bluuebunny/crossref_metadata_2025 huggingface dataset:
A study of methanol‐to‐olefins packed bed reactor performance using particle‐resolved CFD and machine learning
Authors: Zhu Li‐Tao , Kenig Eugeny Y.
Published: July 2024

In this study, particle‐resolved computational fluid dynamics (CFD) simulations were performed to analyze fluid flow, mass transport, and reaction phenomena in methanol‐to‐olefins packed bed reactors with diverse cylindrical configurations and operating conditions. Utilizing validated CFD data, data‐driven surrogate models were developed based on several representative machine learning (ML) techniques. Comprehensive training and optimization of ML model hyperparameters were performed, followed by a comparative assessment of their capabilities to predict reactor performance. Subsequently, data‐driven surrogate models together with CFD simulations were applied to optimize catalyst structure design and operating conditions. Finally, a hybrid approach was developed that couples the ML‐aided data‐driven model with a genetic algorithm‐based multi‐objective optimization. The resulting hybrid method was applied to find the Pareto‐optimal compromise between pressure drop and light olefins yield.
A Novel Shape Memory Alloy Modular Robot with Spatially Stable Structure
Authors: Xiao Junlong , Wang Michael Yu , Chen Chao
Published: July 2024

Soft robots exhibit significant flexibility but normally lack stability owing to their inherent low stiffness. Current solutions for achieving variable stiffness or implementing lock mechanisms tend to involve complex structures. Additionally, passive solutions like bistable and multistate mechanisms lack spatial stable characteristics. This study presents a novel shape memory alloy (SMA) modular robot with spatially stable structure, by utilizing gooseneck as the backbone. This is the first time that a concept of spatially stable structure is proposed. When the power is off, the robot can still maintain its current posture in three‐dimensional space and resist external disturbance. The SMA spring and gooseneck are characterized, elucidating the mechanism behind achieving spatial stability. Then, a controller based on the inverse kinematics is designed, and validated by experiments. The results demonstrate the structural stability of the robot. Specifically, it can withstand a maximum external force of 2.5 N (0.0875 Nm) when bent at an angle of 20° without consuming energy. Moreover, with the assistance of the SMA spring, this resistance capacity surpasses 5 N (0.175 Nm).
Electrolyte Design Enables Rechargeable LiFePO4/Graphite Batteries from −80 °C to 80 °C
Authors: Li Zeheng , Yao Yu‐Xing , Zheng Mengting , Sun Shuo , Yang Yi , Xiao Ye , Xu Lei , Jin Cheng‐Bin , Yue Xin‐Yang , Song Tinglu , Wu Peng , Yan Chong , Zhang Qiang
Published: July 2024

Lithium iron phosphate (LFP)/graphite batteries have long dominated the energy storage battery market and are anticipated to become the dominant technology in the global power battery market. However, the poor fast‐charging capability and low‐temperature performance of LFP/graphite batteries seriously hinder their further spread. These limitations are strongly associated with the interfacial lithium (Li)‐ion transport. Here we report a wide‐temperature‐range ester‐based electrolyte that exhibits high ionic conductivity, fast interfacial kinetics and excellent film‐forming ability by regulating the anion chemistry of Li salt. The interfacial barrier of the battery is quantitatively unraveled by employing three‐electrode system and distribution of relaxation time technique. The superior role of the proposed electrolyte in preventing Li0 plating and sustaining homogeneous and stable interphases are also systematically investigated. The LFP/graphite cells exhibit rechargeability in an ultrawide temperature range of −80 °C to 80 °C and outstanding fast‐charging capability without compromising lifespan. Specially, the practical LFP/graphite pouch cells achieve 80.2 % capacity retention after 1200 cycles (2 C) and 10‐min charge to 89 % (5 C) at 25 °C and provide reliable power even at −80 °C.
Quantum Dot‐Based FRET Nanosensors for Talin‐Membrane Assembly and Mechanosensing
Authors: Ntadambanya Audrey , Pernier Julien , David Violaine , Susumu Kimihiro , Medintz Igor L. , Collot Mayeul , Klymchenko Andrey , Hildebrandt Niko , Le Potier Isabelle , Le Clainche Christophe , Cardoso Dos Santos Marcelina
Published: July 2024

Understanding the mechanisms of assembly and disassembly of macromolecular structures in cells relies on solving biomolecular interactions. However, those interactions often remain unclear because tools to track molecular dynamics are not sufficiently resolved in time or space. In this study, we present a straightforward method for resolving inter‐ and intra‐molecular interactions in cell adhesive machinery, using quantum dot (QD) based Förster resonance energy transfer (FRET) nanosensors. Using a mechanosensitive protein, talin, one of the major components of focal adhesions, we are investigating the mechanosensing ability of proteins to sense and respond to mechanical stimuli. First, we quantified the distances separating talin and a giant unilamellar vesicle membrane for three talin variants. These variants differ in molecular length. Second, we investigated the mechanosensing capabilities of talin, i.e., its conformational changes due to mechanical stretching initiated by cytoskeleton contraction. Our results suggest that in early focal adhesion, talin undergoes stretching, corresponding to a decrease in the talin‐membrane distance of 2.5 nm. We demonstrate that QD‐FRET nanosensors can be applied for the sensitive quantification of mechanosensing with a sub‐nanometer accuracy.
Enhancing Efficiency and Durability of Perovskite Solar Cells With Chlorine‐Functionalized Fully Conjugated Porous Aromatic Framework
Authors: Jing Yege , Wang Chen , Zhu Bo , Xiao Songwen , Guan Wei , Liu Shuainan , Zhang Ning , Wen Shanpeng , Zhu Guangshan
Published: July 2024

Non‐radiative recombination, caused by trap states, significantly hampers the efficiency and stability of perovskite solar cells (PSCs). The emerging porous organic polymers (POPs) show promise as a platform for designing novel defect passivation agents due to their rigid and porous structure. However, the POPs reported so far lack either sufficient stability or clear sites of interactions with the defects. Herein, two chlorine‐functionalized, fully conjugated porous aromatic frameworks (PAFs) were constructed via a decarbonylation reaction. The chlorinated PAFs feature unique long‐range conjugated networks bearing multiple chlorine atoms, significantly improving the photovoltaic performance and stability of doped solar cells. Combined experimental and theoretical analyses confirmed the strong passivation effects of conjugated structure to the defect through Cl sites. Specifically, PAF‐159, bearing a triphenylamine moiety, demonstrated stronger Cl−Pb bonding and higher passivation efficiency due to the presence of π* anti‐bonding orbitals, which elevate the HOMO energy level and facilitate Cl−Pb charge transfer. Consequently, we obtained high‐performance PAF‐159‐doped devices with advanced PCE (24.3 %), good storage stability (retaining 86 % after 3000 hours), and good long‐term operational stability (retaining 92 % after 350 hours).
Palladium‐Catalyzed Enantioselective Migratory Hydroamidocarbonylation of Amide‐Linked Alkenes to Access Chiral α‐Alkyl Succinimides
Authors: Wang Zhen , Shen Chaoren , Dong Kaiwu
Published: July 2024

A Pd‐catalyzed asymmetric isomerization‐hydroamidocarbonylation of amide‐containing alkenes was developed, affording a variety of chiral α‐alkyl succinimides in moderate to good yields with high enantioselectivities. The key to success was introducing bulky 1‐adamentyl P‐substitution and 2,3,5,6‐tetramethoxyphenyl group into the rigid P‐chirogenic bisphosphine ligand to create stronger steric hinderance and deeper catalytic pocket. By this approach, regio‐ or stereo‐convergent synthesis of enantiomeric succinimides from the mixture of olefin isomers was achieved.
Enhancing the catalytic performance of Cu/ZnO/Al2O3 catalyst in methanol synthesis from biomass‐derived syngas with CeO2, MnO2 and ZrO2 as promoters
Authors: Simanungkalit Sabar Pangihutan , Okoye Chiemeka Onyeka , Zhang Zhezi , Wu Junzhi , Zhang Dongke
Published: July 2024

The performance of Cu/ZnO/Al2O3 (CZA) catalysts promoted by addition of CeO2, MnO2 or ZrO2 in direct methanol production from unconventional syngas was experimentally investigated. The unconventional syngas used in this study contain 25% H2, 25% CO, 20% CH4, 20% CO2 and 10% N2, representing biomass‐derived syngas cultivated from an industrial wood chips pyrolysis plant. The catalysts were synthesised using co‐precipitation technique and tested for methanol synthesis in a fixed‐bed reactor. The activity test of the catalysts showed that the addition of CeO2 or ZrO2 to the CZA catalyst improved the methanol yield, albeit with lower selectivity, whereas adding MnO2 enhanced methanol selectivity but decreased the methanol yield. ZrO2‐promoted catalyst showed the best‐improved activity and stability. The calcined and spent catalysts were characterised using X‐ray diffraction (XRD), N2 physisorption, N2O chemisorption, hydrogen temperature‐programmed reduction (H2‐TPR) and X‐ray photoelectron spectroscopy (XPS). The characterisation results indicate that the catalytic activity is dependent on Cu dispersion, Cu‐active surface area, the catalyst reducibility, Brunauer–Emmett–Teller (BET) surface area and the Cu0/Cu+ ratio. In contrast, catalyst stability was related to the proportion of Cu+ among all surface Cu species.
Covalently attached phosphonic acid‐Si2O3‐PEO polymer membranes for PEMFC applications
Authors: Gilbert Patrick , Stankovic Jovan , Galaffu Nico , Abrahams Isaac , Sullivan Alice C.
Published: July 2024

In the context of growing interest in phosphonic acid proton exchange membranes (PEMs) for fuel cell applications, we report on new PEMs containing low‐cost polyethylene oxide (PEO) covalently linked by siloxane bonds, SiOSi, to phosphonic acid (PA). Key chemistry in the formation of these membranes involves hydrolysis and condensation reactions of triethoxysilyl propyl capped PEO and pre‐hydrolyzed dimethyl phosphonatoethyltrimethoxysilane (DMPTMS) giving PEO‐Si2O3‐PA and cross‐linked chain PEO‐Si2O3‐PEO organosilsesquioxane components. The Si2O3 can enhance membrane thermal and mechanical properties. The membrane formulations were varied by (a) reagent ratios (b) PEO molecular weights or using polypropylene oxide (PPO) (c) incorporating chain extending groups methylene diphenyl diisocyanate (MDI) or hexamethylene diisocyanate (HDI). These variations provided five membrane families, one of which afforded a complete group of robust membranes with weight% x of PA, PAx in range PA0–PA33. These were studied using ATR‐FTIR, dry membrane water uptake capacity, ion exchange capacity (IEC), and conductivity from room temperature to 120°C at 100% relative humidity. Conductivity increased with PAx reaching 15 mS cm−1 at 120°C, activation energy 0.1 eV, for membrane PA33 for which thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), scanning electron microscopy (SEM), and energy dispersive X‐ray analysis (EDAX) are reported. A comparative performance of the five membrane families is presented.
Application of Cyrene solvent for the fabrication of polymethyl methacrylate, polyethyl methacrylate and composite films containing hydroxyapatite and diamonds
Authors: Wang ZhengZheng , Zhitomirsky Igor
Published: July 2024

Cyrene is a new biodegradable solvent, which represents a green alternative to many traditional toxic solvents for advanced polymers. Therefore, this investigation is motivated by interest in applications of Cyrene for polymer processing. The feasibility of solubilization of polymethyl methacrylate (PMMA) and polyethyl methacrylate (PEMA) in Cyrene is demonstrated. The ability to form relatively concentrated solutions of the high molecular mass polymers is an important factor for the formation of PMMA and PEMA films by a dip coating method. It was found that the polymer coatings provide corrosion protection of stainless steel in 30 g L−1 NaCl solutions. Another important finding is that the use of Cyrene facilitates the fabrication of stable suspensions of hydroxyapatite (HAp), microdiamond, and nanodiamond particles. Therefore, the problems of the dispersant selection for dispersion of chemically inert diamond and development of biocompatible dispersants are avoided using Cyrene. For the fabrication of composite films, HAp nanorods with reduced particle size are obtained using rutin as a chelating capping agent. Composite films containing HAp, microdiamond and nanodiamond in the PMMA or PEMA matrix are obtained. The composite films are promising for biomedical applications. It was found that the film morphology, composition and microstructure are influenced by the solvent–particle–polymer interactions and processing conditions.
Electrolyte Design for Low Temperature Lithium‐Sulfur Battery: From Different Polysulfide Conversion Mechanisms
Authors: Chen Ying , Wang Bao , Zhang Zhuangzhuang , Huang Yudai , Li Bao
Published: July 2024

With the increasing demand for large‐scale energy storage devices, lithium‐sulfur (Li−S) batteries have emerged as a promising candidate because of their ultrahigh energy density (2600 Wh Kg−1) and the cost‐effectiveness of sulfur cathodes. However, the notorious shuttle effect derived from lithium polysulfide species (LiPSs) hampers their practical application, especially at low temperature. Therefore, electrolytes with low viscosity and high conductivity are required with the advancement of next‐generation Li−S batteries. Understanding the interface structure dependent solvent electrochemistry and recognizing the existing issues relating to electrolytes are indispensable prerequisites. This review briefly summarizes the challenges to further develop the new generation of Li−S batteries, which can operate steadily at subzero temperature, including LiPSs accumulation, Li2S nucleation, lithium deposition, and so on. On the basis of the crucial role of electrolytes in solving these questions, we outline the corresponding electrolyte design strategies from the different mechanisms (solid‐liquid‐solid conversion, all‐solid‐phase conversion, and all‐liquid‐phase conversion) such as lithium salt modification, additive introduction, and introduction of strong cationic electrolytes, as well as the application of solid‐state electrolytes, and so on. Finally, we emphasize promising strategies and solutions to improve low‐temperature performance, pointing the way for the future development of maximizing extreme‐temperature electrolytes toward practical applications.
Dual benefits of NBD‐Cl fluorogenic action and sample pretreatment (SALLE) technology in the assessment of anticoagulant medication: Dabigatran in pharmaceutical capsules and plasma samples
Authors: El Hamd Mohamed A. , Mahdi Wael A. , Alshehri Sultan , Abu‐hassan Ahmed A.
Published: July 2024

Dabigatran (DBG), marketed as Pradaxa, is an anticoagulant medication prescribed for the treatment and mitigation of blood clots and to lower the risk of stroke in individuals with the heart condition known as atrial fibrillation. This medication is specifically indicated for preventing blood clots post hip or knee replacement surgeries and in patients with a prior history of clots. Compared to warfarin, dabigatran serves as a viable alternative that does not necessitate routine blood monitoring tests. The complimentary benefits associated with SALL (salting‐out assisted liquid–liquid extraction) and the fluorogenic capabilities of benzofurazan. These methods were combined to provide an affordable and sensitive DBG assaying method. The spectral strength of the yellow luminous product was examined at 533.8 nm and by adjustment of a wavelength of 474.7 nm for excitation. To assess its linearity, the calibration chart was tested across a DBG concentration range of 30–500 ng/ml. Via accurate computation based on ICH, the detection limit (LD) was determined to be 9.5 ng/ml, and the strategy can quantify the DBG to a limit of 28 ng/ml. To ensure success, various crucial parameters for method implementation have been extensively studied and adapted. The validation of the strategy adhered to the policies outlined by ICH, affirming its precision in quantifying DBG in capsules. Furthermore, the inclusion of SALLE steps facilitated accurate monitoring of DBG in plasma samples, introducing a unique and advanced methodology for analyzing this compound in biological samples.
A new fabricated hetero‐atom doped carbon quantum dots as a fluorescent probe for metronidazole determination using garlic and red lentils with microwave assistance
Authors: El‐Semary Mariam S. , Belal Fathalla , El‐Emam Ali A. , El‐Shaheny Rania N. , El‐Masry Amal A.
Published: July 2024

Biocompatible and highly fluorescent phosphorus, nitrogen and sulfur carbon quantum dots (P,N,S‐CQDs) were synthesized using a quick and ecologically friendly process inspired from plant sources. Garlic and red lentils were utilized as natural and inexpensive sources for efficient synthesis of the carbon‐based quantum dots using green microwave‐irradiation, which provides an ultrafast route for carbonization of the organic biomass and subsequent fabrication of P,N,S‐CQDs within only 3 min. The formed P,N,S‐CQDs showed excellent blue fluorescence at λem = 412 nm when excited at 325 nm with a quantum yield up to 26.4%. These fluorescent dots were used as a nano‐sensor for the determination of the commonly used antibacterial and antiprotozoal drug, metronidazole (MTR). As MTR lacked native fluorescence and prior published techniques had several limitations, the proposed methodology became increasingly relevant. This approach affords sensitive detection with a wide linear range of 0.5–100.0 μM and LOD and LOQ values of 0.14 μM and 0.42 μM, respectively. As well as, it is cost‐effective and ecologically benign. The MTT test was used to evaluate the in‐vitro cytotoxicity of the fabricated P,N,S‐CQDs. The findings supported a minimally cytotoxic impact and good biocompatibility, which provide a future perspective for the applicability of these CQDs in biomedical applications.
Construction of UCNPs‐aptamer‐AuNPs luminescence energy transfer probe for ratio detection of Staphylococcus aureus
Authors: Cheng Juanjuan , Wei Xinru , Wang Lun , Chen Hongqi
Published: July 2024

A ratio luminescence probe was developed for detecting Staphylococcus aureus (S. aureus) based on luminescence energy transfer (LET) using double‐wavelength emission (550 nm and 812 nm) upconversion nanoparticles (UCNPs) as donor, gold nanoparticles (AuNPs) as acceptor and the aptamer for S. aureus as the specific recognition and link unit. The LET process could cause luminescence quenching because of the spectral overlap between the acceptor and the donor at 550 nm. In the presence of S. aureus, S. aureus selectively combined with the aptamer, and the AuNPs left the surface of UCNPs, which weakened the quenching effect and restored the luminescence of UCNPs. Based on this, the ratio detection was realized by monitoring the change of the luminescence signal of the probe at 550 nm and taking the luminescence signal at 812 nm as the reference signal. Crucially, the probe has a fast reaction speed, with a reaction time of 25 min, and the detection of S. aureus is realized in the concentration range of 5.0 × 103–3.0 × 105 CFU/ml, with the detection limit of 106 CFU/ml. Therefore, the ratio probe has great potential for detecting of S. aureus in food because of its high sensitivity, fast speed and good selectivity.
Inhibitory Activity of Compounds Isolated from Ligustrum robustum (Roxb.) Against HepG2 Liver Cancer Cells: Isocubein and 4‐(2‐Acetoxyethyl)phenol as Potential Candidates
Authors: Nong Thi Anh Thu , Le Thi Thanh Huong , Vu Van Tuan , Nguyen Mai Quynh , Can Dinh Quang Hung , Dong Thi Hoang Yen , Nguyen Thi Phuong Thao , Hoang Van Hung , Nguyen Phu Hung
Published: July 2024

Many herbal species in the genus Ligustrum have been shown to contain compounds with anti‐cancer biological activity. This study aimed to isolate some compounds from the leaves of Ligustrum robustum (Roxb.) Blume (L. robustum) and evaluate their effects against liver cancer cells. As a result, seven previously reported compounds (1–7) were isolated, including four lignans (1–4) and three phenolic derivatives (5–7). The structures of these compounds were determined using spectroscopic methods and comparison with reported data. All isolates were assessed for their inhibitory effects on HepG2 liver cancer cells. Screening results revealed that two compounds, isocubein (3) and 4‐(2‐acetoxyethyl)phenol (7), exhibited strong inhibitory activity against cell proliferation, with IC50 values of 3.1±0.9 and 4.5±14 μM, respectively. Further analyses demonstrated that both compounds could suppress the formation and development of 3D tumorspheres in terms of quantity and size. Additionally, isocubein (3) and 4‐(2‐acetoxyethyl)phenol (7) exhibited the ability to inhibit the migration of HepG2 cells. This study represents the first report on the inhibitory activity against HepG2 liver cancer cells of extracts and isolated compounds from L. robustum, providing valuable information for future research aiming to develop products for liver cancer treatment.
GC/MS Analysis and Compounds Isolation of Lycium shawii Petroleum Ether Seeds Extract for Regulating Nrf2/OH‐1 Pathway, Oxidative Stress, and Inflammation in Acrylamide‐Induced Infertility in Female Rats
Authors: Nasr Noha N. , Elbatanony Marwa M. , Hamed Manal A.
Published: July 2024

Acrylamide is formed during heating of starchy foods at high temperature and induces reproductive toxicity. Our study is designed to evaluate the chemical constitution and anti‐infertility effect of Lycium shawii seeds extract on female rats. Nutritional profile was estimated, and major active compounds were isolated and identified. Biological evaluation of L. shawii extract on female rats was performed and measured by prolactin, follicular stimulating hormone, luteinizing hormone, estradiol, progesterone, tumor necrosis factor‐α, interleukin‐6, heme oxygenase‐1, nuclear respiratory factor‐2, malondialdehyde, glutathione, DNA fragmentation, and ovarian architecture parameters. Data revealed the presence of ɤ‐tocopherol, vitamin C, magnesium, and 38 bioactive compounds in the fractions of L. shawii. Major constituents from gas chromatography/mass spectrometry (GC/MS) were 9, 12‐octadecadienoic acid (Z, Z), methyl ester, 2,7‐octadiene‐1,6‐diol, and 2,6‐dimethyl hydroxy linalool but further five compounds (i.e., lupenone, betulin, lupeol acetate, stigmasterol, and β‐sitosterol‐d‐glucoside) were isolated and identified. Treatment of rats with the seeds extract post acrylamide administration ameliorated female sex hormones, oxidative stress, inflammation, DNA damage, and ovarian structure. In conclusion, L. shawii petroleum ether seeds fraction may be considered a nutraceutical agent for improving infertility disorders, oxidative stress, and inflammation due to its richness with biologically active phenolic and flavonoids compounds.
Structure‐Guided Drug Design Targeting Abl Kinase: How Structure and Regulation Can Assist in Designing New Drugs
Authors: Martins. Diego M. , Fernandes Philipe O. , Vieira Lucas A. , Maltarollo Vinícius G. , Moraes Adolfo H.
Published: July 2024

The human protein Abelson kinase (Abl), a tyrosine kinase, plays a pivotal role in developing chronic myeloid leukemia (CML). Abl's involvement in various signaling pathways underscores its significance in regulating fundamental biological processes, including DNA damage responses, actin polymerization, and chromatin structural changes. The discovery of the Bcr‐Abl oncoprotein, resulting from a chromosomal translocation in CML patients, revolutionized the understanding and treatment of the disease. The introduction of targeted therapies, starting with interferon‐alpha and culminating in the development of tyrosine kinase inhibitors (TKIs) like imatinib, significantly improved patient outcomes. However, challenges such as drug resistance and side effects persist, indicating the necessity of research into novel therapeutic strategies. This review describes advancements in Abl kinase inhibitor development, emphasizing rational compound design from structural and regulatory information. Strategies, including bivalent inhibitors, PROTACs, and compounds targeting regulatory domains, promise to overcome resistance and minimize side effects. Additionally, leveraging the intricate structure and interactions of Bcr‐Abl may provide insights into developing inhibitors for other kinases. Overall, this review highlights the importance of continued research into Abl kinase inhibition and its broader implications for therapeutic interventions targeting kinase‐driven diseases. It provides valuable insights and strategies that may guide the development of next‐generation therapies.
Heme‐Enzymatic Biocatalysis for C−C or C−N Bond Formation
Authors: Weng He , Huang Meilan
Published: July 2024

The C−C or C−N bond formation is critical in the synthesis of pharmaceuticals and other value‐added products; however, traditional metal‐catalysed synthesis has brought about environmental and resource issues. A plethora of engineered heme‐dependent enzymes, such as cytochrome P450, have exhibited enormous potential in biocatalysis for C−C or C−N bond formation. With the development of computational and spectroscopic methods, the mechanisms underlying heme‐catalysed C−C or C−N bond formation have been extensively investigated. In the presence of carbene or nitrene precursor, an active iron porphyrin carbene (IPC) or iron porphyrin nitrene (IPN) is formed, which subsequently reacts with a second substrate to form new C−C or C−N bonds. Apart from the widely studied IPC/IPN‐facilitated catalytic pathway, halide‐initiated radical cyclization pathway and Cpd‐I‐catalysed diradical pathway have also been proposed. These mechanistic insights have enabled rational engineering and de novo design of heme enzymes. This review summarises recent mechanistic advances in heme enzymatic C−C or C−N bond formation and presents successful applications of mechanism‐based enzyme design. It would shed light on the development of tailored biocatalysts for the synthesis of complex but valuable industrial products.
Understanding the Self‐Reconfiguration Properties of a Novel Spinel‐Type High‐Entropy Catalyst
Authors: Qin Chunrun , Wang Chao , Liao Mingzheng , Du Yanping , Gao Jiming , Wu Yanbing
Published: July 2024

High‐entropy oxides (HEOs), known for their excellent thermodynamic stability due to their high‐entropy effect. In this study, high‐entropy (NixAlCoCrMn)3O4 oxides of spinel structure were synthesized by sol‐gel method. This HEO has a self‐reconfiguration properties in the reaction, and its internal Ni and Co ions exsolve to form a uniformly dispersed NiCo alloy on the surface. The increase of Ni content promotes the exsolution of Ni and Co ions from the interior of the spinel. The high‐entropy with a large number of oxygen vacancies not only possesses a stable structure to limit the migration of NiCo alloys, but also enhances the hydrogen overflow. In the CO methanation reaction, it has 99 % CO conversion with 87 % methane selectivity within 400 °C, and it is stable in the long‐term test. This work provides a new idea for exploring the use of high‐entropy materials to improve thermal catalytic activity and stability.
Synthesis of Chabazite Zeolite via Faujasite Conversion Using 1‐(1‐Methylpropyl)‐4‐aza‐1‐azoniabicyclo[2.2.2]octane Hydroxide as Cost‐Effective Structure‐Directing Agent
Authors: Wu Ziwei , Sun Han , Deng Quanzheng , Han Lu , Lv Penggang , Chen Haijun , Duan Hongchang , Zhu Kake
Published: July 2024

Cu‐exchanged chabazite zeolite is the state‐of‐the‐art used on‐board catalyst for NOx selective reduction by ammonium (NH3‐SCR), and the zeolite is currently generated in the presence of N,N,N‐trimethyl‐1‐adamantylammonium hydroxide, serving as organic structure‐directing agent (OSDA). The expensiveness of this OSDA increases the catalyst production cost, while its low degradability brings about environmental concerns in post treatment of waste water. Here, a new type OSDA, 1‐(1‐methylpropyl)‐4‐aza‐1‐azoniabicyclo[2.2.2]octane hydroxide, is proposed to direct Faujasite‐to‐Chabazite inter‐zeolite conversion and generate chabazite with Si/Al ratio up to 7.2. The obtained zeolite possesses high hydrothermal stability for the high crystallinity, siliceous framework and low concentrations of Si(2Si, 2Al) sites. The Cu‐form catalyst exhibits better catalytic performance in standard NH3‐SCR process for the tiny crystallite size (35–258 nm) and formation of highly dispersed copper sites. The synthesis offers a new type of OSDA to fabricate zeolites and expands the toolkit to regulate their physicochemical properties.
Conversion of 5‐Hydroxymethylfurfural and Carbohydrates to 2,5‐Diformylfuran Over MoOx/Biochar Catalysts
Authors: Yang Delong , Du Ziting , Dai Jinhang , Cao Qingya , Xiang Zhaobao , Chen Gang , Li Fukun
Published: July 2024

Here, a series of nitrogen‐doped carbon (NC) supported transition metal oxide catalysts were prepared by pyrolysis of chitosan‐metal salt mixtures for the efficient synthesis 2,5‐diformylfuran (DFF) from 5‐hydroxymethylfurfural (HMF) and fructose. Among them, supported molybdenum‐based species on nitrogen‐doped carbon (Mo/NC) exhibited excellent activity and selectivity for selective oxidation of HMF to DFF. The presence of nitrogen species reduces the electron cloud density around the Mo species, thereby improving the catalytic activity. Moreover, the interaction between active MoO2 species on the catalyst surface and NC ensured the stability of the catalyst, resulting in no significant loss of activity after four catalytic cycles. 99.5 % and 55.1 % yields of DFF with full conversion were obtained from HMF and fructose respectively over Mo/NC‐chitosan‐600 in DMSO under ambient air. In order to enhance DFF yield from fructose, sulfonate groups were introduced into Mo/NC‐chitosan‐600 catalyst, leading to the highest DFF yield of 70.2 %. In addition, this catalyst also allowed 10.0%, 22.9% and 33.3% DFF yields from glucose, sucrose and inulin, respectively.
Network traffic classification based‐ masked language regression model using CNN
Authors: P. L. Steffi , Emmanuel W. R. Sam , Rani P. Arockia Jansi
Published: July 2024

Network traffic classification task has become increasingly challenging. The objective behind this classification is to effectively handle bandwidth, prioritize certain types of traffic, enhance application performance, and more. In recent times, there has been a surge in exploring deep learning approaches for network traffic categorization. However, these models demand substantial volumes of training data. Additionally, many classification methods necessitate manual feature extraction, a process that is not only time‐consuming but also laborious. Addressing the challenge of identifying optimal features to enhance classification accuracy, this work introduces a deep learning model designed for effective classification of network traffic. The model comprises the following key stages: (a) The dataset involves TCP flows captured from running different network stress and web crawling tools, (b) Pre‐processing for removal of anomalies and noises using Label Encoder and OneHotEncoder, (c) The utilization of K‐BERT for feature extraction aims to retrieve local spatial–temporal features, (d) feature selection using linear regression model (LASSO) and finally, and (e) The classification of network traffic involves neural network. The model serves to enhance the precision and efficiency of the classification mission. Through comprehensive experimental analysis, it was observed that the Masked Language‐based Regression model surpassed other referenced models, achieving an exceptional accuracy of 0.97.
Back to the future: Using herbarium specimens to isolate nodule‐associated bacteria
Authors: Petipas Renee H. , Antoch Amanda A. , Eaker Ashton A. , Kehlet‐Delgado Hanna , Friesen Maren L.
Published: July 2024

Herbarium specimens are increasingly being used as sources of information to understand the ecology and evolution of plants and their associated microbes. Most studies have used specimens as a source of genetic material using culture‐independent approaches. We demonstrate that herbarium specimens can also be used to culture nodule‐associated bacteria, opening the possibility of using specimens to understand plant–microbe interactions at new spatiotemporal scales. We used historic and contemporary nodules of a common legume, Medicago lupulina, to create a culture collection. We were able to recover historic bacteria in 15 genera from three specimens (collected in 1950, 2004, and 2015). This work is the first of its kind to isolate historic bacteria from herbarium specimens. Future work should include inoculating plants with historic strains to see if they produce nodules and if they affect plant phenotype and fitness. Although we were unable to recover any Ensifer, the main symbiont of Medicago lupulina, we recovered some other potential nodulating species, as well as many putative growth‐promoting bacteria.
Species turnover and functional nestedness constitute the geographic patterns of stream diatoms in the Three Parallel Rivers region, China
Authors: Hu Jiancheng , Xu Nuo , Ao Sicheng , Tan Lu , Li Xianfu , Cai Qinghua , Tang Tao
Published: July 2024

Unraveling biodiversity patterns and their driving processes is paramount in ecology and biogeography. However, there remains a limited understanding regarding the underlying mechanisms of community assembly, particularly in alpine streams where significant elevation gradients and habitat heterogeneity exist. We investigated the patterns and drivers of beta diversity, explicitly focusing on taxonomic and functional diversity, in the three parallel rivers region in China. We employed a beta diversity partitioning approach to examine the turnover and nestedness components of beta diversity and further deconstructed the diatom community into attached and unattached groups. Our results revealed distinct diversity patterns and drivers for taxonomic and functional beta diversity. Specifically, taxonomic beta diversity was mainly driven by the turnover component affected by spatial processes, whereas functional beta diversity was dominated by the nestedness component affected by environmental processes. Furthermore, our analysis of the division of the whole communities demonstrated that the varying responses of benthic diatoms with different attached abilities to environmental filtering, dispersal limitation, and directional flow were the essential reasons for shaping the biodiversity patterns of species turnover and functional nestedness in the alpine stream. Our findings suggested that partitioning beta diversity and dividing the entire community can more deeply infer underlying community assembly processes, thereby providing valuable insights into understanding biodiversity patterns, drivers, and conservation strategies.
Hybridization in palms (Arecaceae)
Authors: Bacon Christine D. , Hill Adrian
Published: July 2024

Hybridization has significant evolutionary consequences across the Tree of Life. The process of hybridization has played a major role in plant evolution and has contributed to species richness and trait variation. Since morphological traits are partially a product of their environment, there may be a link between hybridization and ecology. Plant hybrid species richness is noted to be higher in harsh environments, and we explore this hypothesis with a keystone tropical plant lineage, palms (Arecaceae). Leveraging a recent literature review of naturally occurring palm hybrids, we developed a method to calculate hybrid frequency, and then tested if there is phylogenetic signal of hybrids using a phylogeny of all palms. Further, we used phylogenetic comparative methods to examine the interaction between hybrid frequency and presence in dry environments, on islands, and the species richness of genera. Phylogenetic generalized least squares models had stronger support than models of random association, indicating phylogenetic signal for the presence of hybrids in dry and island environments. However, all p‐values were >.05 and therefore the correlation was poor between hybridization and the trait frequencies examined. Presence in particular environments are not strongly correlated to hybrid frequency, but phylogenetic signal suggests a role in its distribution in different habitats. Hybridization in palms is not evenly distributed across subfamilies, tribes, subtribes yet plays an important role in palm diversity, nonetheless. Increasing our understanding hybridization in this economically and culturally important plant family is essential, particularly since rates are projected to increase with climate change, reconfiguring the dynamics and distribution of biodiversity.
Photochemical Synthesis and Characterization of a Uranyl Peroxide Triethylamine N‐Oxide Dimer
Authors: Lottes Brett , Carter Korey P.
Published: July 2024

A μ‐peroxido‐bis[di‐triethylamine N‐oxide‐dichloro‐dioxouranium] complex with the formula [(UO2)2O2(ON(CH2CH3)3)4Cl2] (complex 1) was synthesized photochemically from a reaction containing uranyl chloride, triethylamine, and H2O2. The photochemical breakdown of H2O2 yielded ⋅OH radicals that reacted with triethylamine to form triethylamine N‐oxide (TEAO) in situ, which subsequently coordinated to UO22+ cations in a monodentate fashion via the N‐oxide functional groups. Structure determination using single crystal X‐ray diffraction revealed that TEAO ligands also formed intermolecular and intramolecular hydrogen bonds with UO22+ and peroxide moieties, and the intermolecular H‐bonding interactions displayed a temperature dependence with Oyl ‐ ‐ H−C and Oper ‐ ‐ H−C distances shortening at 100(2) K by ca. 0.1 Å. Raman spectroscopy data were collected on single crystals of 1 and peak fitting of these results allowed for assignments of peaks including C−N stretches for TEAO ligands bound to UO22+ cations at 696.8 cm−1, 717.8 cm−1, and 776.5 cm−1, which are redshifted by 30–40 cm−1 when compared to free triethylamine. UO22+ ν1 and O22− ν1 stretches, U−Oper stretches, and notably, U−Cl stretches were all identified as well, with U−Cl modes at 198.9 cm−1 and 212.1 cm−1 substantially redshifted compared to the uranyl chloride starting material.
Does powerlessness motivate men and women to endorse sexism?
Authors: Hammond Matthew D. , Overall Nickola C. , Sibley Chris G.
Published: July 2024

People who feel powerless are motivated to gain power, which may include men endorsing hostile sexism to affirm societal power or women endorsing benevolent sexism to affirm power in relationships. We used four waves of an annual longitudinal panel sample (N = 58,405) to test whether within‐person changes in powerlessness predicted subsequent changes in men's hostile sexism and women's benevolent sexism. Results from a random intercept cross‐lagged panel model indicated that men who generally felt more powerless tended to endorse hostile sexism, but within‐person tests did not provide directional evidence linking men's powerlessness with hostile sexism. By contrast, women who generally felt more powerless endorsed benevolent sexism more strongly, and small within‐person lagged effects indicated that upward deviations in women's powerlessness in 1 year predicted stronger endorsement of benevolent sexism the following year. These results provide novel evidence that powerlessness motivates women's benevolent sexism and their toleration of gender inequalities.
Consensus panel recommendations for the optimization of EPIDIOLEX® treatment for seizures associated with Lennox–Gastaut syndrome, Dravet syndrome, and tuberous sclerosis complex
Authors: Wechsler Robert T. , Burdette David E. , Gidal Barry E. , Hyslop Ann , McGoldrick Patricia E. , Thiele Elizabeth A. , Valeriano James
Published: July 2024

Following the approval of Epidiolex® (cannabidiol; CBD) for the treatment of seizures associated with Lennox–Gastaut syndrome (LGS), Dravet syndrome (DS), and tuberous sclerosis complex (TSC), healthcare professionals (HCPs) have had substantial experience in treating patients with Epidiolex. However, confusion still remains among HCPs, caregivers, and patients regarding dosing, drug interactions, safety monitoring, and differentiation between Epidiolex and nonapproved CBD products. To establish consensus recommendations for Epidiolex treatment optimization in LGS, DS, and TSC, a panel of seven HCPs with expertise in epilepsy was convened. Panelists participated in a premeeting survey based on a literature review of Epidiolex for the treatment of LGS, DS, and TSC, and survey responses were compiled for discussion. A modified Delphi method was used to assess agreement among panelists regarding recommendation statements following two rounds of discussion. Panelists identified two broad themes – overcoming barriers to initiation and optimization of treatment for seizures associated with LGS, DS, and TSC – for consensus guidelines. Accurate identification of patients with these rare epilepsies is critical for optimization of Epidiolex treatment. Providers should differentiate Epidiolex from nonapproved CBD products and set expectations for the therapeutic effect and safety/tolerability of Epidiolex. Initial target dose and titration rate should be individualized by baseline variables, prior response to antiseizure medications, and therapeutic goals. Awareness of strategies to manage adverse events and concomitant medications, including drug–drug interactions, is critical. Tracking response to the maximum tolerated dose is an important measure of effectiveness. These consensus recommendations provide real‐world experience from neurology HCPs with experience in prescribing Epidiolex and can inform optimal use of Epidiolex for the treatment of seizures associated with LGS, DS, and TSC.

Plain language summary

Epidiolex® (cannabidiol) is approved for treating seizures in Lennox–Gastaut syndrome, Dravet syndrome, and tuberous sclerosis complex. Although healthcare professionals have experience in treating patients with Epidiolex, there is a need for better understanding of dosing, drug interactions, and safety of this drug. Therefore, a group of epilepsy experts developed guidelines for best practices in Epidiolex treatment. Two main areas were identified: overcoming barriers to starting Epidiolex and considerations related to Epidiolex dosing. Within these areas, topics, including correct disease identification, managing adverse events, and determining individualized dose, were discussed. These guidelines provide real‐world experience to inform optimal Epidiolex use.
Energy needs within the rural community in Makueni County, Kenya
Authors: Kitetu Job , Thoruwa Thomas , Omosa Isaiah
Published: July 2024

Literature shows that only 56% of Kenyan households had access to electricity, with rural areas having the lowest access rate at percent. The high cost of extending the power grid to remote areas and power losses on distribution are significant challenges facing rural electrification. In addressing power accessibility problems, especially in rural areas, there is a need for tapping hydropower generation through the invention and implementation of in‐duct turbines to maximize the utilization of already existing pressurized water ducts that supply water in various parts of Kenya for hydropower generation. Makueni County is endowed with gravity‐fed water ducts with high potential for hydropower which can innovatively be produced by application of in‐duct turbines. This paper focuses on the assessment of energy needs and applications in rural areas. The research design was exploratory and experimental in nature. It was exploratory because, through an assessment, it sought to explore and identify the potential areas within the water supply lines for the production of hydropower to supply hydropower in Makueni County. It was experimental because the researcher developed (designed and fabricated) a hydro turbine for use in the production of hydropower from gravity water ducts of a diameter raging 100 mm. The research revealed that 62% (98) used solar power for lighting their homes, while 17% (28), 12% (20), and 8% (12) used lanterns, electricity, and kerosene lamps, respectively. Among the fuels assessed was firewood which was identified as the most used fuel at 89% (140). This was followed at a distance far by paraffin at 6% (9) of respondents. The households at 100% (158) identified electricity as a potential source of lighting for their household. The study recommends harnessing hydropower to enhance reach to 100% of the rural communities. The energy availability will provide opportunities for communities and institutions in rural areas to open their minds to business development and engage in income‐generating activities like the rearing of poultry and the development of light industries like the gridding of maize and other cereals.
Evaluation of the EUROSEM on soil erosion simulation for loess plateau, northern China
Authors: Su Chang , Wang Yu , Fu Xingtao , Wang Zhiyuan
Published: July 2024

The Loess Plateau region features fragmented landforms, sparse vegetation, and short but intense summer rainstorms that can easily cause severe soil erosion. To evaluate its applicability to a typical Loess Plateau in northern China, an indoor laboratory experimental study was conducted for events with different slope lengths (3, 4, and 5 m) and rainfall intensities (50, 60, 70, 80, 90, 100, 110, and 120 mm/h). EUROSEM (European Soil Erosion Model) was used to simulate the soil erosion process and predict both total runoff and sediment yield. The EUROSEM modeling results were compared with the observed experimental values and analysed to determine the performance of EUROSEM. The results and analysis showed that EUROSEM could effectively simulate the runoff processes. It produced better predictions for the total runoff yield than for the sediment yield, with Nash–Sutcliffe efficiencies of 0.9003 and 0.1820, respectively. The qualified rates of the RE (relative error) between simulated and observed values of the total runoff and sediment yield were 87.5% and 37.5%, respectively. Compared to the sediment yield under rainfall intensities of 50–80 mm/h, those under 90–110 mm/h had lower RE and higher NSE, which increased from −3.9 to 0.5. However, the modeling results deviated more from the experimental data at a rainfall intensity of 120 mm/h. According to this study, EUROSEM is a good fit for simulating the runoff and partial sediment yield processes of the Loess Plateau region's slopes. However, the accurate prediction of sediment yield still requires more research to achieve complete effectiveness using EUROSEM for typical and wide scenarios in China.