bluuebunny/crossref_metadata_2025 huggingface dataset:
Comparative karyological features of several populations of Populus euphratica Oliv., grown under different environmental conditions in Iran
Authors: Asadi-Corom Fereshteh , Mirzaie-Nodoushan Hossein , Calagari Mohsen
Published: October 2024

Understanding genetic structure and chromosomal characteristics is essential for developing effective breeding programmes and improving plant species. This research compared karyotypic features of 10 plant populations of Populus euphratica from various regions of Iran. Fresh roots grown from cuttings of the populations were used to get metaphase cells. Then several chromosomal parameters were recorded and analysed using a nested statistical model. All the studied populations were diploid, with 2n = 38 chromosomes, consisting of medium and sub-medium chromosome types. Significant differences (P ⩽ 0.01) were observed between the plant populations in chromosomal dimensions and arm ratios, suggesting chromosomal rearrangements. Chromosome lengths in the studied populations ranged from 0.69 to 3.38 μm. Intra-chromosomal index (A1) showed clear asymmetrical differences between the plant populations. Furthermore, using Stebbins's standards, the studied populations classified as 1A and 1B classes, demonstrated more asymmetry than those categorized as 1B and 2B, respectively. Cytological differences between the plant populations, collected from different parts of the country, showed that chromosome structural rearrangements are responsible for the speciation and adaption of the species against the mentioned variable ecological conditions and play a key role in response to diverse climatic and geographical conditions.
Alleviative effect of iron chlorin e6 on isoproturon phytotoxicity to wheat
Authors: Liu Rensi , Gao Haitao , Wang Yingchun , Liang Shaoqi , Yu Jiaxing , Feng Zhike , Dong Liyao
Published: October 2024

Isoproturon phytotoxicity to wheat (Triticum aestivum L.) is a worry for many farmers in chemical control of weeds in wheat fields, especially in subzero weather conditions. Iron chlorin e6 (ICe6), a new plant growth regulator, has been reported to enhance crop stress resistance to alleviate damage caused by stress; however, it is not clear whether ICe6 has an alleviative effect on isoproturon phytotoxicity to wheat. We determined the alleviative effect of ICe6 on isoproturon phytotoxicity to wheat, and 0.018 g ai ha−1 was the optimal dose. Meanwhile, we also studied the photosynthetic pigment content, photosynthetic parameters, oxidative stress indicators, and antioxidant enzyme activity of wheat treated with the three different treatments. We found that the photosynthetic pigment content, antioxidant enzyme activity, and photosynthesis of wheat damaged by isoproturon were significantly lower than those of the control, and the hydrogen peroxide (H2O2) and malondialdehyde (MDA) content increased. These results indicate that isoproturon stress significantly weakened the photosynthetic and antioxidant capacity of wheat. The photosynthetic pigment content, photosynthetic parameters (excluding intercellular CO2 concentration), and antioxidant enzyme activity of isoproturon+ICe6– treated wheat were significantly higher than those of isoproturon-treated wheat. The H2O2 and MDA content was significantly lower than that of isoproturon-treated wheat. These results indicate that ICe6 treatment maintained the photosynthetic pigment content of wheat and relatively improved photosynthetic capacity, allowing photosynthesis to proceed normally. ICe6 treatment also limits the decrease in antioxidant enzyme activity, effectively clearing excess reactive oxygen species and ultimately alleviating membrane lipid peroxidation damage. In summary, ICe6 not only enhances stress resistance and increases yield in crops such as soybean [Glycine max (L.) Merr.] and canola (Brassica napus L.), but also has an alleviating effect on the isoproturon phytotoxicity to wheat, which is manifested by the improvement of photosynthetic and antioxidant abilities, ultimately leading to an increase in wheat shoot height and shoot fresh weight.
Weed community differences in row crops with varying input levels in Ghana
Authors: Oreja Fernando H. , Arthur Stephen , Bolfrey-Arku Grace , Mochiah Moses B. , Klutse Victoria , Yorke Maxwell , Hukporti Solomon , Dzomeku Israel K. , Mahama Georgie Y. , Nboyine Jerry A. , Seidu Ahmed , Akromah Richard , Sarkodie-Addo Joseph , Jordan David L. , Leon Ramon G.
Published: October 2024

Peanut (Arachis hypogaea L.) and maize (Zea mays L.) are essential crops for Ghana’s economy and food security, but weed infestation poses a significant threat to their cultivation. Crop rotations influence weed communities, but little is known about these processes in peanut-cropping systems in West Africa. This study investigated the impact of different crop rotations and input levels on weed communities in Ghana over 3 yr. Results showed that low inputs (absence of herbicide and fertilization) favored species richness, while higher input levels (weed control with herbicides and fertilizer use) reduced it. Diversity and evenness were also affected by inputs, with varying patterns across locations and seasons. Weed population growth rates (λ) varied significantly by location and treatment; all management programs resulted in increasing weed populations. Principal component analysis revealed distinct associations between weed species and crop management. The majority of weed species exhibited a generalist behavior and did not associate with a particular management. However, billygoat weed (Ageratum conyzoides L.) and Benghal dayflower (Commelina benghalensis L.) were positively associated with high-input systems, while purple nutsedge (Cyperus rotundus L.) exhibited strong associations with low and medium inputs. The weed–crop rotation dynamics described here demonstrate how management drives the selection of weed species that are more pervasive and interfere with important food crops in Ghanaian agriculture.
A New Cyclo‐Synchrotron Model for Lunar‐Based Observations of Earth's Radiation Belts
Authors: Marc G. , Sicard A. , Nénon Q. , Belmont R.
Published: October 2024

The energetic electrons trapped in the terrestrial radiation belts spontaneously emit radiation due to magnetic deflection. The observation of this radiation can offer insights into the space and energy distribution of the electrons, as well as their temporal variability. Given the energy range of the electrons in the Earth's radiation belts (0.1 keV to 10 MeV), the emission corresponds to cyclo‐synchrotron radiation, an intermediate radiation regime between the low‐energy cyclotron radiation and the extremely relativistic synchrotron emission. Terrestrial cyclo‐synchrotron radiation cannot be observed from Earth as it is emitted at frequencies below the ionospheric cutoff frequency (f < 10 MHz). However, a lunar near‐side observation could provide real time measurements of the dynamics of the Earth radiation belts. In this study, we present the development of a full cyclo‐synchrotron model for the electron radiation belt emissions, building upon a preliminary synchrotron model. While previous simulations focused on >1 MeV electrons, our new model is able to simulate the radiation of >100 keV electrons which have much larger fluxes than MeV electrons. This new model accurately simulates the cyclo‐synchrotron radiation emitted by Earth's radiation belts as observed from the lunar surface, which would help the design of lunar‐based radio interferometers and would offer a new perspective on radiation belts research and monitoring.
The Global Characteristics of Electrons Near the Inner Edge of the Inner Radiation Belt
Authors: Walton S. D. , Lejosne S. , Claudepierre S. G.
Published: October 2024

Energetic electrons around the inner edge of the inner radiation belt (L1.3) have not been studied to the extent of the rest of the inner belt and certainly not to that of the outer radiation belt. Yet, the behavior of electrons at the inner edge of the inner belt could improve our understanding of important dynamics deep within Earth's magnetosphere. Previous work has analyzed these electrons during either isolated events or via significantly limited statistical studies, and it remains unclear what the particular drivers of electron flux enhancements in this region may be. Here, we present a broad statistical study of electrons around the inner edge of the inner radiation belt, utilizing the 7‐year data set of the MagEIS particle detectors aboard both Van Allen Probes spacecraft. Moreover, we separate electron flux measurements into stably trapped and quasi‐trapped electrons and directly compare their behavior. We find both populations to be variable in L and energy, as well as showing a clear magnetic local time (MLT) asymmetry. Potential drivers are also explored, where we demonstrate an association between increased electron fluxes in this region and heightened solar wind speed, Sym‐H, dynamic pressure, southward IMF and most prominently with the AU and AL indices.
AXIN1 boosts antiviral response through IRF3 stabilization and induced phase separation
Authors: Dai Dan-Ling , Xie Chu , Zhong Lan-Yi , Liu Shang-Xin , Zhang Le-Le , Zhang Hua , Wu Xing-Ping , Wu Zhou-Ming , Kang Kexin , Li Yan , Sun Ya-Meng , Xia Tian-Liang , Zhang Chen-Song , Zhang Ao , Shi Ming , Sun Cong , Chen Mei-Ling , Zhao Ge-Xin , Bu Guo-Long , Liu Yuan-Tao , Huang Kui-Yuan , Zhao Zheng , Li Shu-Xin , Zhang Xiao-Yong , Yuan Yun-Fei , Wen Shi-Jun , Zhang Lingqiang , Li Bin-Kui , Zhong Qian , Zeng Mu-Sheng
Published: October 2024

Axis inhibition protein 1 (AXIN1), a scaffold protein interacting with various critical molecules, plays a vital role in determining cell fate. However, its impact on the antiviral innate immune response remains largely unknown. Here, we identify that AXIN1 acts as an effective regulator of antiviral innate immunity against both DNA and RNA virus infections. In the resting state, AXIN1 maintains the stability of the transcription factor interferon regulatory factor 3 (IRF3) by preventing p62-mediated autophagic degradation of IRF3. This is achieved by recruiting ubiquitin-specific peptidase 35 (USP35), which removes lysine (K) 48-linked ubiquitination at IRF3 K366. Upon virus infection, AXIN1 undergoes a phase separation triggered by phosphorylated TANK-binding kinase 1 (TBK1). This leads to increased phosphorylation of IRF3 and a boost in IFN-I production. Moreover, KYA1797K, a small molecule that binds to the AXIN1 RGS domain, enhances the AXIN1-IRF3 interaction and promotes the elimination of various highly pathogenic viruses. Clinically, patients with HBV-associated hepatocellular carcinoma (HCC) who show reduced AXIN1 expression in pericarcinoma tissues have low overall and disease-free survival rates, as well as higher HBV levels in their blood. Overall, our findings reveal how AXIN1 regulates IRF3 signaling and phase separation-mediated antiviral immune responses, underscoring the potential of the AXIN1 agonist KYA1797K as an effective antiviral agent.
Envafolimab plus lenvatinib and transcatheter arterial chemoembolization for unresectable hepatocellular carcinoma: a prospective, single-arm, phase II study
Authors: Chen Yiwen , Zhang Junlei , Hu Wendi , Li Xiang , Sun Ke , Shen Yan , Zhang Min , Wu Jian , Gao Shunliang , Yu Jun , Que Risheng , Zhang Yun , Yang Fuchun , Xia Weiliang , Zhang Aibin , Tang Xiaofeng , Bai Xueli , Liang Tingbo
Published: October 2024

Evidences regarding the feasibility of transcatheter arterial chemoembolization (TACE)-based therapy for unresectable hepatocellular carcinoma (uHCC) remains limited. This study aimed to investigate the efficacy and safety of TACE combined with envafolimab and lenvatinib for uHCC. Eligible patients with uHCC received envafolimab and lenvatinib after TACE until disease progression, conversion to surgery, intolerable toxicities, or death. The primary endpoint was the objective response rate (ORR) assessed according to Response Evaluation Criteria in Solid Tumors (RECIST) 1.1 criteria. Between March 2022 and July 2022, 38 patients were included for safety analysis, and 36 patients were included for efficacy analysis. As of the data cutoff (13 December 2023), the median follow-up was 16.9 months. The ORR was 50%, and disease control rate (DCR) was 83.3% per RECIST 1.1 (ORR and DCR of both 83.3% per modified RECIST (mRECIST)). The median progression-free survival (PFS) was 7.58 months. Of 36 patients, 17 patients were converted to resectable HCC with a surgical conversion rate of 47.2%, and 16 patients underwent surgery with R0 resection rate of 100%, pathologic complete response (pCR) rate of 31.3%. Overall incidences of treatment-related adverse events (TRAEs) of any grade was 97.4%. Grade ≥ 3 TRAEs were observed in 52.6% patients. No treatment-related deaths occurred. Image mass cytometry (IMC) analysis revealed that combined treatment improved the immune status of the tumor microenvironment, and resident macrophages had the potential to predict efficacy of this treatment. Envafolimab plus lenvatinib and TACE yielded promising survival outcomes and conversion efficiency with a tolerable safety profile. Trial registration Clinical trials: NCT05213221.
Genome-wide association studies of COVID-19 vaccine seroconversion and breakthrough outcomes in UK Biobank
Authors: Alcalde-Herraiz Marta , Català Martí , Prats-Uribe Albert , Paredes Roger , Xie JunQing , Prieto-Alhambra Daniel
Published: October 2024

Understanding the genetic basis of COVID-19 vaccine seroconversion is crucial to study the role of genetics on vaccine effectiveness. In our study, we used UK Biobank data to find the genetic determinants of COVID-19 vaccine-induced seropositivity and breakthrough infections. We conducted four genome-wide association studies among vaccinated participants for COVID-19 vaccine seroconversion and breakthrough susceptibility and severity. Our findings confirmed a link between the HLA region and seroconversion after the first and second doses. Additionally, we identified 10 genomic regions associated with breakthrough infection (SLC6A20, ST6GAL1, MUC16, FUT6, MXI1, MUC4, HMGN2P18-KRTCAP2, NFKBIZ and APOC1), and one with breakthrough severity (APOE). No significant evidence of genetic colocalisation was found between those traits. Our study highlights the roles of individual genetic make-up in the varied antibody responses to COVID-19 vaccines and provides insights into the potential mechanisms behind breakthrough infections occurred even after the vaccination.
Complex transcriptional regulations of a hyperparasitic quadripartite system in giant viruses infecting protists
Authors: Bessenay Alexandra , Bisio Hugo , Belmudes Lucid , Couté Yohann , Bertaux Lionel , Claverie Jean-Michel , Abergel Chantal , Jeudy Sandra , Legendre Matthieu
Published: October 2024

Hyperparasitism is a common pattern in nature that is not limited to cellular organisms. Giant viruses infecting protists can be hyperparasitized by smaller ones named virophages. In addition, both may carry episomal DNA molecules known as transpovirons in their particles. They all share transcriptional regulatory elements that dictate the expression of their genes within viral factories built by giant viruses in the host cytoplasm. This suggests the existence of interactions between their respective transcriptional networks. Here we investigated Acanthamoeba castellanii cells infected by a giant virus (megavirus chilensis), and coinfected with a virophage (zamilon vitis) and/or a transpoviron (megavirus vitis transpoviron). Infectious cycles were monitored through time-course RNA sequencing to decipher the transcriptional program of each partner and its impact on the gene expression of the others. We found highly diverse transcriptional responses. While the giant virus drastically reshaped the host cell transcriptome, the transpoviron had no effect on the gene expression of any of the players. In contrast, the virophage strongly modified the giant virus gene expression, albeit transiently, without altering the protein composition of mature viral particles. The virophage also induced the overexpression of transpoviron genes, likely through the indirect upregulation of giant virus-encoded transcription factors. Together, these analyses document the intricated transcriptionally regulated networks taking place in the infected cell.
High fidelity DNA ligation prevents single base insertions in the yeast genome
Authors: Williams Jessica S. , Lujan Scott. A. , Arana Mercedes E. , Burkholder Adam B. , Tumbale Percy P. , Williams R. Scott , Kunkel Thomas A.
Published: October 2024

Finalization of eukaryotic nuclear DNA replication relies on DNA ligase 1 (LIG1) to seal DNA nicks generated during Okazaki Fragment Maturation (OFM). Using a mutational reporter in Saccharomyces cerevisiae, we previously showed that mutation of the high-fidelity magnesium binding site of LIG1Cdc9 strongly increases the rate of single-base insertions. Here we show that this rate is increased across the nuclear genome, that it is synergistically increased by concomitant loss of DNA mismatch repair (MMR), and that the additions occur in highly specific sequence contexts. These discoveries are all consistent with incorporation of an extra base into the nascent lagging DNA strand that can be corrected by MMR following mutagenic ligation by the Cdc9-EEAA variant. There is a strong preference for insertion of either dGTP or dTTP into 3–5 base pair mononucleotide sequences with stringent flanking nucleotide requirements. The results reveal unique LIG1Cdc9-dependent mutational motifs where high fidelity DNA ligation of a subset of OFs is critical for preventing mutagenesis across the genome.
A promiscuous mechanism to phase separate eukaryotic carbon fixation in the green lineage
Authors: Barrett James , Naduthodi Mihris I. S. , Mao Yuwei , Dégut Clément , Musiał Sabina , Salter Aidan , Leake Mark C. , Plevin Michael J. , McCormick Alistair J. , Blaza James N. , Mackinder Luke C. M.
Published: October 2024

CO2 fixation is commonly limited by inefficiency of the CO2-fixing enzyme Rubisco. Eukaryotic algae concentrate and fix CO2 in phase-separated condensates called pyrenoids, which complete up to one-third of global CO2 fixation. Condensation of Rubisco in pyrenoids is dependent on interaction with disordered linker proteins that show little conservation between species. We developed a sequence-independent bioinformatic pipeline to identify linker proteins in green algae. We report the linker from Chlorella and demonstrate that it binds a conserved site on the Rubisco large subunit. We show that the Chlorella linker phase separates Chlamydomonas Rubisco and that despite their separation by ~800 million years of evolution, the Chlorella linker can support the formation of a functional pyrenoid in Chlamydomonas. This cross-species reactivity extends to plants, with the Chlorella linker able to drive condensation of some native plant Rubiscos in vitro and in planta. Our results represent an exciting frontier for pyrenoid engineering in plants, which is modelled to increase crop yields.
Wind turbine condition monitoring dataset of Fraunhofer LBF
Authors: Mostafavi Atabak , Friedmann Andreas
Published: October 2024

Fraunhofer wind turbine dataset contains monitoring data from a 750 W wind turbine, including accelerometers and tachometer, to capture structural response, bearing vibrations and rotational velocity. Additionally, temperatures, wind speed and wind direction have been measured, while weather conditions have been acquired from selected sources. Various damage scenarios, including mass imbalance, and aerodynamic imbalance as well as damages on bearings’ outer race, inner race and roller element have been implemented. The availability of time series data makes the dataset well suited for both machine learning and signal processing-based condition monitoring applications. The availability of heterogeneous sensors has created a dataset particularly suited for information fusion, data fusion, multi-sensor approaches, and holistic monitoring. Experiments were conducted in real-world conditions outside of a controlled laboratory environment, thereby introducing challenges such as variable rotor speed, noise, overloads, and other environmental factors. Consequently, the dataset is qualified for tasks involving uncertainty quantification and signal pre-processing. This document will detail the test equipment, experimental procedures, simulated damage cases and measurement parameters.
Advanced nano modification of ecofriendly glauconite clay for high efficiency methylene blue dye adsorption
Authors: Saad Eman M. , Wagdy Manar , Orabi Adel S.
Published: October 2024

This research focuses on the utilization of nano glauconite clay as an environmentally friendly sorbent for the removal of cationic dyes, particularly Methylene Blue (MB), from polluted water. The glauconite clay was sourced from the El Gidida region of Egypt and subjected to grinding in a laboratory-type ball mill to ensure homogeneity and increase the active sites available for the adsorption process. The resulting ball milled nano clay (BMNC) was characterized using techniques such as X-ray fluorescence (XRF), Fourier transform infrared (FT-IR) spectroscopy, transmission electron microscopy (TEM), energy dispersive X-ray spectroscopy (EDS), and X-ray diffraction (XRD). The concentration of MB dye was monitored using UV–Vis spectroscopy to assess the adsorption capacity of BMNC under various conditions including pH, time, dose, and temperature. The optimal conditions for the adsorption process were determined to be a pH range of 7–8, a contact time of 60 min, and a dose of 200 ppm, resulting in an adsorption capacity of 128 mg/g. This process demonstrated both low cost and high speed. The adsorption mechanism of MB on the BMNC surface was evaluated through kinetics, adsorption isotherms, and thermodynamics. The experimental data indicated an endothermic, spontaneous, and thermodynamically favourable adsorption process, which was further supported by simulated modelling results using Forcite program. The in-silico data aligned well with the experimental findings. Additionally, the study assessed the interference of salts, metal ions, and other dyes on MB adsorption onto BMNC, showing promising results. These findings strongly support the effectiveness of our sorbent substrate under challenging conditions.
Drug-associated congenital anomalies of the external ear identified in the United States food and drug administration adverse event reporting system database
Authors: Li Xinyu , Hao Jiajia , Li Datao , Zhang Ruhong
Published: October 2024

Congenital anomalies of the external ear can have a significant impact on a child’s development and quality of life. While genetic factors play a crucial role in the etiology of these anomalies, environmental factors such as drug exposure during pregnancy may also contribute to their occurrence. This study aims to investigate the association between drug exposure and congenital anomalies of the external ear using data from an adverse drug reaction report database. Using OpenVigil 2.1, we queried the FAERS database to retrieve adverse event reports from the first quarter of 2004 to the first quarter of 2024. To identify relevant cases, we used Medical Dictionary for Regulatory Activities terms focusing on congenital anomalies of the external ear. Drug generic names were sourced from the DrugBank database. To assess safety signals and rank drugs by their signal strength, we conducted a disproportionality analysis, generating reporting odds ratios (ROR) and proportional reporting ratios (PRR). A total of 20,754,281 AE reports were identified in the FAERS database from Q1 2004 to Q1 2024, of which 1763 were related to congenital anomalies of the external ear. Valproic acid (122 cases) was associated with the most cases, followed by mycophenolate mofetil (105 cases) and lamotrigine (65 cases). According to the disproportionality analysis, the top five drugs with the highest ROR and PRR were primidone (ROR: 397.05, 95% CI 147.21, 1070.9; PRR: 388.71, 95% CI 145.89, 1035.7), valproic acid (ROR: 239.46, 95% CI 123.75, 463.37; PRR: 236.42, 95% CI 123.82, 451.43), tapazole (ROR: 198.35, 95% CI 63.49, 619.67; PRR: 196.25, 95% CI 62.97, 611.67), nevirapine (ROR: 138.24, 95% CI 82.9, 230.51; PRR: 137.23, 95% CI 82.44, 228.44), and sebivo (ROR: 117.1, 95% CI 48.51, 282.67; PRR: 116.37, 95% CI 48.17, 281.12). This study identified several drugs significantly associated with congenital anomalies of the external ear in the FAERS database using disproportionality analysis. The findings can help healthcare professionals better recognize and manage drug-induced congenital anomalies of the external ear, particularly when prescribing high-risk medications. Further research is needed to elucidate the mechanisms underlying these associations and develop strategies for preventing and mitigating drug-induced congenital anomalies of the external ear.
A machine learning algorithm to explore the drivers of carbon emissions in Chinese cities
Authors: Yu Wenmei , Xia Lina , Cao Qiang
Published: October 2024

As the world’s largest energy consumer and carbon emitter, the task of carbon emission reduction is imminent. In order to realize the dual-carbon goal at an early date, it is necessary to study the key factors affecting China’s carbon emissions and their non-linear relationships. This paper compares the performance of six machine learning algorithms to that of traditional econometric models in predicting carbon emissions in China from 2011 to 2020 using panel data from 254 cities in China. Specifically, it analyzes the comparative importance of domestic economic, external economic, and policy uncertainty factors as well as the nonparametric relationship between these factors and carbon emissions based on the Extra-trees model. Results show that energy consumption (ENC) remains the root cause of increased carbon emissions among domestic economic factors, although government intervention (GOV) and digital finance (DIG) can significantly reduce it. Next, among the external economic and policy uncertainty factors, foreign direct investment (FDI) and economic policy uncertainty (EPU) are important factors influencing carbon emissions, and the partial dependence plots (PDPs) confirm the pollution haven hypothesis and also reveal the role of EPU in reducing carbon emissions. The heterogeneity of factors affecting carbon emissions is also analyzed under different city sizes, and it is found that ENC is a common driving factor in cities of different sizes, but there are some differences. Finally, appropriate policy recommendations are proposed by us to help China move rapidly towards a green and sustainable development path.
Fast low-temperature irradiation creep driven by athermal defect dynamics
Authors: Feichtmayer Alexander , Boleininger Max , Riesch Johann , Mason Daniel R. , Reali Luca , Höschen Till , Fuhr Maximilian , Schwarz-Selinger Thomas , Neu Rudolf , Dudarev Sergei L.
Published: October 2024

The occurrence of high stress concentrations in reactor components is a still intractable phenomenon encountered in fusion reactor design. Here, we observe and quantitatively model a non-linear high-dose radiation mediated microstructure evolution effect that facilitates fast stress relaxation in the most challenging low-temperature limit. In situ observations of a tensioned tungsten wire exposed to a high-energy ion beam show that internal stress of up to 2 GPa relaxes within minutes, with the extent and time-scale of relaxation accurately predicted by a parameter-free multiscale model informed by atomistic simulations. As opposed to conventional notions of radiation creep, the effect arises from the self-organisation of nanoscale crystal defects, athermally coalescing into extended polarized dislocation networks that compensate and alleviate the external stress.
Strategies for arene dissociation from transition metal η6-arene complexes
Authors: Akana-Schneider Brett , Guo Yahui , Parnitzke Bryan , Derosa Joseph
Published: October 2024

Transition metal η6-arene complexes have unique properties that facilitate a variety of arene substitution reactions, rendering π-activation a powerful approach for arene functionalization.
Azo derivatives of monoterpenes as anti-Helicobacter pylori agents: from synthesis to structure-based target investigation
Authors: Melfi Francesco , Fantacuzzi Marialuigia , Carradori Simone , D'Agostino Ilaria , Ammazzalorso Alessandra , Mencarelli Noemi , Gallorini Marialucia , Spano Mattia , Guglielmi Paolo , Agamennone Mariangela , Haji Ali Sazan , Al-Samydai Ali , Sisto Francesca
Published: October 2024

Monoterpene-derived azo benzenes showed selective antibacterial activity against Helicobacter pylori with a safe profile. An in silico investigation highlighted the inosine 5′-monophosphate dehydrogenase enzyme as the putative target.
Introduction to the themed collection on ‘AI in Medicinal Chemistry’
Authors: Zhang Jian , Engkvist Ola , Hessler Gerhard
Published: October 2024

Jian Zhang, Ola Engkvist and Gerhard Hessler introduce the RSC Medicinal Chemistry themed collection on ‘AI in Medicinal Chemistry’.
Instantaneous growth of single monolayers as the origin of spontaneous core–shell InxGa1−xN nanowires with bright red photoluminescence
Authors: Dubrovskii Vladimir G. , Cirlin George E. , Kirilenko Demid A. , Kotlyar Konstantin P. , Makhov Ivan S. , Reznik Rodion R. , Gridchin Vladislav O.
Published: October 2024

We demonstrate spontaneous core–shell InxGa1−xN nanowires exhibiting bright photoluminescence at 650 nm. The surprising effect of material separation is attributed to the periodically changing environment for single monolayer growth.
Electrochemical oxidative site-selective direct C–H activation of tanshinone IIA
Authors: Zhang Jingyi , Han Shan , Lu Siao , Li Minghan , Gao Zixun , Zheng Linyu , Feng Yulin , Lu Fangling
Published: October 2024

Natural products play a pivotal role in the advancement of state-of-the-art pharmaceuticals.
Glacial acetic acid as a resolution solvent for growing enantiopure crystals from racemic mixtures
Authors: Deng Hongwen , Yuan Peng , Lao Kejie , Fu Qijun , Teo Boon K. , Zheng Nanfeng
Published: October 2024

Glacial acetic acid as a resolution solvent for the intrinsically chiral Pd–S nanocluster [Pd4S2(dppm)3(CNtBu)2]2+ is reported, which may find applications in chiral separation technologies.
Mn-catalyzed ring-opening and alkylation of epoxides with alcohols for accessing β-alkylated secondary alcohols via borrowing hydrogen
Authors: Rong Qiang , Deng Hongbin , Sun Nan , Che Anqi , Hu Xinquan , Jin Liqun
Published: October 2024

Mn-catalyzed ring-opening and alkylation of epoxides with alcohols.
Electrochemically driven metal-free synthesis of benzylic thioethers via C–S cross-coupling
Authors: Fu Ming-Qiu-Hao , He Yan-Hong , Guan Zhi
Published: October 2024

An electrochemically driven C–S radical–radical cross-coupling reaction between benzyl halides and disulfides for the synthesis of benzylic thioethers has been developed under environmentally friendly and mild conditions.
Adaptive photoluminescence through a bioinspired antioxidative mechanism
Authors: Rex Tobias , Baumert Sebastian , Hepp Alexander , Fernández Gustavo , Strassert Cristian A.
Published: October 2024

We introduce a bioinspired antioxidative mechanism to adaptively control the photoluminescence and prevent photobleaching of molecular phosphors.
Advances in radiative cooling materials for building energy efficiency: a decade of progress
Authors: Huang Ke , Huang Zhixin , Du Yahui , Liang Yan , Liu Junwei , Yan Jinyue
Published: October 2024

In this critical review, we present a comprehensive analysis of the advancements in RSC technology over the past decade, a fast-developing period, to further facilitate its practical applications in buildings.
Strong metal–support interaction (SMSI) modulates d-orbital centers to promote oxygen reduction reaction
Authors: Liu Zhangmeng , Lin Guiting , Li Yayao , Zhou Runchao , Fu Yunzhi
Published: October 2024

Strong metal–support interaction (SMSI) modulates d-orbital centers to promote oxygen reduction reaction.
Development of silibinin-loaded nanostructured lipid carriers for Alzheimer's disease induced by amyloid beta in Wistar rats
Authors: Khodabandelou Saeideh , Nazem Zeynab , Komaki Alireza , Ramezani Mahdi , Firoozian Farzin , Faraji Nafiseh , Mahboobian Mohammad Mehdi , Mohammadi Mojdeh
Published: October 2024

Objective: The purpose of this study is to develop, optimize, and evaluate the in vivo effectiveness of orally administered silibinin-loaded nanostructured lipid carriers (SB-NLCs) in amyloid β-induced Alzheimer's disease in Wistar rats.
Eccentricity effects on the supermassive black hole gravitational wave background
Authors: Raidal Juhan , Urrutia Juan , Vaskonen Ville , Veermäe Hardi
Published: October 2024

We studied how eccentricity affects the gravitational wave (GW) spectrum from supermassive black hole (SMBH) binaries. We developed a fast and accurate semi-analytic method for computing the GW spectra, the distribution for the spectral fluctuations and the correlations between different frequencies. As GW emission circularizes binaries, the suppression of the signal strength due to eccentricity is relevant for signals from wider binaries emitting at lower frequencies. Such a feature is present in the signal observed at pulsar timing arrays. We found that when orbital decay of the SMBH binaries is driven by GWs only, the shape of the observed signal preferred highly eccentric binaries ⟨e⟩2nHz =0.830.04−0.05. However, when environmental effects were included, the initial eccentricity could be significantly lowered, yet the scenario with purely circular binaries was still mildly disfavored.
Price optimization in supply chain agreements: a comparative analysis of buyback and put option contracts for inventory risk management
Authors: Farzadmehr Mehran , Taleizadeh Ata Allah , Thaichon Park
Published: October 2024

This paper aims to provide a model of a supply chain in the integrated system and obtain its optimal decision variables. The paper introduces buyback and put option contracts to reduce inventory risk. These contracts were compared in three different cases via a numerical analysis approach. In the first case, the holding cost (h) of a retailer for surplus orders in the buyback contract is equal to the option price (o) in the put option model. The relationship between exercise price (e) in the put option model and buyback price (b) in the buyback contract was obtained by comparing the optimal values in the models. This study found that the exercise price in the put option contract will be greater than the buyback price. Furthermore, it is more likely that the retailer gave more benefits under the buyback agreement than the time the retailer chooses the put option contract. Therefore, it can be concluded that if the retailer chooses the buyback agreement in this situation, can gain more benefits. The study provides essential managerial insights to compare agreements and presents recommendations to choose a suitable contract.
Inhibiting the current spikes within the channel layer of LiCoO2-based three-terminal synaptic transistors
Authors: Chen Yue , Zhang Weijian , Lu Yuezhen , Chen Minzhen , Chen Jing , Lu Hongyi , Niu Yubiao , Zhao Guiying , Tao Jianming , Li Jiaxin , Lin Yingbin , Kolosov Oleg , Huang Zhigao
Published: October 2024

Synaptic transistors, which emulate the behavior of biological synapses, play a vital role in information processing and storage in neuromorphic systems. However, the occurrence of excessive current spikes during the updating of synaptic weight poses challenges to the stability, accuracy, and power consumption of synaptic transistors. In this work, we experimentally investigate the main factors for the generation of current spikes in the three-terminal synaptic transistors that use LiCoO2 (LCO), a mixed ionic-electronic conductor, as the channel layer. Kelvin probe force microscopy and impedance testing results reveal that ion migration and adsorption at the drain–source-channel interface cause the current spikes that compromise the device's performance. By controlling the crystal orientation of the LCO channel layer to impede the in-plane migration of lithium ions, we show that the LCO channel layer with the (104) preferred orientation can effectively suppress both the peak current and power consumption in the synaptic transistors. Our study provides a unique insight into controlling the crystallographic orientation for the design of high-speed, high-robustness, and low-power consumption nano-memristor devices.
On removing the classical-quantum boundary
Authors: Mnaymneh Khaled
Published: October 2024

We argue that it is adherence to the axiom of counterfactual definiteness and not to that of locality and realism that results in Bell inequality violations. Furthermore, this axiom is not supported in classical mechanics because of deeper implications that arise from the principle of stationary action. This means that the Bell inequality fails classically, effectively removing the classical-quantum boundary–a conclusion prophesized by Bell himself. An implication here is that a local hidden variable theory, in the configuration space of classical mechanics, may not be ruled out. Basing our idea on Jacobi’s “initial variable” framework, we propose that a classical path of stationary action that recedes into the infinite past and stretches into an infinite future implies a reality that lacks counterfactual definiteness. We then corroborate this with recent experimental results, through which it could be understood that our world could be such a reality.
Trajectory analysis of Bacillus subtilis in micro-droplets
Authors: Tang Yangyang , Cao Xiaolei , Kong Rui , Li Xianyong , Wang Jiankun , Wu Jin , Wang Xiaoling
Published: October 2024

In order to study Bacillus subtilis biofilm formation in microdroplets, we use microfluidics technology to make the droplets and confocal microscopy to capture bacterial movement and biofilm formation in the droplets. We develop a multi-target tracking methodology, using a YOLOv5 detector to identify cells and a DeepSORT algorithm to track cell movements. We find that Bacillus subtilis bacteria with autonomous migration and biofilm-forming ability prefer to cluster and swarm near the microdroplet surface, rather than in the droplet interior. Bacterial mobility depends on phenotype and spatial location within the droplet. The motile cells move about 3.5 times faster than the matrix-producing cells. When the cells are near the wall of the droplet, the direction of the motion of motile cells is along that wall. When the cells are inside the droplet, the direction of the motion of motile cells is disordered, i.e., there is no clear directional or goal-oriented movement. This contrast increases the cell contact probability and facilitates the formation of a Bacillus subtilis biofilm in the droplet. Furthermore, we develop a mathematical model to describe the motion behavior of Bacillus subtilis in microdroplets, which is useful for exploring the influence of motility on biofilm formation.
Oxygen vacancy order–disorder transition process during topotactic filament formation in a perovskite oxide tracked by Raman microscopy and transmission electron microscopy
Authors: Park Heung-Sik , Jang Jinhyuk , Lim Ji Soo , Suh Jeonghun , Choi Si-Young , Yang Chan-Ho
Published: October 2024

Vacancy-ordered perovskite oxides are attracting attention due to their diverse functions such as resistive switching, electrocatalytic activity, oxygen diffusivity, and ferroelectricity. It is important to clarify the chemical lattice strains arising from compositional changes and the associated vacancy order–disorder phase transitions at the atomic scale. Here, we elucidate the intermediate process of a topotactic phase transition in Ca-doped bismuth ferrite films consisting of alternating stacks of oxygen perovskite layers and a brownmillerite-type oxygen vacancy layer. We use Raman spectroscopy and transmission electron microscopy to closely examine the evolution of local strains exerted on the constituent sub-layers by electrochemical oxidation. A negative Raman chemical shift is observed during oxidation, which is linearly correlated with the local negative chemical expansivity of the oxygen layer. It seemingly contradicts with the general trend that oxides undergo lattice contraction upon oxidation. Oxygen vacancies initially confined in the vacancy layers can be understood to diffuse into the oxygen layers during melting of the ordered structure. The finding deepens our understanding of the electro-chemo-mechanical coupling of vacancy-ordered oxides.
A simple guideline for designing droplet microfluidic chips to achieve an improved single (bio)particle encapsulation rate using a stratified flow-assisted particle ordering method
Authors: Nguyen Thu H. , Ezzo Noura , Chan Sarah , Yim Evelyn K. F. , Ren Carolyn L.
Published: October 2024

Encapsulation of a single (bio)particle into individual droplets (referred to as single encapsulation) presents tremendous potential for precise biological and chemical reactions at the single (bio)particle level. Previously demonstrated successful strategies often rely on the use of high flow rates, gel, or viscoelastic materials for initial cell ordering prior to encapsulation into droplets, which could potentially challenge the system's operation. We propose to enhance the single encapsulation rate by using a stratified flow structure to focus and pre-order the (bio)particles before encapsulation. The stratified flow structure is formed using two simple aqueous Newtonian fluids with a viscosity contrast, which together serve as the dispersed phase. The single encapsulation rate is influenced by many parameters, including fluid viscosity contrast, geometric conditions, flow conditions and flow rate ratios, and dimensionless numbers such as the capillary number. This study focuses on investigating the influences of these parameters on the focused stream of the stratified flow, which is key for single encapsulation. The results allow the proposal of a simple guideline that can be adopted to design droplet microfluidic chips with an improved single encapsulation rate demanded by a wide range of applications. The guideline was validated by performing the single encapsulation of mouse embryonic stem cells suspended in a gelatin-methacryloyl solution in individual droplets of phosphate buffer saline, achieving a single encapsulation efficiency of up to 70%.
Strain-tunable lattice and energy gap in bulk black phosphorus
Authors: Deng Yafeng , Zhao Yafei , Xu Yongkang , Dai Xingze , Wang Shuanghai , He Kun , Yongbing Xu  , He Liang
Published: October 2024

This study employs an optimized model to investigate the lattice deformation and band structure evolutions induced by the tensile strain along the zigzag direction of bulk black phosphorus (bulk BP) and the physical mechanisms behind it. It has been found that the tensile strain leads to the lattice expansion along the zigzag direction, while contracting along the armchair direction, and the out-of-plane lattice undergoes sequential expansion and contraction. This is also accompanied by an increasing and decreasing of the bulk energy gap and eventually reaching zero. Furthermore, one hopping factor has been proposed to connecting the interlayer spacing and the interlayer interaction, which successfully explains the strain-induced evolutions of the bulk energy gap. This work provides a theoretical reference for the strain-induced band engineering of bulk BP.
Picotesla optically pumped magnetometer using a laser-written vapor cell with sub-mm cross section
Authors: Zanoni Andrea , Mouloudakis Kostas , Tayler Michael C. D. , Corrielli Giacomo , Osellame Roberto , Mitchell Morgan W. , Lucivero Vito Giovanni
Published: October 2024

We demonstrate a sensitive optically pumped magnetometer using rubidium vapor and 0.75 amg of nitrogen buffer gas in a sub-mm-width sensing channel excavated by femtosecond laser writing followed by chemical etching. The channel is buried less than 1 mm below the surface of its fused silica host material, which also includes reservoir chambers and micro-strainer connections, to preserve a clean optical environment. Using a zero-field-resonance magnetometry strategy and a sensing volume of 2.25 mm3, we demonstrate a sensitivity of ≈1pT/Hz at 10 Hz. The device can be integrated with photonic structures and microfluidic channels with 3D versatility. Its sensitivity, bandwidth, and stand-off distance will enable detection of localized fields from magnetic nanoparticles and μL NMR samples.
Influence of different composite curing agents on the rapid curing characteristics and mechanical performance of epoxy resins
Authors: Xu Ting , An Lizhou , Yin Qin , Jiao Yumin , Zhou You , Tan Yefa
Published: October 2024

To address the need for rapid in situ plugging and repair of hydraulic machinery and chemical pipelines and to resolve the issue that a single curing agent cannot simultaneously achieve rapid curing and excellent mechanical properties in epoxy resin systems, this study explores the use of composite curing agents. In particular, effective formulations are designed for mixing fast and slow curing agents, studying their effects on the curing behavior, curing quality, and mechanical properties of epoxy resins and elucidating their influence mechanisms. The results indicate that three resin systems meet the requirements for rapid curing (curing time within 30 min): 4A6B/EP, 2A8B/EP, and 0A10B/EP. Among them, 4A6B/EP exhibits the best curing quality and mechanical properties. In particular, 4A6B/EP demonstrates the lowest values of curing shrinkage rate, internal curing stress, average pore size, porosity, and cumulative pore volume. Its low internal stress and low defects reduce the stress concentration, while more efficient deflection and branching of internal cracks enhance its deformation resistance. Consequently, 4A6B/EP shows the highest microhardness, fracture toughness, tensile strength, Young’s modulus, and elongation after fracture. Based on the comprehensive evaluation of rapid curing characteristics and mechanical properties, the 4A6B/EP system offers the best overall performance. Therefore, it is recommended as the preferred resin system for rapid plugging and repair of composite materials, providing a theoretical basis and technical support for boosting the application of epoxy resin composite materials in high-tech fields.
Delta-doping modulation of three quantum wells under the influence of an electric field
Authors: Jaouane M. , Ed-Dahmouny A. , Arraoui R. , Althib H. M. , Fakkahi A. , El Ghazi H. , Sali A. , Murshed Mohammad N. , Zeiri N.
Published: October 2024

The impact of delta-doping modulation and electric field influence within a nanostructure consisting of three GaAs quantum wells (QWs) separated by AlGaAs barriers was investigated. The quantized energy levels, Fermi energy, wavefunctions, self-consistent potential, and electron density distribution were evaluated by a self-consistent solution of the Schrödinger and Poisson equations using the finite element method within the FEniCS project in Python. The results indicate that increasing the electric field reduces energy levels and Fermi energy. In addition, the delta-doping position and electric field significantly affect the self-consistent potential and electron density distribution. This study provides a possibility to tailor optical properties, such as the linear absorption coefficient and photoluminescence, by adjusting geometrical and non-geometrical parameters, including donor density, enhancing the functionality of doped QWs in designing high electron mobility transistors.