bluuebunny/crossref_metadata_2025_split huggingface dataset:
Blue‐Light Irradiated Mn(0)‐Catalyzed Hydroxylation and C(sp3)−H Functionalization of Unactivated Alkanes with C(sp2)−H Bonds of Quinones for Alkylated Hydroxy Quinones and Parvaquone
Authors: Kumar Jha Raushan , Rohilla Komal , Jain Saket , Parganiha Devendra , Kumar Sangit 
Published: November 2023

AbstractSite‐selective C(sp3)−H functionalization of unreactive hydrocarbons is always challenging due to its inherited chemical inertness, slightly different reactivity of various C−H bonds, and intrinsically high bond dissociation energies. Here, a site‐selective C−H alkylation of naphthoquinone with unactivated hydrocarbons using Mn2(CO)10as a catalyst under blue‐light (457 nm) irradiation without any external acid or base and pre‐functionalization is presented. The selective C−H functionalization of tertiary over secondary and secondary over primary C(sp3)−H bonds in abundant chemical feedstocks was achieved, and hydroxylation of quinones was realizedin situby employing the developed methodology. This protocol provides a new catalytic system for the direct construction of high‐value‐added compounds, namely, parvaquone (a commercially available drug used to treattheileriosis) and its derivatives under ambient reaction conditions. Moreover, this operationally simple protocol applies to various linear‐, branched‐, and cyclo‐alkanes with high degrees of site selectivity under blue‐light irradiated conditions and could provide rapid and straightforward access to versatile methodologies for upgrading feedstock chemicals. Mechanistic insight by radical trapping, radical scavenging, EPR, and other controlled experiments well corroborated with DFT studies suggest that the reaction proceeds by a radical pathway.
Predictors of emotional intelligence among family caregivers of cancer patients: A cross‐sectional study
Authors: Moosivand Shakiba , Nazari Omid , Shahverdi Ali , Gholami Mohammad , Mohammadi Rasool , Yarahmadi Sajad 
Published: November 2023

AbstractBackgroundFamily caregivers of cancer patients must have strong emotional intelligence skills essential for understanding one's and others' feelings and learning how to cope.ObjectivesThe present study aims to determine the predictive factors of emotional intelligence and its relationship with spiritual intelligence, coping, and knowledge and experience about pain among family caregivers of cancer patients in Iran.MethodsA cross‐sectional, descriptive study was conducted in 2020–2021. Two hundred twenty‐six family caregivers of cancer patients participated in this study. The data collection tools were Wong and Law's emotional intelligence, King's spiritual intelligence, Brief Cope, and the family pain questionnaire. Following determining the variables' correlation, linear regression was carried out.ResultsEmotional intelligence had a significant correlation with age (r = 0.20, p = .003), academic degree (r = 0.15, p = .032), duration of care (r = 0.15, p = .032), and spiritual intelligence (r = 0.30, p < .001). The regression model accounted for 12.4% of the variance in emotional intelligence; age (β = 0.16, p < .021) and spiritual intelligence (β = 0.26, p < .001) were significant explanatory variables.ConclusionsEmotional intelligence is correlated with age, academic degree, duration of care, and spiritual intelligence, but only age and spiritual intelligence were found to be predictive factors for emotional intelligence in the family caregivers of cancer patients.
Plasma‐Assisted Sustainable Nitrogen‐to‐Ammonia Fixation: Mixed‐phase, Synergistic Processes and Mechanisms
Authors: Qu Zhongping , Zhou Renwu , Sun Jing , Gao Yuting , Li Zhuo , Zhang Tianqi , Zhou Rusen , Liu Dingxin , Tu Xin , Cullen Patrick , Ostrikov Kostya (Ken) 
Published: November 2023

AbstractAmmonia plays a crucial role in industry and agriculture worldwide, but traditional industrial ammonia production methods are energy‐intensive and negatively impact the environment. Ammonia synthesis using low‐temperature plasma technology has gained traction in the pursuit of environment‐benign and cost‐effective methods for producing green ammonia. This Review discusses the recent advances in low‐temperature plasma‐assisted ammonia synthesis, focusing on three main routes: N2+H2 plasma‐only, N2+H2O plasma‐only, and plasma coupled with other technologies. The reaction pathways involved in the plasma‐assisted ammonia synthesis, as well as the process parameters, including the optimum catalyst types and discharge schemes, are examined. Building upon the current research status, the challenges and research opportunities in the plasma‐assisted ammonia synthesis processes are outlined. The article concludes with the outlook for the future development of the plasma‐assisted ammonia synthesis technology in real‐life industrial applications.
Climate, fire disturbance regime, and vegetation response of the past 2500 years for central Nova Scotia
Authors: Gajewski K. , Neil Karen , Ponomarenko Elena , Ershova Ekaterina , Stewart Bruce , Neily Peter , Quigley Eugene 
Published: November 2023

AbstractThe interaction between climate change and disturbances affects forest composition and dynamics, but most of our empirical knowledge comes from short‐term studies of the past century. Pollen and charcoal analyses of lake sediment cores retrieved from three sites in Nova Scotia were used to produce a landscape‐level analysis of long‐term forest cover dynamics and fire disturbances of the past ~2500 years. The present‐day forests had been established by that time, although a long‐term increase inPiceaat the expense of northern hardwoods was seen at all sites, consistent with other pollen records found across New England and Eastern Canada. The driving influences of forest change prior to European settlement were a combination of climate and disturbance, acting on site characteristics of each region. Fires were relatively infrequent in this region and did not have a major impact on the evolution of the forests of central Nova Scotia. Changes in the relative abundances of the tree taxa occurred in response to long‐term cooling during the past 3000 years and century‐scale climate variability such as the Little Ice Age (ce1450–1850) and Medieval Warm Period (ce800–1300). The impact of climate variability on the fire regime depends on the landscape and vegetation type. “Borealization” of the Acadian Forest, noted during the period of European colonization, has been occurring for millennia.
Odontostemma balfourianum (W.W.Sm.) Satish Chandra & D.S.Rawat and Stellaria depauperata Edgew., two new records of Caryophyllaceae for Nepal
Authors: Kafle Rashika , Rajbhandary Sangeeta , Thapa Til Kumari , Parmar Gaurav 
Published: November 2023

AbstractStellaria depauperata has been found in Nepal, according to earlier investigations. However, upon closer examination, the specimens of S. depauperata that were collected from Nepal and deposited at various herbaria revealed that they belonged to Odontostemma balfourianum or another Stellaria species. Nevertheless, a small number of mislabeled Stellaria specimens upon careful examination turned out to be S. depauperata. Therefore, this study revealed the presence of O. balfourianum, and S. depauperata in Nepal. The taxonomic treatment, habitat, distribution, and images, have all been provided for both species. Odontostemma balfourianum can be easily distinguished from S. depauperata in having longer stem, petalous, and chasmogamous flowers.
Multifunctional solar‐blind ultraviolet photodetectors based on p‐PCDTBT/n‐Ga2O3 heterojunction with high photoresponse
Authors: Wang Yifei , Lin Zhenhua , Ma Jingli , Wu Yongyi , Yuan Haidong , Cui Dongsheng , Kang Mengyang , Guo Xing , Su Jie , Miao Jinshui , Shi Zhifeng , Li Tao , Zhang Jincheng , Hao Yue , Chang Jingjing 
Published: November 2023

AbstractSolar‐blind ultraviolet (UV) photodetectors based on p‐organic/n‐Ga2O3 hybrid heterojunctions have attracted extensive attention recently. Herein, the multifunctional solar‐blind photodetector based on p‐type poly[N‐9′‐heptadecanyl‐2,7‐carbazole‐alt‐5,5‐(4′,7′‐di‐2‐thienyl‐2′,1′,3′‐benzothiadiazole)] (PCDTBT)/n‐type amorphous Ga2O3 (a‐Ga2O3) is fabricated and investigated, which can work in the phototransistor mode coupling with self‐powered mode. With the introduction of PCDTBT, the dark current of such the a‐Ga2O3‐based photodetector is decreased to 0.48 pA. Meanwhile, the photoresponse parameters of the a‐Ga2O3‐based photodetector in the phototransistor mode to solar‐blind UV light are further increased, that is, responsivity (R), photo‐detectivity (D*), and external quantum efficiency (EQE) enhanced to 187 A W–1, 1.3 × 1016 Jones and 9.1 × 104 % under the weak light intensity of 11 μW cm–2, respectively. Thanks to the formation of the built‐in field in the p‐PCDTBT/n‐Ga2O3 type‐II heterojunction, the PCDTBT/Ga2O3 multifunctional photodetector shows self‐powered behavior. The responsivity of p‐PCDTBT/n‐Ga2O3 multifunctional photodetector is 57.5 mA W–1 at zero bias. Such multifunctional p‐n hybrid heterojunction‐based photodetectors set the stage for realizing high‐performance amorphous Ga2O3 heterojunction‐based photodetectors.image
Hydrogen peroxide electrosynthesis with nickel foam electrodes: influence mechanism of surface oxidation
Authors: Zhao Tianhe , Ding Yiwen , Zhu Zhaolian , Huang Qiyuan , Ji Liya , Han Xinyu , Gao Yan 
Published: November 2023

AbstractBACKGROUNDNickel foam (NF) is widely used as battery electrode matrix and electrochemical process cathode. However, the surface of NF is prone to oxidation, which may affect its ability to reduce oxygen and produce H2O2, but the influence mechanism is still unclear. In this paper, surface oxidation of the NF was regulated by pickling and drying pretreatment, and the surface oxides were characterized by X‐ray photoelectron spectroscopy (XPS) and energy dispersive X‐ray spectrometry (EDS). The NF was used as the substrate, graphite powder as the catalyst, and PTFE as the binder to prepare graphite‐coated NF composite electrodes. The effect of NF surface oxidation on their ability to generate H2O2 was investigated.RESULTSThe results demonstrated that after pickling and drying, the NF surface generated a large amount of NiO, which increased the charge transfer resistance of the NF by 20.3%, and accelerated further reduction decomposition of H2O2. The rotating ring‐disk electrode (RRDE) tests further confirmed that NiO can reduce the two‐electron oxygen reaction selectivity, which was detrimental to H2O2 electrosynthesis. The graphite‐coated NF composite electrode with pristine NF as the substrate can produce 869.1 mg L−1 of H2O2 and maintain relatively good reusability.CONCLUSIONOverall, the surface oxidation of NF is not conducive to H2O2 electrosynthesis, and it is necessary to prevent oxidation during electrode preparation. This study provides a valuable reference for the preparation of NF electrodes and can promote the further study of in situ H2O2 electrosynthesis. © 2023 Society of Chemical Industry (SCI).
Indeno[1,2‐b]pyridin‐5‐one derivatives containing azo groups and their hydrazonal precursors: Synthesis, antimicrobial profile, DNA gyrase binding affinity, and molecular docking
Authors: Kassab Refaie M. , Muhammad Zeinab A. , Al‐Hussain Sami A. , Zaki Magdi E. A. , Ibrahim Mona H. , Alsaedi Amani M. R. , Farghaly Thoraya A. 
Published: November 2023

AbstractThe prevalence of germs that are resistant to many antibiotics is rising rapidly the world over. There is a large group of researchers actively looking for better medicines. Here, we designed two series of hydrazonal and indeno[1,2‐b]pyridin‐5‐one bearing hydrazone and azo‐groups to test their antimicrobial activity. Molecular structures of all derivatives were assured based on their spectral data and elemental analyses. Results of the antimicrobial activity of the tested hydrazone and azo compounds showed promising potential for several derivatives. The minimum inhibitory concentrations (MICs) of hydrazones 4a‐h and 6a‐g displayed good antibacterial reactivities with a range of 3.91–250 μg/mL and moderate antifungal activity with a range of 15.6–500 μg/mL. The most promising hydrazone 4f and azo‐6a compounds demonstrated MIC values against Streptococcus faecalis and Escherichia coli equal to 3.91 and 7.81 μg/mL, respectively. Moreover, azo compound 6a showed MIC value equal to 3.91 μg/mL against Enterobacter cloacae species. Additionally, derivative 4f exhibited a significant inhibitory profile against the E. coli gyrase A enzyme (IC50 = 5.53 μg/mL). On the other hand, compound 6a (IC50 14.05 μg/mL) exhibited the lowest DNA gyrase inhibitory activity as compared to compounds 4f and reference standard drug novobiocin, IC50 5.53 and 1.88 μg/mL, respectively. Pharmacokinetic and pharmacodynamic profiles and molecular docking studies for the two most promising molecules 4f and 6a were computed and revealed that both compounds have good ADME profiles and high binding affinity to DNA gyrase binding site.
Structure‐based improvement of the binding affinity and recognition specificity of peptide competitors to target pediatric IL‐5R/IL‐5 interaction by gluing halogen bonds at their complex interface
Authors: Chu Peipei , Sheng Yeping , Shen Chentao , Xia Yalin , Kong Lingjun , Sun Jiefan 
Published: November 2023

AbstractHuman interleukin‐5 (IL‐5) cytokine mediates the development of eosinophils and is involved in a variety of immune inflammatory responses that play a major role in the pathogenesis of childhood asthma, leukemia, and other pediatric allergic diseases. The immunomodulatory cytokine functions by binding to its cognate cell surface receptor IL‐5R in a sheet‐by‐sheet manner, which can be conformationally mimicked and competitively disrupted by a double‐stranded cyclic AF18748 peptide. In this study, we systematically examined the co‐crystallized complex structure of human IL‐5R with AF18748 peptide and rationally designed a halogen bond to glue at the protein–peptide complex interface by substituting the indole moiety of AF18748 Trp13 residue with a halogen atom (X = F, Cl, Br, or I). High‐level theoretical calculations imparted presence of the halogen bond between the oxygen atom (O) of IL‐5R Glu58 backbone and the halogen atom (X) of AF18748 Trp13 side chain. Experimental assays confirmed that the halogen bond can promote peptide binding moderately or considerably. More importantly, the halogen bond not only enhances peptide affinity to IL‐5R, but also improves peptide selectivity for its cognate IL‐5R over other noncognate IL‐R proteins. As might be expected, the affinity and selectivity conferred by halogen bond increase consistently in the order: H < F < Cl < Br < I. Structural modeling revealed that the halogen bond plus its vicinal π–cation–π stacking co‐define a ringed noncovalent system at the complex interface, which involves a synergistic effect to effectively improve the peptide binding potency and recognition specificity.
The Psychological, Physiological, and Behavioral Responses of Patients to Magnetic Resonance Imaging (MRI): A Systematic Review and Meta‐Analysis
Authors: Madl Janika E.M. , Nieto Alvarez Isabel , Amft Oliver , Rohleder Nicolas , Becker Linda 
Published: November 2023

BackgroundMRI is generally well‐tolerated although it may induce physiological stress responses and anxiety in patients.PurposeInvestigate the psychological, physiological, and behavioral responses of patients to MRI, their evolution over time, and influencing factors.Study TypeSystematic review with meta‐analysis.Population181,371 adult patients from 44 studies undergoing clinical MRI.AssessmentPubmed, PsycInfo, Web of Science, and Scopus were systematically searched according to the Preferred Reporting Items for Systematic Reviews and Meta‐Analyses guidelines. Quality appraisal was conducted with the Joanna Briggs Institute critical appraisal tools. Meta‐analysis was conducted via Meta‐Essentials workbooks when five studies were available for an outcome. Psychological and behavioral outcomes could be analyzed. Psychological outcomes were anxiety (State–Trait‐Anxiety Inventory, STAI‐S; 37) and willingness to undergo MRI again. Behavioral outcomes included unexpected behaviors: No shows, sedation, failed scans, and motion artifacts. Year of publication, sex, age, and positioning were examined as moderators.Statistical TestsMeta‐analysis, Hedge's g. A P value <0.05 was considered to indicate statistical significance.ResultsOf 12,755 initial studies, 104 studies were included in methodological review and 44 (181,371 patients) in meta‐analysis. Anxiety did not significantly reduce from pre‐ to post‐MRI (Hedge's g = −0.20, P = 0.051). Pooled values of STAI‐S (37) were 44.93 (pre‐MRI) and 40.36 (post‐MRI). Of all patients, 3.9% reported unwillingness to undergo MRI again. Pooled prevalence of unexpected patient behavior was 11.4%; rates for singular behaviors were: Failed scans, 2.1%; no‐shows, 11.5%; sedation, 3.3%; motion artifacts, 12.2%. Year of publication was not a significant moderator (all P > 0.169); that is, the patients' response was not improved in recent vs. older studies. Meta‐analysis of physiological responses was not feasible since preconditions were not met for any outcome.Data ConclusionAdvancements of MRI technology alone may not be sufficient to eliminate anxiety in patients undergoing MRI and related unexpected behaviors.Level of Evidence1Technical EfficacyStage 5
The 20th century and its new colours: Investigating the molecular structures of historical synthetic dyes using Raman spectroscopy
Authors: Ciccola Alessandro , McClure Kathryn Raeburn , Serafini Ilaria , Vincenti Flaminia , Montesano Camilla , Gentili Alessandra , Curini Roberta , Favero Gabriele , Postorino Paolo 
Published: November 2023

AbstractCharacterising synthetic dyes on heritage textiles represents a relatively recent research frontier, which aims to obtain new information about the evolution of textile manufacturing and industrial chemistry. Whilst spectral enhancement or amplification methods are often considered a requirement for the Raman analysis of textile dyes, this work highlights the potential of standard Raman spectroscopy for the non‐invasive analysis of synthetically dyed fibres. In this research, Raman spectroscopy was used for the chemical characterisation of early 20th century synthetic dyes, in both powder form and on dyed fibres. The dyes were produced by the Italian company Azienda Coloranti Nazionali e Affini (ACNA) and housed in the Sapienza University Museum of Chemistry. The investigation first employed literature research into the ACNA's commercial nomenclature. This information was used to hypothesise likely molecular structures of the dyes, pointing towards the azo dye class. The application of Raman spectroscopy confirmed these hypotheses and the high‐quality spectra collected provided structural information about the dye molecules. Spectral features of azo‐groups, aromatic moieties, and substituents were observable in spectra. Comparison with a Raman spectrum of wool allowed confident dye signal attribution, and some spectra displayed features linked to changes in the fibre during the dyeing process. Combining literature research and Raman vibrational information proved a powerful non‐invasive approach for the characterisation of synthetic dyes, allowing molecular identification of some colorants and structural information for most. Standard Raman spectroscopy may provide a widely applicable, non‐invasive method for acquiring information about synthetically dyed historical and artistic textiles in future research.
Investigation of slip characteristics and contact area evolution of rough rock discontinuity under impact shear load
Authors: Fan Lifeng , Li Han , Xi Yan , Wang Meng 
Published: November 2023

AbstractThis study investigated theshear slip behavior and contact area evolution of rough rock discontinuities with impact shear load. First, the dynamic impact shear numerical simulation of rock samples with real rough rock discontinuities was carried out. Subsequently, the variety rule of slip displacement and velocity of rock discontinuity with impact velocity, confining stress and joint roughness coefficient (JRC) was studied. The variation in contact area and shear stress of rock discontinuity during shear was assessed. Finally, the effect of frictional force on the slip displacement and velocity and the effect of contact area and frictional force on the shear stress distribution were analyzed. The results showed that the slip displacement, velocity and shear stress are rate dependent. The slip displacement and velocity increase as the impact velocity increases and decrease as the confining stress and JRC increase. The contact area and shear stress distribution range of rock discontinuities decrease slightly as the impact velocity increases but increase significantly as the confining stress and JRC increase. The shear stress distribution range of rock discontinuities closely correlates with the contact area. The shear stress in the non‐contact area is zero. The shear stress distribution range increases as the contact area increases. The average shear stress increases as the frictional force increases. Moreover, the slip displacement and velocity of rock discontinuities decrease linearly as the frictional force increases.
Investigating the origin of the 13C lactate signal in the anesthetized healthy rat brain in vivo after hyperpolarized [1‐13C]pyruvate injection
Authors: Zhu Minjie , Jhajharia Aditya , Josan Sonal , Park Jae Mo , Yen Yi‐Fen , Pfefferbaum Adolf , Hurd Ralph E. , Spielman Daniel M. , Mayer Dirk 
Published: November 2023

AbstractThe goal of this study was to investigate the origin of brain lactate (Lac) signal in the healthy anesthetized rat after injection of hyperpolarized (HP) [1‐13C]pyruvate (Pyr). Dynamic two‐dimensional spiral chemical shift imaging with flow‐sensitizing gradients revealed reduction in both vascular and brain Pyr, while no significant dependence on the level of flow suppression was detected for Lac. These results support the hypothesis that the HP metabolites predominantly reside in different compartments in the brain (i.e., Pyr in the blood and Lac in the parenchyma). Data from high‐resolution metabolic imaging of [1‐13C]Pyr further demonstrated that Lac detected in the brain was not from contributions of vascular signal attributable to partial volume effects. Additionally, metabolite distributions and kinetics measured with dynamic imaging after injection of HP [1‐13C]Lac were similar to Pyr data when Pyr was used as the substrate. These data do not support the hypothesis that Lac observed in the brain after Pyr injection was generated in other organs and then transported across the blood–brain barrier (BBB). Together, the presented results provide further evidence that even in healthy anesthetized rats, the transport of HP Pyr across the BBB is sufficiently fast to permit detection of its metabolic conversion to Lac within the brain.