bluuebunny/crossref_metadata_2025_split huggingface dataset:
Unveiling the Novel Mechanistic Insights and Role of Base in Zn‐Catalyzed Csp–Csp2 Cross‐Coupling Reaction
Authors: Rajalakshmi C. , Krishnaveni G. , Varghese Binuja , Gopan Anandhu , Thomas Vibin Ipe 
Published: November 2024

ABSTRACTA detailed mechanistic investigation of the Zn (II)‐catalyzed Csp–Csp2 (Sonogashira‐type) cross‐coupling reaction is reported herein, using the Density Functional Theory method. The present study unveiled an unconventional non‐redox mechanism for Zn‐catalyzed cross‐coupling reaction, where the oxidation state of Zn remains intact throughout the catalytic cycle. Our study further revealed the significant role of the base in controlling the feasibility of cross‐coupling reactions that are catalyzed by electron‐deficient metal centers. Our study indicates that K3PO4 acts as an ancillary ligand (Lewis base) for the electron‐deficient Zn (II) catalytic center rather than as a proton abstractor for the nucleophilic coupling partner (phenylacetylene) in this reaction. The active catalyst was identified to be a four‐coordinate bis‐DMEDA Zn (II) complex. The mechanism proceeds via the initial activation of the nucleophilic coupling partner (phenylacetylene), followed by the electrophilic coupling partner (organic halide) activation liberating the cross‐coupled product by a concerted nucleophilic substitution pathway. The turn‐over limiting step was identified to be the activation of the electrophilic coupling partner. The activation barrier obtained for the reaction, 31.0 kcal/mol concords well with experimental temperature requirements (125°C). The coordination by base is found to stabilize the rate‐determining intermediates and transition states involved in the reaction. The mechanistic insights gained from this study could aid in the rational design and development of sustainable cross‐coupling reactions using zinc as the catalyst.
Heart ultrasound and biomechanical evaluation of radiation‐induced heart toxicity using transthoracic echocardiogram (TTE) and dynamic mechanical analysis (DMA)
Authors: Wang Yuenan , Guan Fada , Ouyang Fukun , Yuan Hongyan , Su Ming , Ding Xuanfeng 
Published: November 2024

AbstractRadiation‐induced heart disease (RIHD) is a serious complication but difficult to assess in patients undergoing thoracic radiotherapy (RT). We aim to analyze RIHD using heart ultrasound and elastic modulus, exploring relationships between functional, anatomical or biomechanical changes of the heart and radiation dose.Twenty BALB/c mice were divided into four groups (control, 10 Gy, 20 Gy and 25 Gy) with a single fraction of image‐guided volumetric modulated arc radiotherapy (VMAT) to murine heart on a linear accelerator. Transthoracic echocardiography (TTE) was performed on a small‐animal ultrasound imaging system with a handheld microscan transducer. E‐wave/A‐wave ratio (E/A) and myocardial performance index (MPI) for diastolic performance were noninvasively evaluated weekly, as well as ejection fraction (EF%), fractional shortening (FS%), left ventricle (LV) mass and heart wall thickening for systolic performance. At the end of the fifth week, all mice were sacrificed for elastic modulus measurement on a dynamic mechanical analyzer (DMA) and for histopathological staining. All experiments were conducted in accordance with the local institution's animal research committee guideline.Significant difference was observed in E/A ratio between the control and 25 Gy irradiated groups (1.8±0.5 and 0.7±0.9, respectively; p<0.05), indicating reduced diastolic performance and increased stiffness in left ventricle after high‐dose heart radiation. Diastolic dysfunction in irradiated groups was also observed with significantly increased MPI. In contrast, posterior wall thickness, aortic peak velocity, heart rate, EF and FS were not significantly different after RT. Heart elasticity was reduced substantially with the increased radiation dose. HE and Masson Trichrome staining confirmed more fibrosis deposition in irradiated hearts.RIHD evaluation with ultrasound imaging noninvasively and biomechanical modulus measurement invasively in the image guided, precision dose‐escalated murine heart irradiation is feasible. Increased myocardial stiffness, abnormal diastolic relaxation, more collagen deposition, and reduced tissue elasticity are observed in irradiated heart tissue. This study may facilitate our understanding of RIHD and facilitate improving patients’ quality of life in the future.
Toward a Cultural Sustenance View of Reading
Authors: Nash Kindel Turner , Peele Roderick , Elson Kerry , Arce Alicia , Sumner Erik , Polson Bilal 
Published: November 2024

AbstractThis article highlights a Cultural Sustenance View of Reading (CSVR), a complex reader model illuminated by vivid findings from an eight‐year collaborative classroom‐based study and extensive reviews of cognitive and sociocultural research. Within the CSVR, reading is conceptualized as being shaped by a readers' culturally and linguistically situated knowledge (ways of knowing), experiences and relationships (ways of being), and cognitive reading processes (ways of reading) which overlap and interact through the non‐linear, active process of culturally mediated cognition. In extending the CSVR, the authors hope to supplant long‐ standing false dichotomies between the cognitive and sociocultural functions within the human experience of reading. In doing so, we hope to advance ideas about how learning to read can foster cultural sustenance—with children and their lifeways centered as full and complete.
Morphometric analysis and watershed delineation of the Karnaphuli river basin: A comparative study using different DEMs in Chittagong, Bangladesh
Authors: Roy Sujit Kumar , Chowdhury Md. Arif 
Published: November 2024

AbstractThe present study aimed to delineate a robust watershed boundary and extract its morphometric parameters in the Karnaphuli watershed, Bangladesh, using different digital elevation models (DEMs). Two DEMs, the shuttle radar topographic mission (SRTM) and the terra advanced spaceborne thermal emission and reflection radiometer (ASTER), were employed to delineate watershed boundaries and evaluate various morphometric characteristics. Raster data such as fill sinks, flow direction, and flow accumulation were utilized to delineate the watershed. The morphometric analysis included the estimation of linear, areal, and relief parameters. The findings revealed a noticeable difference between the datasets; ASTER delineated a larger watershed area than SRTM. Regarding stream order, there were streams ranging from 1st to 6th order, encompassing numerous small, medium, and main channels of the river. Drainage density was calculated as 0.52 km/km² for SRTM and 0.51 km/km² for ASTER, both having a spatial resolution of 30 m. The bifurcation ratio ranged from 1.94 for SRTM to 2.45 for ASTER, indicating varying degrees of structural disturbance influenced by geological factors. The form factor indicated an elongated shape of the study area. The overall dimensions of the streams and the watershed extent suggest moderate mean annual rainfall discharge. The watershed exhibited relatively high denudation rates, attributed to the basin relief. A low drainage density indicated the importance of infiltration processes. The findings of this study provide valuable insights into the spatial variability of watershed characteristics, highlighting the need for tailored management strategies for the Karnaphuli River. Implementing targeted conservation measures and watershed management practices based on these morphometric parameters can enhance water resource sustainability and ecological health in the region.
Controlling the Crystalline Quality and Yield of Single‐Walled Carbon Nanotubes via Floating Catalyst Chemical Vapor Deposition Synthesis
Authors: Chang Yi , Yang Jinsong , Qi Bin , Yuan Xinxin , Huang Hailu , Xu Lele , Zhang Hualian , Huai Yangyang 
Published: November 2024

AbstractCarbon nanotubes (CNTs) were synthesized by floating catalyst chemical vapor deposition (FCCVD) reactions. The complicated processing parameters that included a precursor solution composition, reaction temperature, flow rate of the carrier gas, weak oxidants, and injection rate of the precursor solution were controlled to synthesize single‐walled carbon nanotubes (SWCNTs) during the reaction process. The effects of the processing parameters were analyzed with respect to the formation of SWCNTs, yield, and the crystallinity in the CNTs structure. The SWCNTs were characterized by the Raman spectroscopy, scanning electron microscope, high‐resolution transmission electron microscopy, and thermogravimetric analysis. A high reaction temperature, high H2 flow rate, low injection rate of solution precursor, and low concentrations of iron catalysts in the reaction were important factors to improve the crystalline quality of the SWCNTs. The purity of the initial product grown by the standard process was more than 90 wt %, with a yield of 0.5 g/h. The average G/D ratio of the initial product was 178, and it had a distinct RBM peak. HRTEM confirmed that the synthesized SWCNTs had high purity and crystallinity. The SWCNTs could be tunable to meet a particular application by varying the reaction conditions.
Identification and Characterization of a Novel Protein Drug Target WP_145928235.1 in Providencia Through Subtractive Proteomics and Molecular Dynamics Simulations
Authors: Paul Ishani , Roy Alankar , Dutta Shounak , Sarkar Tista , Ghosh Sutapa , Ray Sujay 
Published: November 2024

AbstractProvidencia stuartii, the most prevalent strain in its genus, is a significant cause of a range of potentially fatal diseases involving urinary tract infections, lung diseases, and endocarditis, often exhibiting resistance to multiple antibiotics, necessitating alternative therapeutic approaches. Unlike previous efforts focused on known virulence factors, this study delves into the physicochemical and functional characterization of 72 essential hypothetical proteins (EsHPs) from the P. stuartii BE246 genome. Subcellular localization identified 47 cytoplasmic EsHPs as potential drug targets, with the remainder 25 identified as vaccine targets. Subtractive analysis uncovered 68 virulent proteins, 4 of which were nonhomologous to both host and gut microbiota proteomes. Among these, WP_145928235.1 (147 amino acids), a cytoplasmic EsHP, emerged as a novel drug target due to its homologous broad‐spectrum hit. WP_145928235.1 displayed an instability index (II) of 33.14, an aliphatic index of 92.79, and the GRAVY score was ‐0.065 (hydrophilic). Molecular dynamics simulation‐aided conformational study and secondary structure analysis highlighted the protein's flexibility and propensity to interact with inhibitors. Key residues in the 60–90 region, including Asn62, Gly75, Glu81, and Asp85, were critical for interactions and stability, with low frustration indicating residual conservancy. WP_145928235.1 presents a promising target for therapeutic intervention against multidrug‐resistant P. stuartii infections.
Exploring the Utility of a Real‐Time Approach to Characterising Within‐Person Fluctuations in Everyday Stress Responses
Authors: Toledo Meynard John L. , Zawadzki Matthew J. , Scott Stacey B. , Johnson Jillian A. , Marcusson‐Clavertz David , Kim Jinhyuk , Lanza Stephanie , Almeida David M. , Sliwinski Martin J. , Smyth Joshua M. 
Published: November 2024

ABSTRACTFew studies have measured components of stress responses in real time—an essential step in designing just‐in‐time interventions targeting moments of risk. Using ecological momentary assessment (EMA), we characterised stress response components to everyday stressors, including reactivity (the response following a stressor), recovery (the return towards baseline), and pile‐up (the accumulation of stressors) (RRPs) by quantifying the dynamics of response indicators (i.e., subjective stress, negative affect, and perseverative cognition). To determine the utility of these novel measures in capturing and characterising acute moments of the stress response, this study evaluated the proportion of variance in RRPs attributed to (1) between‐person, (2) between‐days, and (3) within‐day (momentary) levels. Healthy adults (n = 123; aged 35–65, 79% women, 91% non‐Hispanic White) participated in a 14‐day study assessing stress response via EMA 6 times a day. RRPs were constructed from 10,065 EMA reports. Multilevel models with moments nested within days nested within persons were used to partition variance in the RRPs. Reactivity and recovery indicators captured the most variation within‐days (i.e., across moments; range 76%–80% and 87%–89%, respectively), with small amounts of variance between‐person. For pile‐up, variation was mostly observed between‐days (range 60%–63%) and between‐persons (range 27%–31%). In contrast, raw measures of stress response reflected substantial between‐person (range 32%–54%) and within‐day (range 34%–53%) variance. These results demonstrated that a person‐specific approach to measuring stress response components (i.e., RRPs) can capture the dynamic within‐person variation in stress response, as it occurs in real time, making it well‐suited for use in novel just‐in‐time interventions targeting moments of risk.
Advancing Cancer Vaccines with Radionuclide Imaging
Authors: Cheng Sixuan , Long Xingru , Zhang Yongxue , Lan Xiaoli , Jiang Dawei 
Published: November 2024

AbstractCancer vaccines are emerged as a beacon of hope in the fight against cancer. However, the lack of effective methods to directly observe their in vivo behavior and monitor therapeutic responses hinders their translation into clinical settings. Radionuclide imaging allows for non‐invasive and real‐time visualization of vaccine biodistribution and immunological response, offering valuable insights into the effectiveness of cancer vaccines and aiding in patient stratification. In this review, the latest advances and potential applications of radionuclide imaging in cancer vaccines are discussed, with a specific focus on strategies for visualizing the spatiotemporal distribution of vaccines in vivo and monitoring treatment efficacy. The challenges and considerations for implementing these techniques in clinical practice are also highlighted, aiming to inform and guide future research in this field.
Activating Ultralong Room‐Temperature Phosphorescence of Mono‐Ring Arylboronic Acid by Hydrogen Bond for Tunable Afterglow Color and Stimulus Response
Authors: Liu Meina , Mao Zhiwei , Wang Yaqin , Kong Weili , Huang Jing , Li Weihua , Yang Zhengjin , Huang Xianhuai , Zou Wen‐Sheng , Yu Han‐Qing 
Published: November 2024

AbstractActivating the ultralong room‐temperature phosphorescence (RTP) of mono‐ring arylboronic acid remains a great challenge, because the capacious free spaces shaped by a rubbery polymeric matrix allow the benzene ring skeleton to freely rotate. Herein, the ultralong RTP in mono‐ring arylboronic acid derivatives embedded in a polyvinyl alcohol (PVA) matrix is activated, leveraging enhanced intermolecular and intramolecular hydrogen bonding and activating ultralong RTP. By incorporating diverse PBA derivatives into PVA via click chemistry, 3‐aminophenylboronic acid (3A‐PBA) doped PVA films showcase the most extended RTP lifetimes (2.24 s) and a high quantum yield (11.2%), alongside rapid and sensitive explosive vapor detection capabilities. These findings not only address the activation challenges of RTP in organic systems by highlighting the crucial role of hydrogen bonding and Förster resonance energy transfer in color tunability, but also mark a significant stride toward overcoming the limitations of current luminescent materials. This work heralds a new era in the development of organic phosphorescent materials, offering a promising strategy for broadening their practical applications and enhancing performance, particularly in environmental monitoring and security.
2D Nano‐Photosensitizer Facilitates Proximity Labeling for Living Cells Surfaceome Deciphering
Authors: Qianqian Jiang , He Wang , Kaiguang Yang , Baofeng Zhao , Zhen Liang , Yukui Zhang , Bo Jiang , Lihua Zhang 
Published: November 2024

AbstractPhotocatalytic proximity labeling has shown great promise for mapping the spatiotemporal dynamics of surfaceome. Although cell‐surface targeting photosensitizers relying on antibodies, lipid molecules, and metabolic labeling have gained effects, the development of simpler and stable methods that avoid complex chemical synthesis and biosynthesis steps is still a huge challenge. Here, the study has introduced 2D nanomaterials with the ability of cell surface engineering to perform the in situ anchoring of photosensitizer on living cell surface. Photosensitizer can be stabilized on nanomaterials by coordination after one‐step mixing, resulting in the nano‐photosensitizer combining cell surface targeting ability and photosensitivity that allowing surface‐specific proximity labeling. Nano‐photosensitizer can be dispersed stably in aqueous solution, avoiding the defects of poor water solubility and aggregation of traditional organic photosensitizers. Singlet oxygen is generated locally under light irradiation, enabling spatiotemporally‐resolved activating and labeling of cell surface proteome. Further application in the brain metastatic lung cancer has been found effective with numerous quantified differential cell surfaces proteins highly correlated with cancer metastasis and three potential players have been validated via immunoblotting and immunofluorescence, providing important insights for metastasis supported molecular mechanism.
A CW‐Pumped Dye Nanolaser With an Optimized Nanocavity
Authors: Wei Yueyue , Yang Yao , Du Yuanyuan , Zeng Ning , Chen Ziqiu , Liu Bowen 
Published: November 2024

AbstractPlasmonic nanolasers, which are promising coherent light sources for integrated photonics, super‐resolution imaging, and ultrasensitive sensing applications, face the challenge of high thresholds due to inherent losses in plasmonic nanocavities. While considerable efforts have been made to improve the Q factor, typically quantified by the full width at half maximum (FWHM), intensity (ΔI) is another critical feature of plasmonic resonance. However, the combined influence of both the Q factor and resonance intensity of a plasmonic nanocavity on nanolasing threshold has not been sufficiently explored, as experimentally controlling one variable while keeping the other constant is challenging. Here, an ultra‐low threshold plasmonic nanolaser is demonstrated by systematically optimizing the plasmonic nanocavity. By carefully controlling both the FWHMs and resonance intensities of the plasmonic resonators, a record low threshold of 2.6 µJ cm−2 for a dye‐based nanolaser is achieved at room temperature– an order of magnitude lower than previous records. In addition, nanolasing under continuous‐wave (CW) excitation is reported at room temperature gained by the same dye molecule. The results provide new insights into the design of high‐performance plasmonic nanolasers and offer a promising path toward realizing applications of nanoscale coherent light sources.
Strategy for Enhancing Catalytic Active Site: Introduction of 1D material InSeI for Electrochemical CO2 Reduction to Formate
Authors: Jeon Jiho , Bang Hyeon‐Seok , Ko Young‐Jin , Kang Jinsu , Zhang Xiaojie , Oh Cheoulwoo , Kim Hyunchul , Choi Kyung Hwan , Woo Chaeheon , Dong Xue , Lee Woong Hee , Yu Hak Ki , Choi Jae‐Young , Oh Hyung‐Suk 
Published: November 2024

AbstractThe presence of oxygen vacancies (Vo) in electrocatalysts plays a significant role in improving the selectivity and activity of CO2 reduction reaction (CO2RR). In this study, 1D material with large surface area is utilized to enable uniform Vo formation on the catalyst. 1D structured indium selenoiodide (InSeI) is synthesized and used as an electrocatalyst for the conversion of CO2 to formate. The electrochemical treatment of InSeI leads to the leaching of Se and I from the catalyst surface and the formation of Vo. The resulting Vo promotes the activity of the CO2RR, which increases the local pH of the catalyst surface and chemically maintains the oxidized metal sites on the catalyst. Owing to these characteristics, activated In wire exhibited remarkable CO2RR activity, thereby surpassing 93% FEformate at 500 mA cm−2, with a maximum of 97.3% FEformate at 100 mA cm−2. Moreover, the catalytic activity remained consistent for over 50 h at 100 mA cm−2 (FEformate >88%). Thus, the findings imply that using 1D materials can facilitate the formation of oxygen vacancies on the catalyst surface and improve the selectivity and durability of CO2RR. This indicates the potential for further research on 1D materials as electrocatalysts.
Does corruption discriminate? Racial opportunity gap in the United States
Authors: Dincer Oguzhan , Hoover Gary 
Published: November 2024

AbstractIn this study, we investigate the effects of corruption on the inequality of opportunity between Blacks and Whites, which is the main cause of economic inequality between these two racial groups. To our knowledge, this is the first study investigating the relationship between the two. Using data from U.S. counties we find that corruption, in fact, is associated with an increase in opportunity gap between Blacks and Whites and the effects of corruption are stronger in more segregated counties.
Bond of FRP bars in fine‐grained alkali‐activated concrete
Authors: Tekle Biruk Hailu , Holschemacher Klaus , Cui Yifei , Li Zongjun 
Published: November 2024

AbstractAlkali‐activated cement (AAC) is an alternative binder with a promising potential to replace ordinary Portland cement (OPC) and mitigate its environmental issues. The use of fiber‐reinforced polymer (FRP) reinforcements with AAC concrete enables the development of corrosion‐resistant, environmentally friendly reinforced concrete structures. Bond behavior is critical in reinforced concrete structures and must be thoroughly studied for such new alternative materials. This study employs pullout tests to investigate the bond behavior between FRP bars and fine‐grained AAC concrete. Three fine‐grained AAC concretes with low to high strength, glass and carbon FRP bars and wrapped, milled, and smooth surface treatments were examined. The effect of bar casting position was also investigated. The compressive strength showed a significant influence on the bond strength. An average bond strength of approximately 18 MPa was observed for both glass and carbon FRP bars when used with 65 MPa concrete. Both the glass and carbon FRP bars with wrapping showed a lower bond strength than their milled FRP bars counterparts. The carbon bars without surface preparation (smooth bars) resulted in a much lower bond strength, around 4 MPa. In terms of casting positions, the bars cast in the middle section of the concrete block showed a higher bond strength than those at the bottom and top.