems of short shelf life of refrigerated Micropterus salmoides and the deterioration of quality during refrigerated storage, three preservatives including trehalose (Tre), ginger extract (GE) and Nisin were selected for single factor experiment. L9(34) orthogonal experiment was used to optimize the ratio of the compound preservative. The total viable count (TVC), pH, total volatile basic nitrogen (TVB-N) content, sensory evaluation, water holding capacity, moisture distribution, texture properties and myofibrillar protein (MP) oxidation stability indexes of Micropterus salmoides during refrigerated storage were measured with the optimal ratio of the compound preservative. The optimal ratio of the compound preservative (3.0% Tre, 0.06% GE and 0.06% Nisin) was obtained by single factor experiment and orthogonal experiment. The results showed that on the 8th day of refrigeration, the logarithm of TVC of control group (CK group) was 6.01, which exceeded the specified limit of spoilage. At the 16th day of storage, the logarithm of TVC of EG2 group was still lower than 6.00, the content of TVB-N was not more than 20 mg/100 g and the pH was less than 7.20. Compared with CK group, free water content in compound preservative groups (EG1 group and EG2 group (that was preferred group)) were significantly decreased, water holding capacity were significantly increased (P<0.05), and the hardness, chewiness and sensory scores of Micropterus salmoides were better than CK group. The related indexes of MP oxidation stability showed that the total sulfhydryl content and Ca2+-ATPase activity in compound preservative groups (EG1 group and EG2 group (that was preferred group)) were significantly higher than those in CK group (P<0.05), while the surface hydrophobicity and carbonyl group content were significantly lower than those in CK group (P<0.05), meanwhile, the protective effect of EG2 group on the oxidation stability of MP was better than that of EG1 group. The correlation analysis showed that there was significant correlation (P<0.01) among the indexes of Micropterus salmoides fillets treated with compound preservatives. Comprehensive analysis showed that the quality deterioration of refrigerated Micropterus salmoides could be effectively delayed and the MP oxidation of refrigerated Micropterus salmoides could be significantly inhibited, among which the optimal ratio group (EG2 group) had the best comprehensive effect. This study would provide a theoretical basis for the development and application of water retention and preservation technology for refrigerated Micropterus salmoides. [ABSTRACT FROM AUTHOR]

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The presence of heavy metals in wastewater is an environmental concern and the current treatment procedures are very expensive so it is necessary to find effective and inexpensive biosorbents. In this study, Fucus vesiculosus was used as a biosorbent for the biosorption of Cr(III) ions from the aqueous solutions. Biosorption parameters, such as pH, adsorbent dose, contact time, and initial concentrations of Cr(III) had the most impact on the sorption process. The required pH value for sorption was 5, the biosorbent dose was 4.0 g/L, the contact time was seen to occur after 90 min, and the Cr(III) removal decreased from 98.9 to 92%. The maximum biosorption capacity of chromium was 14.12 mg/g. FTIR analysis of Fucus vesiculosus biomass before the sorption process contains carboxyl, amino, hydroxyl, alkyne, and carbonyl groups, and according to the analysis after the sorption process, it was found that Cr(III) metal ions were incorporated within the sorbent during the interaction with (=C–H) active functional groups. The biosorption data were found to be perfectly suited by Langmuir equilibrium isotherm model. According to the results of this study, Fucus vesiculosus is an effective biosorbent for the removal of Cr(III) from aqueous solutions. [ABSTRACT FROM AUTHOR]

We report on the synthesis and detailed spectroscopic characterization of bis-phenylhydrazone astaxanthin (BPH-Asx), a derivative of astaxanthin (Asx), in which the conjugated carbonyl group of Asx is replaced by a conjugated C＝N bond. BPH-Asx was successfully synthesized and characterized using various spectroscopic techniques, revealing subtle changes in absorption spectra and significant alterations in excited-state dynamics compared to Asx. The results reveal a shortened S1 lifetime, 1.4 ps for BPH-Asx compared to 5 ps for Asx, indicating a significant impact on its excited-state dynamics. Since no polarity-induced effect was observed for BPH-Asx, the changes induced by the conjugated C＝N group are due to prolongation of effective conjugation. Moreover, the identification of a distinctive S* signal with a 3 ps lifetime in BPH-Asx underscores the relation between effective conjugation and presence of the S* signal that is not detected in Asx. [ABSTRACT FROM AUTHOR]

Multi‐resonant thermally activated delayed fluorescent (MR‐TADF) materials, which combine large oscillator strengths, small singlet‐triplet energy gaps, high photoluminescence quantum yields, and color purity, have attracted great interest in both experimental and theoretical research in recent years. However, the differences between two classes of MR‐TADF, utilizing carbonyl groups and boron atoms as acceptors respectively, have not been clearly delineated, and the implementation of strategies combining both is extremely limited. This limitation hampers the diversity in composition and structure of MR‐TADF. In this study, we employed boron as the central acceptor and carbonyl groups as peripheral acceptors, designing and investigating 7 merged systems of MR‐TADF molecules. Calculations revealed that, in contrast to the strong acceptor characteristics of boron atoms, carbonyl groups do not exhibit absolute acceptor features, and their resonance effects depend on the surrounding environment. This unique resonance effect induces LRCT features to varying degrees, enabling the emission coverage of these molecules across almost the entire visible spectrum (theoretical emission wavelengths covering 452–751 nm). We gained an understanding of the differences between boron acceptors and carbonyl groups, achieving full‐color emission by adjusting only the MR cores. This provides insights into the rational design of complex‐component full‐color MR‐TADF emitters. [ABSTRACT FROM AUTHOR]

The dinuclear mol­ecule of the title compound, [Mo2(C9H13)2(CO)6] or [Mo(tBuCp)(CO)3]2 where tBu and Cp are tert-butyl and cyclo­penta­dienyl, is centrosymmetric and is characterized by an Mo—Mo bond length of 3.2323 (3) Å. Imposed by inversion symmetry, the tBuCp and the carbonyl ligands are in a transoid arrangement to each other. In the crystal, inter­molecular C—H⋯O contacts lead to the formation of layers parallel to the bc plane. [ABSTRACT FROM AUTHOR]

In the field of anticancer therapy study it is of great interest to find effective G‐quadruplex ligands which may be of potential use in medical treatment or cancer prevention. Since among the compounds of natural origin, flavonoids have attracted notable attention because of their unique properties and promising therapeutic applications, an interesting question was to identify the flavonoid structural features that could provide effective binding properties toward G‐quadruplex. By using electrospray ionization mass spectrometry, followed by the survival yield method, it has been shown that the flavonoid molecules which contain an available C4=O carbonyl group form more stable adducts with G‐tetrads than the other ones. Molecular docking has shown that C4=O carbonyl group can be a source of hydrogen bonds and/or π‐stacking interactions. Therefore, the flavonoid molecules which contain an available C4=O carbonyl group can be regarded as good binders of G‐quadruplexes. [ABSTRACT FROM AUTHOR]

Summary: The study inquired the influences of l‐arginine and l‐lysine on the physicochemical properties (including weight loss rate, water activity, texture, colour, lipid and protein oxidation, residual nitrite content and total volatile basic nitrogen (TVB‐N) content) of low‐sodium and low‐phosphate Cantonese sausage during the 1‐ and 7‐day storage. The results showed that the addition of l‐arginine or l‐lysine reduced the weight loss rate, TBARS content, carbonyl group content and residual nitrite level, slightly decreased water activity, and enhanced L*, a* and b* values. Compared to the control, 0.3% l‐arginine or l‐lysine declined hardness and chewiness, while 0.6% l‐arginine or l‐lysine elevated these two parameters. However, the addition of l‐arginine or l‐lysine also led to an increase in TVB‐N content. Overall, l‐arginine and l‐lysine improved the qualities of low‐sodium and low‐phosphate Cantonese sausage, which might be attractive to meat product manufacturers. [ABSTRACT FROM AUTHOR]