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BackgroundThe Atribacterota are widely distributed in the subsurface biosphere. Recently, the first Atribacterota isolate was described and the number of Atribacterota genome sequences retrieved from environmental samples has increased significantly; however, their diversity, physiology, ecology, and evolution remain poorly understood.ResultsWe report the isolation of the second member of Atribacterota, Thermatribacter velox gen. nov., sp. nov., within a new family Thermatribacteraceae fam. nov., and the short-term laboratory cultivation of a member of the JS1 lineage, Phoenicimicrobium oleiphilum HX-OS.bin.34TS, both from a terrestrial oil reservoir. Physiological and metatranscriptomics analyses showed that Thermatribacter velox B11T and Phoenicimicrobium oleiphilum HX-OS.bin.34TS ferment sugars and n-alkanes, respectively, producing H2, CO2, and acetate as common products. Comparative genomics showed that all members of the Atribacterota lack a complete Wood-Ljungdahl Pathway (WLP), but that the Reductive Glycine Pathway (RGP) is widespread, indicating that the RGP, rather than WLP, is a central hub in Atribacterota metabolism. Ancestral character state reconstructions and phylogenetic analyses showed that key genes encoding the RGP (fdhA, fhs, folD, glyA, gcvT, gcvPAB, pdhD) and other central functions were gained independently in the two classes, Atribacteria (OP9) and Phoenicimicrobiia (JS1), after which they were inherited vertically; these genes included fumarate-adding enzymes (faeA; Phoenicimicrobiia only), the CODH/ACS complex (acsABCDE), and diverse hydrogenases (NiFe group 3b, 4b and FeFe group A3, C). Finally, we present genome-resolved community metabolic models showing the central roles of Atribacteria (OP9) and Phoenicimicrobiia (JS1) in acetate- and hydrocarbon-rich environments.ConclusionOur findings expand the knowledge of the diversity, physiology, ecology, and evolution of the phylum Atribacterota. This study is a starting point for promoting more incisive studies of their syntrophic biology and may guide the rational design of strategies to cultivate them in the laboratory. Video Abstract.

The reemerging field of photoredox catalysis offers numerous advantages towards the development of novel, sustainable and easy‐to‐execute organic transformations. Herein, we report a light‐triggered application of cerium complexes towards the C−H alkenylation and alkynylation of alkanes. An indirect HAT‐mediated photocatalytic protocol was developed, using a cerium salt (CeCl3 ⋅ 7H2O) and a chlorine source (TBACl) as the catalytic system. A variety of cyclic and linear hydrocarbons were utilized, delivering the corresponding alkenylation or alkynylation products in good to high yields, displaying high regioselectivity. A series of mechanistic experiments were conducted. [ABSTRACT FROM AUTHOR]

Plastic pollution poses a pressing environmental challenge in modern society. Chemical catalytic conversion has emerged as a promising solution for upgrading waste plastics into valuable liquid alkanes and other high value products. However, the current methods yield mixed products with a wide carbon distribution. To address this challenge, we present a bifunctional catalytic system consisting of β zeolite mixed hierarchical Pt@Hie‐TS‐1, designed for the conversion of low‐density polyethylene (LDPE) into liquid alkanes. This system achieves a 94.0 % yield of liquid alkane, with 84.8 % of C5−C7 light alkanes. Combined with in situ FTIR and molecular dynamics simulation, the shape‐selective mechanisms is elucidated, which ensures that only olefins of the appropriate size can diffuse to the encapsulated Pt sites within the zeolite for hydrogenation, resulting in an ultra‐narrow product distribution. Furthermore, by optimizing the micro‐mesopores of Pt@Hie‐TS‐1, the scaling relationship between the pore structure and the conversion/selectivity is identified. The rapid diffusion of olefins within these micro‐mesopores significantly enhances the catalytic efficiency. Our findings contribute to the design of efficient catalysts for plastic waste valorization. [ABSTRACT FROM AUTHOR]

The oxidation of C2–C4 olefins in a dielectric barrier discharge in the presence of water with the formation of oxygen-containing compounds and various C1–C5+ hydrocarbons with saturated and unsaturated structures has been studied. It has been established that the direction of the reaction is influenced by the molecular weight and structure of the starting olefin. In the series ethylene–propylene–butylene, the concentration of oxygen-containing compounds increased from 28.1 to 74.3 and 66.7 wt %, respectively. The oxidation of isobutene predominantly produced isobutyraldehyde and acetone with concentrations of 53 and 21 wt %, respectively, and 2-butanol (to 26 wt %) was the main product in the oxidation of 1-butene and 2‑butene. [ABSTRACT FROM AUTHOR]

This study proposes and demonstrates a systematic methodology to formulate surrogates that can efficiently mimic the evaporation behaviors of real fuel droplets at elevated temperatures. The surrogates were designed by employing a discrete component evaporation model, which considers finite conductivity and mass diffusivity effects in the liquid phase. In the first place, a sensitivity analysis (SA) method was applied to rigorously assess the impact of each physical property on the fuel droplet evaporation behaviors. Then, the pseudo-component approach was employed to characterize the target fuel and estimate its physical properties based on hypothetical components. Comparing each pseudo-component (PC) with alkane hydrocarbons based on the most relevant properties (as identified from the SA) led to finding the most similar alkanes to those PCs. Thus, the proposed methodology allows to choose the optimal palette in a systematic manner. The final step is to optimize the mass fractions of the different constituents to emulate the evaporation characteristics of the target fuel by means of a multi-objective genetic algorithm. The fuel droplet evaporation was modeled for those selected compositions, and the results were validated against high-temperature experimental data obtained at a single falling-droplet facility for the target fuels. The method was applied on three different practical fuels, namely diesel, Jet A and heating oil, covering therefore a broad range of real applications. In all cases, the evaporation characteristics of the surrogates designed following the systematic methodology proposed here showed remarkable similarity to the target fuels. [ABSTRACT FROM AUTHOR]

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This study elucidates the impact of the types and blending ratios of low-carbon alkanes (methane and ethane, C1/C2) on the combustion and emission performance of NH₃ and analyzes the reasons for the differences in the effects of C1/C2 from the elementary reaction. The experimental and numerical analysis results show that C1/C2 reduces the temperature dependence of NH₃ oxidation and promotes the formation of combustion-promoting (CP) radicals. The concentration of CP is determined by the strength of the H-abstraction reactions of C1/C2. The initial H-abstraction product of C1, CH₃, exhibits reaction inertness, whereas the inert radicals of C2 (C₂H₄, C₂H₃, and C₂H₂) appear after three main H-abstraction steps. Additionally, C1/C2 intensifies the NH→N→NO reaction, worsening thermal-NO emissions; this study classifies it as a thermal-NO generation pathway. Although NH₂ and NH significantly reduce fuel-NO, their effect on thermal-NO is less pronounced. The consumption of thermal-NO primarily depends on the reverse direction of the reaction N 2 +O N + NO. • The introduction of C1/C2 reduces the temperature dependence of NH 3 oxidation reactions. • The dehydrogenation reactions of C1/C2 produce different types of inert radicals that limit subsequent dehydrogenation reactions. • C1's inert radicals form after the first dehydrogenation, while C2's form after the third dehydrogenation. • For the HC(O)/NH 3 , NH.→N→NO should be classified as one of the thermal-NO generation pathways. • Thermal-NO consumption depends on N accumulation, driving the reaction N 2 +O=N+NO. [ABSTRACT FROM AUTHOR]

gem-Difluoroalkenes and trifluoromethyl alkanes are prominent structures in biologically active compounds. Radical alkylation of α-trifluoromethyl alkenes represents a useful strategy to access these structures. However, reported methods have relied on the use of pre-functionalized radical precursors and examples involving the use of simple hydrocarbons as coupling partners are elusive. Here we report a chemodivergent methodology based on the direct activation of C(sp3)–H bonds enabled by HAT photoredox catalysis. This protocol provides an efficient platform for preparing both gem-difluoroalkenes and trifluoromethyl alkanes from ubiquitous hydrocarbon feedstocks, including gaseous alkanes. Importantly, chemoselectivity is easily achieved by simple modification of reaction conditions and/or additives. [ABSTRACT FROM AUTHOR]

We report an aniline ligand (1) with two bis(pyrazolyl)alkane arms, and its cationic, dizinc complexes. XRD, NMR, and modelling of the dizinc complexes resulted in an unprecedented, dynamic μ-anilide core. Compared with published μ-phenolate analogues, our μ-anilide complexes show higher activity and divergent counterion trends in ring-opening polymerization of rac-lactide. [ABSTRACT FROM AUTHOR]

This paper focuses on the degrading capacity of various hydrocarbon fractions of used engine oils (UEO) by marine microorganisms, as well as the biosorption of heavy metals. A bacterial strain with a significant capability to grow on UEO as a sole source of carbon and energy was isolated from harbour seawater samples (Oran, Algeria). The molecular identification by sequencing the 16S rDNA gene revealed that the bacterium matched Acinetobacter baumanii with 96.84% homology similarity. Thus, strain HAR20 was named Acinetobacter sp.HAR20. The degradation rate of UEO (at 1%, v/v) obtained after 15 days of incubation was about 53.4 ± 4.2%. The results of GC-MS analysis of the biodegraded residual motor oil indicate that strain Acinetobacter sp.HAR20 degrades alkanes with chain lengths ranging from C4 to C48 completely or to shorter fractions. The bacterium was also able to degrade all aromatic compounds of UEO, including polycyclic aromatic hydrocarbons (alkylated and no alkylated naphthalene, alkylated phenanthrene, and fluorene). The strain Acinetobacter sp.HAR20 exhibited different degrees of resistance to the heavy metals tested (Cd, Zn, Ni, Cu, Fe, and Pb). The highest tolerance was obtained for Pb (600 mg.l−1). The study of lead biosorption at a concentration of 300 mg.l−1 revealed that the bacterium displayed a removal rate of 57.47 ± 7.5%. The strain Acinetobacter sp.HAR20 has shown an interesting biodegradation potential; therefore, it could be proposed as a choice for the bioremediation of contaminated seawater by used engine oils. [ABSTRACT FROM AUTHOR]

C−H functionalization of purely aliphatic substrates is a challenging endeavor, as the absence of directing groups generally thwarts attempts at regiocontrol. This is particularly true for difunctionalization reactions, where the control of relative stereochemistry poses an additional obstacle. The Baddeley reaction of decalins, despite suffering from strong limitations with regard to yield and generality, stands as one of only few known transformations capable of regio‐ and stereocontrol in aliphatic C−H functionalization. Herein, we report a regio‐ and diastereoselective method for the double functionalization of decalins enabling access to a novel, unreported regioisomer in synthetically useful yields. This method was also successfully applied to a range of other alkane substrates, enabling a straightforward synthesis of keto alcohols from the simplest alkane building blocks. [ABSTRACT FROM AUTHOR]

Bakelite, a thermosetting plastic, has limited feasibility for thermal recycling processes such as pyrolysis, unlike thermoplastics, due to its inherent tendency to get charred upon heating and difficulty in being converted into valuable fuel and chemical compounds. In this study, the co‐pyrolysis of bakelite and poly methyl methacrylate is explored to improve the thermal degradation and thus recycling feasibility of bakelite by pyrolysis. The kinetics and thermodynamics of the co‐pyrolysis of blended samples are analyzed using different kinetics models. The thermal degradation experiments of the sample are conducted from ambient to 1000 °C at five various heating rates of 5, 10, 20, 30, and 50 °C/min in an inert N2 gas environment. The results showed that adding poly methyl methacrylate to bakelite changes the pyrolytic degradation temperature and weight loss trend. The kinetic analysis reveals that the thermal degradation at 220–345 °C follows an F2.5 order‐based model with an average activation energy of 181 kJ/mol, while the degradation at 345–475 °C follows an F2 order‐based model with an average activation energy of 318 kJ/mol. The enthalpy changes and free energy change associated with thermal degradation exhibit a positive trend while that of entropy change shows a negative trend. With blending the free energy change and entropy change decreased while enthalpy change increased. During batch pyrolysis at 450 °C, the PMMA‐Bakelite blend generates oil (49.17 %), wax (12.36 %), residue (15.36 %), and gas (23.11 %). According to FTIR and GC‐MS analyses, the pyrolytic oil produced by the co‐pyrolysis of the blended sample at 450 °C comprises 32.23 % saturated hydrocarbons (C9–40), 20.97 % unsaturated hydrocarbons (C6–24), and 46.80 % oxygenated material (C5–19). These findings can assist in the optimization of pyrolysis reactor design for the recycling of thermosetting plastics. [ABSTRACT FROM AUTHOR]

Non‐covalent interactions offer an alternative way for developing stimulus‐responsive materials such as sensors, machines, and drug‐delivery systems. We recently reported that a urethane‐equipped tetrakis(porphyrin) forms one‐handed helical supramolecular polymers in solution in response to chirality of chiral solvents. Conformational changes in helical sense were detected using circular dichroism (CD) spectroscopy, which showed that the tetrakis(porphyrin) can possibly be used as a sensor for determining the enantiomeric excess of a chiral analyte. Hence, we studied the scope and limitations of the chiral‐induction behavior of tetrakis(porphyrin) to deepen the understanding of tetrakis(porphyrin)‐based chiral sensing systems. Herein, we report the chiral‐induction behavior of tetrakis(porphyrin) in various chiral solvents, which was found to be CD‐active in many chiral solvents. Notably, the tetrakis(porphyrin) was CD active in a cryptochiral molecular solvent, which is exciting because the chiralities of acyclic saturated hydrocarbons are hard to sense. Consequently, this study highlights the potential advantages of supramolecular chiral sensors capable of targeting a wide range of analytes, including molecules that are absorption‐silent in the UV/vis region, ones devoid of anchoring functional groups, and acyclic, saturated hydrocarbons. [ABSTRACT FROM AUTHOR]

This research delves into a comprehensive investigation of a specific group of alkanes, with the primary objective of establishing meaningful associations between their inherent physical attributes and a set of graphical parameters ranging from topological indices to their associated graphical entropies. Though there are countless techniques to relate molecular structure and physical properties of chemical compounds, the pursuit has often been pricey and arduous. With a view to curb the expense and intense labour, this work focuses on attaining some of these properties using graphical interpretations and statistical interventions. Driven by this objective, we compute Sombor index, a recently developed topological tool and some of its variants for all structural isomers of alkanes with carbon range four to nine. Furthermore, our study employs multiple regression analysis to explore their connections with some physical attributes of alkanes while concurrently addressing the challenge posed by multicollinearity. We have adopted the technique of robust regression to scale down the impact of outliers in the dataset, while generating regression models. Further, the established results are justified with a 10-fold cross validation process and a comparison with the results obtained from different topological indices. The results of this research contribute a valuable insight to the fields of chemical informatics and structural analysis, offering an enhanced comprehension of the interplay between molecular structure and physical attributes within alkanes. [ABSTRACT FROM AUTHOR]

The volatile components of Stropharia rugosoannulata and Tricholoma lobayense were analyzed by mass spectrometry, and the relative contents of each component were determined by the internal standard method. In Stropharia rugosoannulata, 58 volatile components were identified, including 10 alcohols, 14 esters, 9 aldehydes, 5 ketones, 1 phenol, 3 alkanes, 4 amines, 5 acids, 1 furan, 1 pyrazine, 1 olefin, 1 oxime, 1 pyrazole, and 2 other components. Among them, the most abundant volatile component was hexanal (1655.40 ng/g), followed by pentanoic acid (1503.10 ng/g) and phenylethyl alcohol (1215.94 ng/g). In Tricholoma lobayense, 68 volatile components were identified, including 17 aldehydes, 11 ketones, 8 acids, 10 esters, 5 alcohols, 1 phenol, 2 furans, 4 alkanes, 1 alkene, 1 oxime, 1 pyrazole, 1 amine, and 6 other components. Among them, the most abundant volatile component was benzaldehyde (2190.67 ng/g), followed by hexanal (1708.81 ng/g) and furan, 2-pentyl- (838.45 ng/g). There were 21 common volatile components between the two different edible fungi, including 7 aldehydes, 5 esters, 3 ketones, 2 alcohols, 2 acids, 1 oxime, and 1 furan. [ABSTRACT FROM AUTHOR]

Background: Obesity is one of the public health issues that seriously threatens human health. This study aimed to investigate the effects of wheat bran oil (WBO) on body weight and fat/lipid accumulation in high-fat diet (HFD)-induced obese rats and further explore the possible mechanisms by microbiome and metabolome analyses. Methods: Fifty Sprague-Dawley (SD) rats were fed either a normal chow diet (B group, n = 10) or HFD (n = 40) for 14 weeks to establish an obesity model. The HFD-induced obese rats were further divided into four groups and given WBO at 0 mL/kg (M group), 1.25 mL/kg (WBO-L group), 2.5 mL/kg (WBO-M group), and 5 mL/kg (WBO-H group) by oral gavage for 9 weeks. The body weight of rats was weighed weekly. The gut microbiota structure was analyzed using 16 S rDNA high-throughput sequencing. The liver metabolite profile was determined using UHPLC-QE-MS non-target metabolomics technology. Results: In this study, WBO treatment reduced body weight gain, fat and lipid accumulation, and ameliorated hepatic steatosis and inflammation. WBO treatment increased the relative abundance of Romboutsia and Allobaculum and decreased that of Candidatus_Saccharimonas, Alloprevotella, Rikenellaceae_RC9_gut_group, Alistipes, Parabacteroides, UCG-005, Helicobacter, Colidextribacter, and Parasutterella compared with the M group. A total of 22 liver metabolites were significantly altered by WBO treatment, which were mainly involved in taurine and hypotaurine metabolism, nicotinate and nicotunamide metabolism, phenylalanine, tyrosine and tryptophan biosynthesis, phenylalanine metabolism, and ether lipid metabolism. Conclusions: WBO alleviated body weight gain and fat/lipid accumulation in HFD-induced obese rats, which may be related to altered gut microbiota and liver metabolites. [ABSTRACT FROM AUTHOR]

Effective separation of linear and branched C6 alkanes is of importance in the improvement of the research octane number of gasoline during the isomerization of linear alkanes. However, developing a novel material for this separation remains a challenge. Activated crystals with a collapsed "channel-like sorption site" by assembling p-bromothiacalix[4]arene propyl ether molecules after removing cyclohexane (CyC6) molecules that act as templates are classified as a nonporous adaptive crystal. The activated crystals are capable of storing branched alkanes such as isohexane (2-C6), 3-methylpentane (3-C6), and 2,2- and 2,3-dimethylbutane (2,2- and 2,3-C6) vapors in the single-component system. In contrast, no sorption of n-hexane (n-C6) as one of the linear alkanes was observed. In these branched alkanes, the crystals preferentially adsorbed more branched alkanes, specifically 2,2-C6 and 2,3-C6, compared to mono-branched alkanes like 2-C6 and 3-C6 in two-component systems. Surprisingly, slight adsorption of n-C6 was observed in the system. The retention capacity of mono- and di-branched and linear alkanes in the crystals follows the order: 2,2-C6 ≈ 2,3-C6 > 3-C6 > 2-C6 ≫; n-C6. [ABSTRACT FROM AUTHOR]

Drought stress is one of the main abiotic stresses that limit plant growth and affect fruit quality and yield. Plants primarily lose water through leaf transpiration, and wax effectively reduces the rate of water loss from the leaves. However, the relationship between water loss and the wax formation mechanism in goji (Lycium barbarum) leaves remains unclear. 'Ningqi I' goji and 'Huangguo' goji are two common varieties. In this study, 'Ningqi I' goji and 'Huangguo' goji were used as samples of leaf material to detect the differences in the water loss rate, chlorophyll leaching rate, wax phenotype, wax content, and components of the two materials. The differences in wax-synthesis-related pathways were analyzed using the transcriptome and metabolome methods, and the correlation among the wax components, wax synthesis genes, and transcription factors was analyzed. The results show that the leaf permeability of 'Ningqi I' goji was significantly lower than that of 'Huangguo' goji. The total wax content of the 'Ningqi I' goji leaves was 2.32 times that of the 'Huangguo' goji leaves, and the epidermal wax membrane was dense. The main components of the wax of 'Ningqi I' goji were alkanes, alcohols, esters, and fatty acids, the amounts of which were 191.65%, 153.01%, 6.09%, and 9.56% higher than those of 'Huangguo' goji, respectively. In the transcriptome analysis, twenty-two differentially expressed genes (DEGs) and six transcription factors (TFs) were screened for wax synthesis; during the metabolomics analysis, 11 differential metabolites were screened, which were dominated by lipids, some of which, like D-Glucaro-1, 4-Lactone, phosphatidic acid (PA), and phosphatidylcholine (PE), serve as prerequisites for wax synthesis, and were significantly positively correlated with wax components such as alkanes by the correlation analysis. A combined omics analysis showed that DEGs such as LbaWSD1, LbaKCS1, and LbaFAR2, and transcription factors such as LbaMYB306, LbaMYB60, and LbaMYBS3 were strongly correlated with wax components such as alkanes and alcohols. The high expression of DEGs and transcription factors is an important reason for the high wax content in the leaf epidermis of 'Ningqi I' goji plants. Therefore, by regulating the expression of wax-synthesis-related genes, the accumulation of leaf epidermal wax can be promoted, and the epidermal permeability of goji leaves can be weakened, thereby reducing the water loss rate of goji leaves. The research results can lay a foundation for cultivating drought-tolerant goji varieties. [ABSTRACT FROM AUTHOR]

Acetic acid (AA), a vital compound in chemical production and materials manufacturing, is conventionally synthesized by starting with coal or methane through multiple steps including high‐temperature transformations. Here we present a new synthesis of AA from ethane through photocatalytic selective oxidation of ethane by H2O2 at 0–25 °C. The catalyst designed for this process comprises g‐C3N4 with anchored Pd1 single‐atom sites. In situ studies and computational simulation suggest the immobilized Pd1 atom becomes positively charged under photocatalytic condition. Under photoirradiation, the holes on the Pd1 single‐atom of OH−Pd1⊕ ${{}^{\oplus }}$ /g‐C3N4 serves as a catalytic site for activating a C−H instead of C−C of C2H6 with a low activation barrier of 0.14 eV, through a concerted mechanism. Remarkably, the selectivity for synthesizing AA reaches 98.7 %, achieved under atmospheric pressure of ethane at 0 °C. By integrating photocatalysis with thermal catalysis, we introduce a highly selective, environmentally friendly, energy‐efficient synthetic route for AA, starting from ethane, presenting a promising alternative for AA synthesis. This integration of photocatalysis in low‐temperature oxidation demonstrates a new route of selective oxidation of light alkanes. [ABSTRACT FROM AUTHOR]

The stereoselective activation of alkanes constitutes a long-standing and grand challenge for chemistry. Although metal-containing enzymes oxidize alkanes with remarkable ease and selectivity, chemical approaches have largely been limited to transition metal–based catalytic carbon–hydrogen functionalizations. Alkanes can be protonated to form pentacoordinated carbonium ions and fragmented into smaller hydrocarbons in the presence of strong Brønsted acids. However, catalytic stereocontrol over such reactions has not previously been accomplished. We show here that strong and confined acids catalyze highly enantioselective fragmentations of a variety of cyclopropanes into the corresponding alkenes, expanding the boundaries of catalytic selective alkane activation. Computational studies suggest the involvement of the long-debated cycloproponium ions. [ABSTRACT FROM AUTHOR]

A mild, metal‐free Giese‐type hydrodifluoroalkylation of electron‐deficient alkenes under visible‐light irradiation has been developed. This highly reducing photoactivated Hantzsch ester facilitates C(sp3)−CF2 bond formation through photoinduced electron transfer (PET) and hydrogen atom transfer (HAT) processes, providing an easy access to diverse gem‐difluorinated alkanes. [ABSTRACT FROM AUTHOR]

We report herein the acid-catalyzed regioselective remote heteroarylation and reductive alkylation of alkenes. Various alkenes, including mono-, di-, and tri-substituted alkenes and cyclic alkenes, are applicable to this reaction. This method exhibits broad substrate scope, high functional group tolerance and high atomic economy. In addition, both gram-scale synthesis and product transformations demonstrate the potential utility of this reaction. It also provides an efficient and novel pathway to establish the valuable framework of 1,1-diaryl alkanes. Further mechanistic studies suggested that TfOH in situ generated by Cu(OTf)2 and trace H2O catalyzed the alkene migration. Then, heteroarylation was conducted by Friedel–Crafts type alkylation. [ABSTRACT FROM AUTHOR]

Most of the mine roadways in China are located in layered rock mass. To study the mechanical properties of a layered rock mass, the uniaxial compression test was carried out on the layered composite rock mass composed of sand and paraffin. The results showed that the locations of the high‐ and low‐strength rocks were independent of the strength of the layered composite rock. The main failure site was not affected by the combination mode. Failure was mainly concentrated in the low‐strength rock. The strengths of low‐ and high‐strength rocks determined the lower and upper limits of the strength of the layered rock, respectively. When the thickness of the layered high‐strength composite rock was >60%, the layered composite rock strength tended to be high; conversely, layered composite rock strength lowered the rock strength, and with increasing thickness, the layered composite rock strength was significantly enhanced. From the perspective of energy conversion, the effect of the thickness of the high‐strength rock mass on the strength of the layered composite rock mass was analyzed. [ABSTRACT FROM AUTHOR]

Atmospheric pressure chemical ionization (APCI) is often used in the analysis of linear saturated hydrocarbons (LSHs) as this ionization technique commonly produces [M − H]+ ions in high abundance. However, APCI (along with other atmospheric pressure sources) is often impacted by in‐source oxidation, leading to a variety of ionic products. Identifying these products and understanding their mechanisms of formation is crucial for characterizing complex mixtures with substantial hydrocarbon content, such as those found in the petrochemical industry. In this study, in‐source oxidation of LSHs was observed in gas chromatography (GC) coupled to high‐resolution mass spectrometry (HRMS) via a custom‐built APCI interface. Studies showed that the abundance of these oxidized ions correlated positively with atmospheric water, yet occurred without the inclusion of water‐based oxygen as judged by experiments with stable isotope‐labeled water. The oxidation of LSHs was further influenced by the reactive species in the ionization atmosphere. Fragmentation data using stable isotope‐labeled LSH standards unveiled multiple structurally unique ions with one or more oxidation sites on both primary and secondary carbons. These ionic products bear resemblance to combustion byproducts, suggesting the instrumental configuration fosters plasma‐assisted combustion‐like processes that encourage the radical‐mediated oxidation of LSHs rather than generate [M − H]+. Through these investigative efforts, a mechanism analogous to combustion was proposed for the formation of LSH oxidation products in GC‐APCI‐HRMS. Data demonstrate that these ions are robustly generated in petrochemical products, allowing for proper characterization of these complex mixtures. [ABSTRACT FROM AUTHOR]

ABSTRACT Background Methods Results Conclusion Breslow thickness (BT), ulceration, and microsatellitosis are critical prognostic parameters for cutaneous melanoma staging. These parameters can vary depending on the number of tissue levels examined from individual paraffin blocks. We sought to evaluate all prognostic histopathologic parameters in melanoma for their variations between levels, taken at regular intervals, in a single study.We analyzed 40 consecutive cases of primary cutaneous (nonacral) melanoma through five hematoxylin and eosin sections, taken at 100 μm intervals, for staging and prognostic parameters.Examination of additional levels resulted in (a) an increase in BT in 47.5% (19 out of 40) of cases and (b) detection of ulceration in a further 5% (2/40). This resulted in upstaging for 20% (8 out of 40) of patients (15% because of BT, 2.5% because of ulceration, and 2.5% because of BT and ulceration). The upstaging effect was incremental, with approximately 5% of patients upstaged with each additional 100 μm interval (up to 400 μm). Incipient ulceration and epidermal consumption were infrequent (10% of cases); however, when present, ulceration was subsequently observed in half of cases. We encountered no cases where microsatellitosis was detected at deeper levels.The performance of additional tissue levels is a simple and inexpensive procedure that can improve the accuracy of staging for patients with thin (pT1) primary cutaneous melanomas. It may be pertinent for pathologists to consider additional levels for thin melanomas when a BT measurement is close to a staging threshold (e.g., within 0.1–0.3 mm for pT1a vs. pT1b, or pT1b vs. pT2a), or when incipient ulceration is encountered. [ABSTRACT FROM AUTHOR]

Rate coefficients for the reactions of OH radicals with C 3 –C 11 alkanes were determined using the multivariate relative-rate technique. A total of 25 relative-rate coefficients at room temperature and 24 Arrhenius expressions in the temperature range of 273–323 K were obtained. Notably, a new room temperature relative-rate coefficient for 3-methylheptane that had not been previously reported was determined, and the obtained kOH value (in units of 10-12 cm 3 molec. -1 s -1) was 7.71 ± 0.35. Interestingly, whilst results for n-alkanes agreed well with available structure–activity relationship (SAR) calculations of Kwok and Atkinson (1995), Neeb (2000), Wilson et al. (2006), Jenkin et al. (2018), and McGillen et al. (2020), the three cycloalkanes (cyclopentane, methylcyclopentane, cyclohexane) and one branched alkane (2,2,4-trimethylpentane) were found to be less reactive than predicted by the SAR approach. Conversely, the SAR estimates for 2,3-dimethylbutane were approximately 25 % lower than the experimental values, with the exception of those estimated by the Wilson group, highlighting that there may be additional factors that govern the reactivity of highly branched alkanes that are not captured by current SAR techniques. Arrhenius expressions (in units of cm 3 molec. -1 s -1) for the reactions of various branched alkanes with OH radicals were determined for the first time: 2-methylheptane, 1.37±0.48×10-11exp⁡-209±100/T , and 3-methylheptane, 3.54±0.45×10-11exp⁡-374±49/T. The reactivity relation of saturated alkanes with OH radicals and chlorine atoms was obtained: log⁡10k(Cl+alkanes)=0.569×log⁡10k(OH+alkanes)-3.111 (R2 = 0.86). In addition, the rate coefficients for the 24 previously studied OH + alkanes reactions were consistent with existing literature values, demonstrating the reliability and efficiency of this method for the simultaneous investigation of gas-phase reaction kinetics. [ABSTRACT FROM AUTHOR]

Widespread submarine hydrocarbon seepage can form complex fluid seepage characteristics, with submarine sediment geochemistry effectively recording seepage activities and fluid component changes due to hydrocarbon seepage. This is crucial for offshore oil and gas exploration and understanding global climate change. Therefore, using the geochemical information of submarine sediments to trace hydrocarbon seepage activities is of great significance. In order to identify the geochemical anomaly characteristics and genetic types of acid-hydrolyzed hydrocarbons in submarine sediments in the Yantai Depression of the South Yellow Sea Basin, Eastern China, and to explore the relationship between these anomalies and deep oil and gas, geochemical columnar samples were taken at 100 stations in the study area. A total of 100 sets of acid-hydrolyzed hydrocarbon data and 26 sets of carbon isotope data were analyzed. The results show that the content of acid-hydrolyzed hydrocarbons at each station is in the following order: methane (AC1) > ethane (AC2) > propane (AC3) > butane (AC4) > pentane (AC5). The determination coefficient between the saturated hydrocarbon indicators exceeds 0.9, indicating that these components have the same source. Data analysis reveals that the genetic type of hydrocarbon gases in the study area is generally thermogenic, with limited microbial contribution to saturated hydrocarbons, indicating deep oil and gas characteristics. The coincidence between the anomalous areas and geological structures indicates that the distribution of these anomalies is closely related to fault distribution. [ABSTRACT FROM AUTHOR]

Pillar[5]arene is a promising macrocyclic receptor of a chemical sensor showing shape-selective encapsulation of neutral molecules into the cavity, but the poor fluorescence properties remain a challenge. Herein, we report a pillar[5]arene coupled with 2-(2-hydroxyphenyl)benzoxazole (HBO), which displays bright fluorescence in both solution and the solid state. Owing to the excited-state intramolecular proton transfer (ESIPT) in the HBO moiety, greatly improved fluorescence is observed for the pillar[5]arene derivative in CHCl3 (Φ lum = 11%) and powder form (Φ lum = 25%). Moreover, the emission color changes from light green to blue when the powder sample is exposed to n -hexane vapor. The color change derives from variable dual emission via ESIPT and excimer-forming pathways, as suggested by fluorescence lifetime measurements at different wavelengths. Powder x-ray diffraction indicates that increased crystallinity and a small alteration in the solid-state structure leads to visible fluorescent chromism upon vapor encapsulation. [ABSTRACT FROM AUTHOR]

The changes and transformation laws of intermediate liquid-phase products during the anaerobic degradation of lignite by sulfate-reducing bacteria in the formation of hydrogen sulfide play an important role in supplementing and improving the existing theories on the genesis of hydrogen sulfide gas in coal mines. In this paper, H2S gas and key intermediate liquid-phase products produced during the anaerobic degradation of lignite by sulfate-reducing bacteria were detected and analyzed by gas chromatography and gas chromatography-mass spectrometry. The results showed that the process of hydrogen sulfide production from lignite degradation by sulfate-reducing bacteria can be roughly divided into four stages: slow production phase, rapid growth phase, steady production phase, and slight decline phase. In this reaction system, the SO42− concentration showed a decreasing trend, the pH value showed an increasing trend, and the ORP value decreased and then slightly increased with time. Ten volatile component types were detected during the experiment: straight-chain alkanes, branched-chain alkanes, alcohols, aldehydes, ketones, olefins, amines, lipids, acids and phenols. The key components in the intermediate liquid phase products were straight chain alkanes, straight chain alkanes, acids, alcohols, phenols and amines. PAHs, alkanes, and phenols are closely related to H2S production, while amides stimulate nitrogen production. The process is divided into three stages: hydrolysis stage, H2S gas production stage, and decay stage. Liquid-phase intermediates play an important role in the formation process of coal mine BSR hydrogen sulfide and the mechanism of coal mine H2S genesis. [ABSTRACT FROM AUTHOR]

The paper presents the application of the multi-layer perceptron regressor model for predicting the parameters of positron annihilation lifetime spectra using the example of alkanes in the solid phase. Good agreement of calculation results was found when the approach is compared with the commonly used methods, e.g., LT. The presented method can be used as an alternative quick and accurate tool for the decomposition of positron annihilation lifetime spectroscopy (PALS) spectra in general. The advantages and disadvantages of this new method are discussed. We show the preliminary results where the trained network can give better outcomes than the results yielded by programs based on an analysis of a single PALS spectrum. [ABSTRACT FROM AUTHOR]

To reduce carbon emissions and address environmental concerns, the aviation industry is exploring the use of sustainable aviation fuel (SAF) as an alternative to traditional fossil fuels. In this context, bio‐alkane is considered a potentially high‐value solution. The present study focuses on the enzymes acyl‐acyl carrier protein [ACP] reductase (AAR) and aldehyde‐deformylating oxygenase (ADO), which are crucial enzymes for alka(e)ne biosynthesis. By using protein engineering techniques, including semi‐rational design and site‐directed mutagenesis, we aimed to enhance the substrate specificity of AAR and improve alkane production efficiency. The co‐expression of a modified AAR (Y26G/Q40M mutant) with wild‐type ADO in Escherichia coli significantly increased alka(e)ne production from 28.92 mg/L to 167.30 mg/L, thus notably demonstrating a 36‐fold increase in alkane yield. This research highlights the potential of protein engineering in optimizing SAF production, thereby contributing to the development of more sustainable and efficient SAF production methods and promoting greener air travel. [ABSTRACT FROM AUTHOR]

Acetone serves as an important solvent and building block for the chemical industry, but the current industrial synthesis of acetone is generally accompanied by the energy-intensive and costly cumene process used for phenol production. Here we propose a sustainable route for acetone synthesis via propane wet reforming at a moderate temperature of 350 oC with the use of platinum-tin nanoparticles supported on γ-aluminium oxide (PtSn/γ-Al2O3) as catalyst. We achieve an acetone productivity of 858.4 μmol/g with a selectivity of 57.8% among all carbon-based products and 99.3% among all liquid products. Detailed spectroscopic and controlled experiments reveal that the acetone is formed through a tandem catalytic process involving propene and isopropanol as intermediates. We also demonstrate facile ketone synthesis via wet reforming with the use of different alkanes (e.g., n-butane, n-pentane, n-hexane, n-heptane, and n-octane) as substrates, proving the wide applicability of this strategy. The authors propose a sustainable route for acetone synthesis by directly reacting propane and water with PtSn nanoparticles on γ-Al2O3 as the catalyst [ABSTRACT FROM AUTHOR]

Numerous large graphs may be constructed from smaller ones, and graph operations are important in many graph theory applications. Here, we investigate the double and the strong double graphs as two graph‐theoretical procedures. Alkanes, which simply contain hydrogen (H) and carbon (C) molecules and no additional functional groups, are the most basic and simplest hydrocarbons found in organic molecules. Topological indices come in a variety. There are several degree‐based topological indices, including the Banhatti, Zagreb, Randi, and Revan indices (RI). In this paper, we compute a generic formula the first, second, and third Revan topological indices on the double graph and strong double graph of alkanes. [ABSTRACT FROM AUTHOR]

There have been several methods established for immunohistochemical labeling of the PGP 9.5 antigen in human tissue for the assessment of epidermal nerve fiber density, none of which uses neutral-buffered formalin as the preferred fixative for paraffin-embedded tissue. The literature maintains that formalin-fixed paraffin embedded tissues are unable to be used for this purpose and that other fixatives must be used due to the cross-linkages caused by formalin fixation. This study was undertaken to develop a standardized method for the use of formalin-fixed paraffin embedded tissues for immunohistochemical labeling and assessment of epidermal nerve fiber density. Formalin-fixed paraffin embedded tissues from the punch biopsies of patients suspected to have small fiber neuropathy were prepared for immunohistochemical labeling using heat-induced epitope retrieval for one hour at 92°C. The tissues were then stained with a polyclonal rabbit anti-human PGP 9.5 primary antibody. The resulting stains were then evaluated by a licensed pathologist who counted the number of epidermal nerve fibers stained and recorded the epidermal length in millimeters. Human foreskin was used as the tissue control in these studies. Satisfactory immunohistochemical labeling of epidermal nerve fibers was achieved from formalin-fixed paraffin embedded tissues through the use of heat-induced epitope retrieval. The authors of this paper have concluded that formalin-fixed paraffin embedded tissues may be used to achieve satisfactory immunohistochemical labeling for the assessment of epidermal nerve fiber density. [ABSTRACT FROM AUTHOR]

Cuticular wax is the first barrier between plants and the environment. Here, the densities of cuticular wax crystals on the petals of eight rose cultivars were determined to be sparse; the crystals were mostly granular and only a few rodshaped crystals were observed in 'Sweet'. The total contents and chemical compositions of waxes were significantly different among the rose varieties. The waxes were mainly composed of n-alkanes, iso-alananes and alkenes. Under water-loss stress, 'Diana' and 'Carola' cultivars, having high petal wax contents, had low water permeability levels, long vase lives, high relative water contents and low relative conductivity levels. However, the low wax contents of the 'Jubilance' and 'Candy Avalanche' cultivars resulted in high water permeability levels and short vase lives. Pearson correlation analyses showed the total wax content in petal epidermis was positively correlated with vase life. The data provide novel insights into the compositional variances in the cuticular waxes of rose petals and their impacts on cut rose vase lives. [ABSTRACT FROM AUTHOR]

AbstractThis study aimed to evaluate the influence of the molar ratio of urea-formaldehyde resin (UF) on formaldehyde content and the physical and mechanical properties of MDF panels. The goal was to determine the optimal composition, i.e. the one that exhibits the lowest formaldehyde content without compromising the properties. To that end, there were five treatments. They were characterized by five F:U molar ratios (0.9:1; 1.0:1; 1.1:1; 1.2:1; and 1.3:1). The panels had a nominal density of 750 kg.m−3, dimensions of 40 × 40 × 1.5 cm, 12% resin, 1% paraffin. They were produced with a pressing cycle with a temperature of 170 °C and pressure of 3.6 MPa per 10 min. The physical-mechanical properties of the panels and the formaldehyde content were determined and evaluated following the NBR 15316-2 (2019) standard. Results showed that the formaldehyde content was lower for panels produced with resin molar ratios of 0.9:1, 1.0:1, and 1.1:1, classified as E1. Panels with a resin molar ratio of 1.2:1 were classified as E2. The molar ratio of 1.3:1 exceeded the limits of the standard. Panels with resin molar ratios of 1.1:1, 1.2:1, and 1.3:1 met the standard requirements for all physical-mechanical properties of non-structural MDF for use in dry conditions. These results indicate that the most suitable UF resin molar ratio for producing MDF panels is 1.1:1. This radio provides low formaldehyde content and technological properties compatible with the reference standard. [ABSTRACT FROM AUTHOR]

Carbonylation reactions have been widely used to construct carbonyl-containing molecules or carbon enhancement reactions, which are mostly catalyzed by noble metals (Pd, Rh, Ru, Ir). In this review, we introduce the copper-catalyzed carbonylation reactions that have been developed in our group. Diverse reactions have been developed using various substrates, including the carbonylation of C–H activated alkanes, the difunctionalization of unsaturated C–C bonds, and the carbonylation of alkyl halides via the radical pathway. 1 Introduction 2 Cu-Catalyzed Carbonylation of C(sp3)–H Bonds 3 Cu-Catalyzed Carbonylative Difunctionalization of Unsaturated Bonds 4 Cu–X (H or B) Mediated Acylation of Unsaturated Bonds with Electrophiles 5 Cu–X (H or B) Mediated Carbonylation of Unsaturated Bonds 6 Cu-Catalyzed Carbonylation of Alkyl Halides 7 Other Types of Copper-Catalyzed Carbonylation Reactions 8 Conclusion and Outlook [ABSTRACT FROM AUTHOR]

This paper is a combined experimental and modeling study aimed at exploring the densities, sound speeds, and refractive indices of the ternary system MTBE + n-hexane + cyclohexane and its binary subsystems at a temperature of 298.15 K under ambient pressure conditions. Experimental data were used to derive essential properties such as excess molar volumes, excess isentropic compressibilities, and refractive index deviations. The excess and deviation properties provided invaluable insights into the interactions occurring among the mixture components. Redlich–Kister and Cibulka's equations were employed to correlate these properties for binary and ternary systems, respectively. Remarkably, the standard deviations consistently fell below the estimated uncertainties associated with the corresponding properties, attesting to the robustness of the correlations. Additionally, the Perturbed Chain Statistical Associating Fluid Theory was applied to model the density of both binary and ternary mixtures. The study also compared Schaaff's collision factor theory and Nomoto's relation in their ability to predict sound speeds for the investigated mixtures. Various mixing rules, including Lorentz-Lorenz, Gladstone-Dale, Laplace, and Eykman, were employed to model the refractive indices of the mixtures. The efficacy of these models in predicting the properties was evaluated using the average absolute percentage deviation between the experimental and calculated values. The modeled densities matched well with the experimental data, with overall deviations of 0.19 %, 0.38 %, and 0.25 % for the binary systems MTBE + n-hexane, MTBE + cyclohexane, and n-hexane + cyclohexane, respectively, and 0.21 % for the ternary system MTBE + n-hexane + cyclohexane. Notably, Nomoto's relation exhibited superior performance in predicting both binary (overall deviation of 0.65 %) and ternary (deviation of 1.10 %) sound speeds. In contrast, any of the four tested mixing rules performed equally well for predicting binary and ternary refractive indices. This work contributes to the understanding of interactions between components in mixtures. It also provides valuable data for petrochemical and environmental engineers involved in designing extraction processes, processing equipment, and formulating gasoline blends that meet the industry's rigorous standards and align with environmental sustainability goals. [ABSTRACT FROM AUTHOR]

Hexane (called 'technical hexane' in this report) is authorised for use as an extraction solvent in the production of foodstuffs and food ingredients under Directive 2009/32/EC. Following a request from the European Commission, EFSA assessed the need for a re‐evaluation of its safety, which was addressed by the Scientific Committee on Food (SCF) in 1996. To this end, EFSA focused on the composition of technical hexane, its established and potential toxicological adverse effects and the potential exposure of consumers. Technical hexane is defined in the Directive as 'a commercial product consisting essentially of acyclic saturated hydrocarbons containing six carbon atoms and distilling between 64°C and 70°C'. Specifications, including the identity and fraction of constituents, are not defined. n‐Hexane is reported to be the main constituent. Impurities may be of concern, as they may be transferred to the extracted food, depending on their physicochemical properties and the extraction procedure. An exposure assessment based on regulatory limits showed that the exposure of infants, toddlers and other children may be higher than that considered by the SCF. Regarding genotoxicity, EFSA reiterated the absence of concern. The information provided by the 90‐day study in rats considered by the SCF was no longer considered sufficient to adequately conclude on the safety of technical hexane. Moreover, as n‐hexane is absorbed in humans, additional toxicity studies exploring more end points may be needed. A scoping literature search showed that recent toxicological information on the safety of technical hexane is available, although its relevance was not appraised during this activity. EFSA concluded that there is a need for a re‐evaluation of the safety of the use of technical hexane as an extraction solvent in the production of foodstuffs and food ingredients. [ABSTRACT FROM AUTHOR]

To study the impact of faults on the enrichment and mobility of shale oil in the Gulong area, representative rock samples were selected in this paper. Based on geochemical data and chemical kinetics methods, coupled with shale oil enrichment and mobility analysis techniques, the shale oil generation quantity and in situ oil content were evaluated from the perspectives of shale oil generation and micro migration, and the mobility of shale oil was revealed. At the same time, the hydrocarbon expulsion efficiency (HEE) of shale was qualitatively and quantitatively characterized, combined with the development of faults. The research results indicate that the study area mainly develops organic-rich felsic (ORF)/organic-containing felsic (OCF) shale, their proportion in both wells exceeds 65%, and the resource amount is the largest in this type of lithofacies. The development of a fault controls the enrichment of shale oil, and the in situ oil content and oil saturation index (OSI) of the shale in well Y58, which is close to the fault, are significantly worse than those in well S2. Well Y58 has 9.52 mg/g and 424.83 mg/g TOC respectively, while well S2 has 11.34 mg/g and 488.73 mg/g TOC respectively. The fault enhanced the migration of shale oil, increasing the efficiency of oil expulsion. As a result, the components with weak polarity or small molecules, such as saturated hydrocarbons and low carbon number n-alkanes, are prone to migration, reducing the mobility of shale oil. [ABSTRACT FROM AUTHOR]

With a growing number of PCMs and new, suitable PCM candidates, an overview is not only important, but also increasingly complex. Classification of PCM was thus changed significantly in the past decades. A review of classification of PCMs from recent years shows that not only different classification criteria are used, but more important that they are often mixed, used inconsistently, even without a clear goal. Focusing on the main goal of current classification schemes, to give an overview of the material options for the search for new, suitable PCM candidates, including already established PCMs, a consistent classification is developed in a desktop study. For this, first, the general options for classification criteria are reviewed, and then the appropriate ones selected. Then, based on them a new, revised PCM classification is suggested. It is specifically detailed with regard to mixtures; for binary mixtures it is based on a literature review performed within the study. The result also stresses the importance of specific R&D: for pure substances the sources and the chemical modification, and for mixtures their optimization by new compositions, additives, etc. [ABSTRACT FROM AUTHOR]

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To mitigate the losses due to fall armyworm (FAW) infestation in maize, chemical pesticides had been the first choice and widely used as an emergency response. However, it comes with attendant health effect. This necessitates the development of plant based effective and safer pesticides. This research investigate response of fall armyworm larvae when they are exposed to crude and partially purified Tithonia diversifolia leaf extract. Chemical constituent of the extract was identified using NIST08.LIB library spectra provided by the software on a GC-MS system and FTIR analysis was done using KBr pellet technique with a resolution and scanning speed of 4 cm−1 and 2 mm/s. Dose dependent toxicity assay of T. diversifolia extracts on FAW at different growth stages under controlled environment in laboratory, followed by its effect under phytotron were examined against control and azadirachtin from neem. The GC-MS of the butanol eluent revealed 20 compounds out of which the major ones being beta-d-glucopyranoside, methyl (15.225 %) palmitic acid, TMS derivative (10.98 %) and hexadecanoic acid, 2-[(trimethylsily)oxy]-, methyl ester (8.75 %). The FT-IR spectroscopic analysis of the butanol eluent of T. diversifolia leaf extract revealed the presence of alcohols, phenols, aldehydes, ketones, alkanes and primary amines. The butanol eluent and crude extract caused 96 % mortality at neonate and first instar FAW larvae. The toxic and repellant effects revealed by diet bioassay and phytotron experiment respectively suggest that butanol eluent of T. diversifolia leaf extract could be a good and effective target for biopesticide production against FAW. [ABSTRACT FROM AUTHOR]

Alkane dehydrogenation to alkene represents a promising alternative route for conventional petroleum cracking processes heavily reliant on fossil resources. This Concept outlines the latest advancements of novel alkane dehydrogenation routes that offer potential solutions to intrinsic problems existing in routine direct dehydrogenation or oxidative dehydrogenation reactions, including CO2 assisted alkane dehydrogenation, chemical looping alkane oxidative dehydrogenation, dual‐path dehydrogenation and auto‐accelerated multiple alkane dehydrogenation route. These novel reaction routes exhibit unique advantages in enhancing the activity, selectivity and stability of the alkane dehydrogenation reaction system. The rational design of novel catalysts and proper choice of the reaction condition that well‐fitted these reaction routes is the key for achieving highly efficient and stable alkane dehydrogenation process. These present examples in this manuscript also highlight the importance of fundamental in‐depth understandings on the mechanism and structure‐function relations, which is the foundation for developing novel alkane dehydrogenation routes for practical applications. [ABSTRACT FROM AUTHOR]

Taking Gonghe oil shale as raw material, the rapid pyrolysis experiment was carried out using the Py-GC/MS device under different atmospheres. The effects of different pyrolysis atmospheres on the rapid pyrolysis products of Gonghe oil shale were studied. The results show that the H2 atmosphere can not only increase the content of saturated hydrocarbons and reduce the content of unsaturated hydrocarbons but also reduce the content of oxygen-containing heterocyclic compounds. This may be because more H free radicals under the H2 atmosphere are produced to react with the free radical fragments formed by kerogen decomposition. The coupling between H free radicals and free radical fragments can prevent the polymerization among macromolecular free radicals and inhibit the generation of heavy byproducts, which can promote the kerogen pyrolysis and increase the release of volatile matter. In addition, the pyrolysis atmosphere is conducive to the deoxygenation of oxygen-containing heterocyclic compounds to a certain extent. [ABSTRACT FROM AUTHOR]

In this study, a novel approach for the tertiary α‐alkylation of ketones using alkanes with electron‐deficient C─H bonds is presented, employing a synergistic catalytic system combining inexpensive copper salts with aminocatalysis. This methodology addresses the limitations of traditional alkylation methods, such as the need for strong metallic bases, regioselectivity issues, and the risk of over alkylation, by providing a high reactivity and chemoselectivity without the necessity for pre‐functionalized substrates. The dual catalytic strategy enables the direct functionalization of C(sp3)─H bonds, demonstrating remarkable selectivity in the presence of conventional C(sp3)─H bonds that are adjacent to heteroatoms or π systems, which are typically susceptible to single‐electron transfer processes. The findings contribute to the advancement of alkylation techniques, offering a practical and efficient route for the construction of C(sp3)─C(sp3) bonds, and paving the way for further developments in the synthesis of complex organic molecules. [ABSTRACT FROM AUTHOR]

In mass production, injection molding plays a vital role in manufacturing various parts with complex settings. As perfluoroalkoxy alkane (PFA) injection‐molded products are widely used in immersion system, dimensional quality needs more attention. However, there is limited research on the dimension defects of PFA injection‐molded products. This study focused on the influence of mold design and process parameters on PFA part shrinkage, using mold flow simulation and orthogonal testing separately. Several gate locations and sizes were simulated to minimize shrinkage in mold design. Displacements varied with gate locations, and shrinkage decreased with larger gate sizes. The Taguchi method analyzed process parameters' impact on shrinkage. The results indicated that the injection rate had the most significant effect on the shrinkage of tube length, while melt temperature, holding pressure, and screw speed affected the shrinkage of tubes' outside diameter. Different flow directions exhibited variance in shrinkage. Using max–min normalization, the two shrinkage values reached 0.00972, whereas the smallest value obtained in the orthogonal experiment was 0.1545 in run 3. Thus, optimizing mold design and process parameters were two effective methods to reduce shrinkage. This study reduced shrinkage and improved the quality of PFA injection molding parts for semiconductor systems. [ABSTRACT FROM AUTHOR]

The chemically inert nature of fully saturated hydrocarbon backbones endows vinyl polymers with desirable durability, but it also leads to their significant environmental persistence. Enhancing the sustainability of these materials requires a pivotal yet challenging shift: transforming the inert backbone into one that is degradable. Here, we present a versatile platform for mechanochemically editing the fully saturated backbone of vinyl polymers towards degradable polymer chains by integrating cyclobutene‐fused succinimide (CBS) units along backbone through photo‐iniferter reversible addition‐fragmentation chain‐transfer (RAFT) copolymerization. Significantly, the evenly insertion of CBS units does not compromise thermal or chemical stability but rather offers a means to adjust the properties of polymethylacrylate (PMA). Meanwhile, reactive acyclic imide units can be selectively introduced to the backbone through mechanochemical activation (pulse ultrasonication or ball‐milling grinding) when required. Subsequent hydrolysis of the acyclic imide groups enables efficient degradation, yielding telechelic oligomers. This approach holds promise for inspiring the design and modification of more environmentally friendly vinyl polymers through backbone editing. [ABSTRACT FROM AUTHOR]

Background: The prevalence of sarcopenia is increasing in worldwide with accelerated aging process. The high dietary protein intakes are associated with improved muscle mass and strength especially in Asian countries. However, there are few researches on amino acid levels or mechanism exploration. We conducted a case-control study to explore the amino acid metabolic characteristics and potential mechanism of elderly women with sarcopenia using targeted amino acid metabolomics approach combined with an analysis of dietary intake. Methods: For our case-control study, we recruited women (65–75 y) from a Shanghai community with 50 patients with sarcopenia and 50 healthy controls. The consensus updated by the Asian Working Group on Sarcopenia in 2019 was used to screening for sarcopenia and control groups. We collected fasting blood samples and evaluated dietary intake. We used the amino acid-targeted metabolomics by ultra performance liquid chromatography tandem mass spectrometry to identify metabolic differentials between the case and control groups and significantly enriched metabolic pathways. Results: The case (sarcopenia) group had a lower intake of energy, protein, and high-quality protein (P < 0.05) compared to the control (healthy) group. We identified four differential amino acids: arginine (P < 0.001) and cystine (P = 0.003) were lower, and taurine (P = 0.001) were higher in the case group. Conclusion: Low levels of arginine in elderly women are associated with a higher risk of sarcopenia. [ABSTRACT FROM AUTHOR]

The decarboxylative oxygenation of readily available carboxylic acids as well as the oxidation of alkenes and alkanes has been accomplished through visible light using g‐C3N4 as a robust and recyclable catalyst. The scalable protocol furnishes an array of aldehydes and ketones under mild reaction conditions, requiring only molecular oxygen as an oxidant. Notably, no addition of stochiometric amounts of base is required, and furthermore, the reaction proceeds efficiently open to the air. [ABSTRACT FROM AUTHOR]