bluuebunny/crossref_metadata_2025_split huggingface dataset:
Tracking the Impact of Koch‐Carbonylated Organics During the Zeolite ZSM‐5 Catalyzed Methanol‐to‐Hydrocarbons Process
Authors: Zhou Hexun , Gong Xuan , Abou‐Hamad Edy , Ye Yiru , Zhang Xin , Ma Pandong , Gascon Jorge , Chowdhury Abhishek Dutta 
Published: January 2024

AbstractA methanol‐based economy offers an efficient solution to current energy transition challenges, where the zeolite‐catalyzed methanol‐to‐hydrocarbons (MTH) process would be a key enabler in yielding synthetic fuels/chemicals from renewable sources. Despite its original discovery over half a century ago over the zeolite ZSM‐5, the practical application of this process in a CO2‐neutral scenario has faced several obstacles. One prominent challenge has been the intricate mechanistic complexities inherent in the MTH process over the zeolite ZSM‐5, impeding its widespread adoption. This work takes a significant step forward by providing critical insights that bridge the gap in our understanding of the MTH process. It accomplishes this by connecting the (Koch‐carbonylation‐led) direct and dual cycle mechanisms, which operate during the early and steady‐state phases of MTH catalysis, respectively. To unravel these mechanistic intricacies, we have performed catalytic and operando (i.e., UV/Vis coupled with an online mass spectrometer) and solid‐state NMR spectroscopic‐based investigations on the MTH process, involving co‐feeding methanol and acetone (cf. a key Koch‐carbonylated species), including selective isotope‐labeling studies. Our iterative research approach revealed that (Koch−)carbonyl group selectively promotes the side‐chain mechanism within the arene cycle of the dual cycle mechanism, impacting the preferential formation of BTX fraction (i.e., benzene‐toluene‐xylene) primarily.
2,2′‐Tethered Binaphthyl‐Embedded One‐Handed Helical Ladder Polymers: Impact of the Tether Length on Helical Geometry and Chiroptical Property
Authors: Ikai Tomoyuki , Mishima Namiki , Matsumoto Takehiro , Miyoshi Sayaka , Oki Kosuke , Yashima Eiji 
Published: January 2024

AbstractSynthetic breakthroughs diversify the molecules and polymers available to chemists. We now report the first successful synthesis of a series of optically‐pure 2,2′‐tethered binaphthyl‐embedded helical ladder polymers based on quantitative and chemoselective ladderization by the modified alkyne benzannulations using the 4‐alkoxy‐2,6‐dimethylphenylethynyl group as the alkyne source, inaccessible by the conventional approach lacking the 2,6‐dimethyl substituents. Due to the defect‐free helix formation, the circular dichroism signal increased by more than 6 times the previously reported value. The resulting helical secondary structure can be fine‐tuned by controlling the binaphthyl dihedral angle in the repeating unit with variations in the 2,2′‐alkylenedioxy tethering groups by one carbon atom at a time. The optimization of the helical ladder structures led to a strong circularly polarized luminescence with a high fluorescence quantum yield (28 %) and luminescence dissymmetry factor (2.6×10−3).
Operando imaging in electrocatalysis: insights into microstructural materials design
Authors: Fan Lei , Chen Shurui , Zhang Weidong , Liu Yong , Chen Yan , Mao Xianwen 
Published: January 2024

AbstractElectrocatalysis plays a pivotal role in renewable energy conversion and associated chemical production, enabling a variety of emerging sustainability technologies with societal impacts. Achieving marked improvement in electrocatalytic performance relies on a deep understanding of catalyst microstructures and catalytic mechanisms, with a particular emphasis on the detailed, spatiotemporally resolved characterizations of the underlying fundamental electrocatalytic processes. This fundamental need drives the development of operando imaging techniques, which improve the ability to detect dynamic structural changes in electrocatalysts and establish clear structure‐performance relationships for morphologically complex, hierarchically structured catalytic materials. This review aims to highlight significant advancements in the application of operando imaging techniques to develop a deeper understanding of important heterogeneous electrocatalytic reactions critical for emerging sustainability technologies. We summarize the up‐to‐date key mechanistic insights regarding these reactions achieved through a range of operando imaging techniques, including electron microscopies, X‐ray imaging techniques, scanning probe microscopies, and optical microscopies. We conclude by pointing out emerging directions and future prospects within the field of operando imaging in electrocatalysis.
A comparison of strategies for selecting auxiliary variables for multiple imputation
Authors: Mainzer Rheanna M. , Nguyen Cattram D. , Carlin John B. , Moreno‐Betancur Margarita , White Ian R. , Lee Katherine J. 
Published: January 2024

AbstractMultiple imputation (MI) is a popular method for handling missing data. Auxiliary variables can be added to the imputation model(s) to improve MI estimates. However, the choice of which auxiliary variables to include is not always straightforward. Several data‐driven auxiliary variable selection strategies have been proposed, but there has been limited evaluation of their performance. Using a simulation study we evaluated the performance of eight auxiliary variable selection strategies: (1, 2) two versions of selection based on correlations in the observed data; (3) selection using hypothesis tests of the “missing completely at random” assumption; (4) replacing auxiliary variables with their principal components; (5, 6) forward and forward stepwise selection; (7) forward selection based on the estimated fraction of missing information; and (8) selection via the least absolute shrinkage and selection operator (LASSO). A complete case analysis and an MI analysis using all auxiliary variables (the “full model”) were included for comparison. We also applied all strategies to a motivating case study. The full model outperformed all auxiliary variable selection strategies in the simulation study, with the LASSO strategy the best performing auxiliary variable selection strategy overall. All MI analysis strategies that we were able to apply to the case study led to similar estimates, although computational time was substantially reduced when variable selection was employed. This study provides further support for adopting an inclusive auxiliary variable strategy where possible. Auxiliary variable selection using the LASSO may be a promising alternative when the full model fails or is too burdensome.
Antimicrobial and Antiproliferative Effects of Zingiberaceae Oils: A Natural Solution for Oral Health
Authors: Amil Muhammad Amirul , Rahman Syarifah Nur Syed Abdul , Yap Lee Fah , Razak Fathilah Abdul , Bakri Marina Mohd , Salem Lamis S. O. , Lim Xiu Yi , Reduan Nur Athirah , Sim Kae Shin 
Published: January 2024

AbstractEssential oils have been recognised for their potential benefits in oral care. The aim of this study was to evaluate the antibacterial and antiproliferative activity of essential oils derived from four Zingiberaceae species. A combination of GC/MS and GC‐FID was employed to analyse these essential oils. The results showed that β‐myrcene (79.77 %) followed by ethyl‐cinnamate (40.14 %), β‐curcumene (34.90 %), and alloaromadendrene (25.15 %) as the primary constituents of Curcuma mangga, Curcuma xanthorrhiza, Kaempferia galanga and Curcuma aeruginosa, respectively. The Zingiberaceae oils were tested for their antibacterial activity against oral bacteria using the disc diffusion test. Curcuma xanthorrhiza oil showed the largest inhibition zones against Streptococcus mitis (19.50±2.22 mm) and Streptococcus sanguinis (15.04±3.05 mm). Similarly, Curcuma mangga oil exhibited significant antibacterial activity against Streptococcus mutans (12.55±0.45 mm) and mixed oral bacteria (15.03±3.82 mm). Furthermore, the MTT viability assay revealed moderate inhibitory activity of these essential oils against H103 and ORL‐204 oral cancer cells. The study findings demonstrate that Curcuma xanthorrhiza and Curcuma mangga essential oils have potent antibacterial properties, suggesting their potential use as natural alternatives to synthetic antibacterial agents in oral care products. However, further investigations are necessary to fully explore their therapeutic applications.
Targeting PI3K/p‐Akt/eNOS, Nrf2/HO‐1, and NF‐κB/p53 signaling pathways by angiotensin 1–7 protects against liver injury induced by ischemia–reperfusion in rats
Authors: Ali Fatma Farrag , Mohammed Mostafa Mourad , Hussein Youssef , Ibrahim Manar Fouli Gaber 
Published: January 2024

AbstractThe liver is an important organ, and hepatic ischemia–reperfusion (IR) injury is a frequent pathophysiological process that can cause significant morbidity and mortality. Thus, our study aimed to investigate the effect of targeting PI3K/p‐Akt/eNOS (phosphoinositide 3‐kinase/phospho‐protein kinase B/endothelial nitric oxide synthase), Nrf2/HO‐1 (nuclear factor‐erythroid 2‐related factor‐2/heme oxygenase‐1), and NF‐κB/p53 (nuclear factor‐κB/tumor protein 53) signaling pathways by using angiotensin (1–7) [ang‐(1–7)] against hepatic injury induced by IR. Thirty‐two male rats were included in sham group, ang‐(1–7)‐treated group, hepatic IR group, and hepatic IR group treated with ang‐(1–7). The levels of hepatic ang‐(1–7), angiotensin II (Ang II), angiotensin‐converting enzyme 2 (ACE2), HO‐1, malondialdehyde (MDA), PI3K, and p‐Akt were assessed. The expressions of eNOS and B‐cell leukemia/lymphoma‐2 (BCL‐2) in the liver were determined. Histological assessment and immunohistochemical expression of NF‐κB, p53, and Nrf2 were carried out. The levels of reduced glutathione (GSH), aspartate aminotransferase (AST), alanine aminotransferase (ALT), tumor necrosis factor‐α (TNF‐α), and interleukin‐6 (IL‐6) in serum were estimated. Results showed that administration of ang‐(1–7) to hepatic IR rats led to significant amelioration of hepatic damage through a histological evaluation that was associated with significant upregulation of the expressions of PI3K/p‐Akt/eNOS and Nrf2/HO‐1 with downregulation of NF‐κB/p53 signaling pathways. In conclusion, PI3K/p‐Akt/eNOS and Nrf2/HO‐1 signaling pathways are involved in the protective effects of ang‐(1–7) against hepatic damage induced by IR. Therefore, ang‐(1–7) can be used to prevent hepatic IR, which occurs in certain conditions such as liver transplantation, hemorrhagic shock, and severe infection.
Simulation and Optimization of Biohydrogen Production from Biomass Feed via Anaerobic Digestion
Authors: Budhraja Neeraj , Pal Amit , Mishra Radhey Shyam 
Published: January 2024

AbstractBiomass energy is a renewable energy source that is carbon‐neutral, versatile, and can never go extinct. In the current study, a simulation model of an anaerobic digester with parameters such as pretreatment temperature (PTT), hydraulic retention time (HRT), and feed‐to‐water (F/W) ratio was developed and a design of experiment was created. The results showed that the higher hemicellulose content in sugarcane bagasse (SB) gave a decent H2 yield (13–23 %). The significance sequence was PTT > F/W > HRT. The optimal values were HRT of 15–16 d; F/W of 1.5 (SB), 1.26 [rice straw (RS)], and 0.5 [sawdust (SD)]; and PTT of 63.3 (SB), 68.8 (RS), and 75 °C (SD). The optimal H2 yield was 19.80 (SB), 20.94 (RS), and 21.41 % (SD). Therefore, the present simulation and optimization showed concrete results to raise H2 yield.
Opportunities and Challenges of Phosphorus‐based Anodes for Practical Battery Application
Authors: She Jiaxuan , Jin Hongchang , Ji Hengxing 
Published: January 2024

AbstractPhosphorus‐based anode materials have attracted considerable attention due to their high theoretical capacity, safe operational potential, and favorable redox chemistry for diverse alkali metal‐ion storage applications. Their excellent performance in lithium storage makes them promising candidates for fast‐charging batteries. However, challenges such as complex redox reactions, substantial volume expansion during lithiation, vulnerability to oxidation, and the lack of a mature mass production process hinder their further development. Current research predominantly focuses on establishing multilevel nanostructures or robust solid electrolyte interphases (SEI) to mitigate volume expansion. Nonetheless, a consensus within the academic community on the maximum degree of volume expansion for practical electrode application in cells is yet to be established. Furthermore, investigations into the kinetics of redox reactions, side reactions in the presence of air or electrolyte, and mass production processes for phosphorus‐based anodes are relatively limited. This comprehensive review meticulously examines these challenges, providing nuanced insights. Additionally, the review offers perspectives on potential advancements in phosphorus‐based anode development, contributing to the ongoing discourse on the future trajectory of research in this domain.
Production of gasohol by azeotropic distillation
Authors: Avilés‐Martínez Adriana , Patiño‐Herrera Rosalba , Cruz‐Valdez Jesús Alonso , Contreras‐Zarazúa Gabriel , Rodríguez‐Olalde Nancy Eloísa , Castro‐Montoya Agustín Jaime 
Published: January 2024

AbstractA new azeotropic distillation process is presented to produce gasohol in an adequate concentration of bioethanol and isooctane, which emulates the properties of gasoline ready to use in conventional combustion engines. Since the mixing step is eliminated, there are significant economic savings which imply a competitive price of bioethanol. A comparison is provided with the traditional bioethanol dehydration process, extractive distillation. Both processes were simultaneously designed and optimized with differential evolution with a Tabu list algorithm (DETL) in order to reduce the total annual cost (TAC). Results showed that when obtaining E10 biofuel, a blend of up to 10% ethanol and 90% unleaded isooctane, via azeotropic distillation, over 40% of the TAC is saved compared to obtaining pure alcohol dehydrating through extractive distillation. Moreover, the reduction in carbon dioxide emissions results in an average of 27%.
The value of preoperative neutrophil‐to‐lymphocyte ratio, platelet‐to‐lymphocyte ratio, and red blood cell distribution width in predicting positive surgical margin after laparoscopic radical prostatectomy
Authors: Wang Hao , Xie Dawei , Wang Siqi , Wu Liyang , Chu Yifan , Yang Pushen , He Weifeng , Wang Jianwen 
Published: January 2024

AbstractBackgroundProstate cancer (PCa) is one of the most common malignant tumors in men, and laparoscopic radical prostatectomy (LRP) is commonly used to treat localized and advanced PCa. Positive surgical margin (PSM) is one of the most frequent problems faced by surgeons.AimsThis study aimed to explore the value of the neutrophil‐to‐lymphocyte ratio (NLR), platelet‐to‐lymphocyte ratio (PLR), and red blood cell distribution width (RDW) in predicting PSM after LRP.Methods and ResultsThree hundred and twenty patients with PCa were admitted and underwent LRP in Beijing Chaoyang Hospital from January 2017 to June 2023. Patients were randomly divided into a training set (225 cases) and a validation set (95 cases) in a 7:3 ratio. NLR, PLR, and RDW were significantly higher in the PSM group than in the negative surgical margins (NSM) group. In addition, the NLR, PLR, and RDW values correlated with clinical T stage, Gleason score, and seminal vesicle invasion in the PSM group. In training set, ROC curve analysis revealed that the optimal cutoff values of NLR, PLR, and RDW for predicting postoperative PSM in PCa were 2.31, 115.40, and 12.85%, respectively. Multivariate Logistic regression analysis showed NLR and RDW were the clinical independent predictors. The area under the curve (AUC, 0.770, 95% CI 0.709–0.831) for postoperative PSM was the highest when a combination of the three parameters was used, with sensitivity and specificity of 62.5% and 85.2%, respectively. In validation set, the AUC values for NLR, PLR, RDW and the three markers combined were 0.708, 0.675, 0.723, and 0.780, respectively. Correlation analysis showed that in the PSM group, NLR was positively correlated with PLR and RDW, and PLR was positively correlated with RDW. By contrast, in the NSM group, a positive association was only found between NLR and PLR.ConclusionsHigher preoperative NLR, PLR, and RDW values were associated with postoperative PSM. Additionally, the three markers combined may be useful to predict PSM.
DML‐OFA: Deep mutual learning with online feature alignment for the detection of COVID‐19 from chest x‐ray images
Authors: Liang Zhihao , Lu Huijuan , Ming Zhendong , Chai Zhuijun , Yao Yudong 
Published: January 2024

SummaryCOVID‐19 is a novel coronavirus‐induced disease and automatic identification of COVID‐19 using computer‐assisted methods can facilitate faster diagnostic efficiency. Current research typically employs a single model for COVID‐19 identification, while implicit and complementary knowledge between heterogeneous networks is neglected. To address these issues, we propose a new model based on deep mutual learning with online feature alignment called DML‐OFA to more effectively diagnose COVID‐19. First, we use a traditional deep mutual learning (DML) framework to allow two parallel heterogeneous networks to learn from each other to form two effective feature extractors. In addition, we embed the adaptive feature fusion classifier and logits ensembling module in the proposed DML‐OFA, which can simultaneously learn implicit complementary knowledge from feature maps and logits. We evaluated DML‐OFA on four public datasets: Covid‐chestxray‐dataset, ChestXRay2017, Coronavirus‐dataset and COVIDx. The results showed that our model attains 97.10 Accuracy, 97.28 Specificity, 96.21 Recall, 97.45 Precision, and 96.82 F1‐score, which outperforms other previous related works.
Polymer network comprised of steroidal rotors as promising storage material
Authors: Wysocka Joanna , Malinowska Marta , Pawlak Tomasz , Zgardzińska Bożena , Markiewicz Karolina H. , Misiak Paweł , Wilczewska Agnieszka Z. , Potrzebowski Marek , Santillan Rosa , Flórez‐López Edwin , Farfán Norberto , Jastrzebska Izabella 
Published: January 2024

AbstractIn this paper, we report a new generation of polymeric networks as potential functional material based on changes in molecular dynamics in the solid state. The material is obtained by free radical polymerization of a diacrylate derivative bearing a steroid (stator) and a 1,4‐diethynyl‐phenylene‐d4 fragment (rotator). Polymer research using the PALS technique complements the knowledge about nanostructural changes occurring in the system in the temperature range −115 °C – +190 °C. It indicates the presence of two types of free nanovolumes in the system and the occurrence of phase transitions. The polymer is characterized using 1H NMR, 2H Solid Echo NMR, ATR‐FTIR and Raman spectroscopies, thermal analysis, and porosimetry. It is proved that the applied procedure leads to the formation of a novel porous organic material containing multiple molecular rotors.
FGF12 restrains mitochondria‐dependent ferroptosis in doxorubicin‐induced cardiomyocytes through the activation of FGFR1/AMPK/NRF2 signaling
Authors: Tian Ge , Li Jing , Wang Wenjie , Zhou Lina 
Published: January 2024

AbstractFibroblast growth factor‐12 (FGF12) has been reported to play important role in regulating heart diseases. We aimed to explore the role of FGF12 in doxorubicin (DOX)‐induced myocardial injury. DOX‐induced mice and DOX‐induced HL‐1 cells were used as the myocardial injury in vivo and in vitro. Then, FGF12, Anp, Bnp, and Myh7 expression was detected. The pathological injury in myocardium tissue was observed by H&E staining. The levels of markers related to myocardial damage and oxidative stress were assessed. Then, immunohistochemistry and immunofluorescence staining were used to detect FGF12 and 4‐HNE expression. Ferroptosis were detected by Prussian blue staining and western blot. The FGFR1/AMPK/NRF2 signaling was measured by western blot. FGF12 expression was downregulated in DOX‐induced mice myocardium tissues. FGF12 overexpression alleviated DOX‐induced myocardial tissue pathological injury and reduced Anp, Bnp, and Myh7 expression. Additionally, the levels of CK‐MB, LDH and cTnT in serum were decreased after FGF12 upregulation in DOX‐induced mice. Moreover, FGF12 overexpression reduced the levels of ROS, MDA, and 4‐HNE but increased SOD and GSH‐Px activities. Meanwhile, FGF12 led to less deposition of iron ion, decreased ACSL4, PTGS2 and increased GPX4, FTH1 expression. Additionally, FGF12 activated the expressions of FGFR1, p‐AMPK, and NRF2. Moreover, FGFR1 silencing reversed the protective effects of FGF12 overexpression on cell viability, oxidative stress, ferroptosis, and FGFR1/AMPK/NRF2 pathway. To sum up, FGF12 inhibited mitochondria‐dependent ferroptosis in cardiomyocytes induced by DOX through activation of FGFR1/AMPK/NRF2 signaling. These findings clarify a new mechanism of DOX‐induced cardiac injury and provide a promising target to limit the disease development.
Photodynamic therapy with talaporfin sodium for endoscopically unresectable gastric cancer using a novel simultaneous light‐emitting method
Authors: Hayashi Tomoyuki , Hayashi Kotaro , Terashima Takeshi , Nishitani Masaki , Orita Noriaki , Miyazawa Masaki , Seki Akihiro , Nakagawa Hidetoshi , Nio Kouki , Iida Noriho , Yamada Shinya , Takatori Hajime , Shimakami Tetsuro , Yamashita Taro 
Published: January 2024

AbstractWe describe a case of gastric cancer treated by photodynamic therapy (PDT) with talaporfin sodium using a novel simultaneous light‐emitting method. An 82‐year‐old man was diagnosed with gastric cancer near the cardia with suspected deep submucosal invasion. Surgical resection was deemed high‐risk owing to an underlying pulmonary disease. After ruling out endoscopic procedures due to intense fibrosis resulting from the scarring, PDT with talaporfin sodium was chosen. PDT was successfully conducted using an endoscope with simultaneous light emission. The patient experienced a complete response to the treatment and showed no signs of recurrence during follow‐up. This case highlights the potential of PDT with talaporfin sodium as a viable alternative for challenging cases, particularly in patients unsuitable for surgery and endoscopic resection. Furthermore, the novel simultaneous light‐emitting method may improve the efficiency of the procedure. This case demonstrates the potential of PDT in gastric cancer treatment, especially for high‐risk patients.