bluuebunny/crossref_metadata_2025_split huggingface dataset:
Polydopamine‐Mediated Contact‐Electro‐Catalysis for Efficient Partial Oxidation of Methane
Authors: Jia Taikang , Wang Wenjing , Zhang Chuanqi , Zhang Ling , Wang Wenzhong 
Published: October 2024

AbstractThe direct conversion and efficient utilization of methane pose a critical scientific challenge. Indirect activation via reactive oxygen species (ROS) offers a high probability of contact with methane and conversion efficiency under mild conditions. However, reported product yields are suboptimal due to challenges in activating oxygen and facilitating mass transfer in suspension systems. We propose the use of contact‐electro‐catalysis (CEC), employing polydopamine (PDA) as a catalyst that undergoes electron transfer with oxygen under ultrasound, generating ROS that drives the partial oxidation of methane (POM). Corresponding experimental results indicate that CH3OH and most HCHO are produced directly from CH4. Furthermore, through in situ characterizations, we have shown that light pretreatment of the catalysts in an oxygenated atmosphere facilitates the forming of more C=O functional groups with strong electron‐withdrawing properties, thereby significantly enhancing overall product yields, particularly for CH3OH. Within two hours, product yields reach 1.5 mmol gcat−1 for HCHO and 0.9 mmol gcat−1 for CH3OH. This work introduces a novel approach for efficient POM, while highlighting the distinctive catalytic properties of PDA.
Adsorbate Resonance Induces Water‐Metal Bonds in Electrochemical Interfaces
Authors: Nygaard Marcus F. , Nielsen Martin L. S. , Rossmeisl Jan 
Published: October 2024

AbstractThis study delves into the intricate interactions between surface‐near species, OH and H2O, on electrodes in electrochemical interfaces. These species are an inevitable part of many electrocatalytic energy conversion reactions such as the oxygen reduction reaction. In our modeling, we utilize high statistics on a dataset of complex solid solutions with high atomic variability to show the emergence of H2O‐metal covalent bonds under specific conditions. Based on density functional theory (DFT) calculations of adsorption energies on many thousands of different surface compositions, we provide a quantifiable physical understanding of this induced water covalency, which is rooted in simple quantum mechanics. Directional hydrogen bonding between surface‐near H2O and OH, enables surface bonding electrons to delocalize, mediated by near‐symmetrical adsorbate resonance structures. The different adsorbate resonance structures differ by surface coordination explaining the induced H2O‐metal bonding.
Reply to the Correspondence on “Visible Light‐Switchable Chalcone‐Flavylium Photochromic Systems in Aqueous Media”
Authors: Lal Maity Manik , Mahato Samyadeb , Bandyopadhyay Subhajit 
Published: October 2024

AbstractIn a Correspondence on our previous work, “Visible light‐switchable chalcone flavylium photochromic systems in aqueous media” published in this journal in 2023, Pina et al. comment on certain aspects of our work, raising skepticism and questions about the switching of the chalcone‐flavylium systems. We appreciate their comments and acknowledge the remarkable contribution of Pina and co‐workers in this field. In this Reply, additional data, control experiments, clarifications, and discussions are presented to justify our statements.
Single Molecular Dispersion of Crown Ether‐Decorated Cobalt Phthalocyanine on Carbon Nanotubes for Robust CO2 Reduction through Host‐Guest Interactions
Authors: Zhu Lei , Wang Yi‐Xuan , Chen Li‐Juan , Li Jian , Zhou Shuai , Yang Qing‐Qing , Wang Xu‐Zhe , Tung Chen‐Ho , Wu Li‐Zhu 
Published: October 2024

AbstractImmobilizing molecular catalysts on electro‐conductive supports (for example, multi‐walled carbon nanotubes, CNTs) represent a promising way to well‐defined catalyst/support interfaces, which has shown appreciable performance for catalytic transformation. However, their full potential is far from achieved due to insufficient utilization of the intrinsic activity for each immobilized molecular catalyst, especially at loadings that should allow decent current densities. In the present work, we discover host–guest interaction between tetra‐crown ether substituted cobalt phthalocyanine and metal ions, for example K+ ions, not only eliminate catalyst aggregation at immobilization procedures but also reinforce catalyst/support interactions by additional electrostatic attractions under operational conditions. Through simple dip‐coating procedures, a successful single molecular dispersion is achieved. Such a catalyst/electrode interface is stable and can selectively catalyze CO2‐to‐CO conversion with Faradaic efficiency over 96%. Importantly, this interface maintains an almost unchanged turnover frequency (TOF) across all loading conditions, implying a full utilization of the intrinsic activity of supported molecular catalysts. Therefore, a simultaneous achievement of high TOF and high current density (TOF of 111 s−1 at 38 mA cm−2) is achieved, in an aqueous H‐type electrolyzer at an overpotential of 570 mV.
Green Synthesized Biogenic Ag Nanoparticles With Enhanced Antibacterial, Antifungal, Antibiofilm, and Antioxidant Activities: Catalytic Applications in the ipso‐Hydroxylation of Aryl Boronic Acids
Authors: Das Asit Kumar , Ali Md Sattar , Misra Arindam , Islam Sahidul , Kar Binoy , Biswas Smritikana , Ghatak Gaurav , Mal Dasarath , Shit Manik , Dolai Malay , Das Aniruddha 
Published: October 2024

ABSTRACTGreen synthesis of metal nanoparticles using plant sources is one of the most environmentally sound, economically safer, and operationally simple approaches compared with their physiochemical methods. In this work, we have developed the biogenic synthesis of Ag nanoparticles using the aqueous peel extract of Punica granatum L. fruit, which mitigates the requirement for any hazardous reagents or toxic chemicals. The ultraviolet‐visible spectrum confirmed the formation of Ag@PPE NPs with an absorption peak at 420 nm. The X‐ray diffraction analysis confirms that the biosynthesized Ag@PPE NPs are crystalline, with a crystallite size of 9.23 nm. SEM and TEM images revealed the spherical morphology of Ag@PPE NPs, with particle sizes ranging from 2 to 20 nm. The biosynthesized Ag@PPE NPs were explored as antimicrobial agents against both Gram‐positive (CA‐MRSA) and Gram‐negative (Escherichia coli) bacteria as well as Candida albicans (ATCC 14053). The mean zone of inhibition against the CA‐MRSA group was 15.34 ± 2.5 mm, while it was 12.33 ± 1.5 mm against E. coli. In this study, Ag@PPE NPs demonstrated strong antibiofilm activity and antioxidant activity. Moreover, the catalytic applicability of the synthesized Ag@PPE NPs has been investigated for the oxidative hydroxylation of differently substituted aryl boronic acids into phenols at room temperature. The reaction proceeded efficiently in a short reaction time, and the desired products were obtained with high to excellent yields (82%–94%). Notably, the nanocatalyst can be recovered in five consecutive runs without decreasing its catalytic performance. The plausible mechanism of this ipso‐hydroxylation reaction is well presented.
Coefficient‐based conditions of matrix‐valued real‐rational proper negative imaginary functions
Authors: Zhang Qian , Liu Liu , Lu Yufeng 
Published: October 2024

AbstractThis paper mainly gives sufficient coefficient‐based conditions of matrix‐valued real‐rational proper negative imaginary (NI) functions. The proper NI functions can be divided into three cases by relative order, namely, NI functions with relative order 0, 1, and 2. Based on the relationship between NI functions with poles at 0 and without poles at 0, as well as coefficient‐based conditions of positive real functions, sufficient coefficient‐based conditions are shown of NI functions with relative order 1 and 2. These main results are related to the numerical radius and Crawford number of matrices. Moreover, they are supplements to some existing results. NI functions with relative order 0 can be changed into the case of relative order 1, and the sufficient coefficient‐based conditions are also obtained of NI functions with relative order 0. In addition, the coefficient‐based conditions can be used to construct interval NI functions, and some examples are given to illustrate the main results.
Investigate the metabolic changes in intestinal diseases by employing a 1H‐NMR‐based metabolomics approach on Caco‐2 cells treated with cedrol
Authors: Xu Mo‐Rong , Lin Chia‐Hsin , Wang Chung Hsuan , Wang Sheng‐Yang 
Published: October 2024

AbstractMitochondrial dysfunction may precipitate intestinal dysfunction, while inflammatory bowel disease manifests as a chronic inflammatory ailment affecting the gastrointestinal tract. This condition disrupts the barrier function of the intestinal epithelium and alters metabolic products. Increasing mitochondrial adenosine triphosphate (ATP) synthesis in intestinal epithelial cells presents a promising avenue for colitis treatments. Nevertheless, the impact of cedrol on ATP and the intestinal barrier remains unexplored. Hence, this study is dedicated to examining the cedrol's protective effect on an inflammatory cocktail (IC)–induced intestinal epithelial barrier dysfunction in Caco‐2 cells. The finding reveals that cedrol enhances ATP content and the transepithelial electrical resistance value in the intestinal epithelial barrier. Moreover, cedrol mitigates the IC‐induced decrease in the messenger ribonucleic acid (mRNA) expression of tight junction proteins (ZO‐1, Occludin, and Claudin‐1), thereby ameliorating intestinal epithelial barrier dysfunction. Furthermore, nuclear magnetic resonance (NMR)–based metabolomic analysis indicated that IC‐exposed Caco‐2 cells are restored by cedrol treatments. Notably, cedrol elevates metabolites such as amino acids, thereby enhancing the intestinal barrier. In conclusion, cedrol alleviates IC‐induced intestinal epithelial barrier dysfunction by promoting ATP‐dependent proliferation of Caco‐2 cells and bolstering amino acid levels to sustain tight junction messenger ribonucleic acid expression.
An Updated Review Summarizing the Anticancer Potential of Poly(Lactic‐co‐Glycolic Acid) (PLGA) Based Curcumin, Epigallocatechin Gallate, and Resveratrol Nanocarriers
Authors: Pandey Pratibha , Verma Meenakshi , Lakhanpal Sorabh , Pandey Shivam , Kumar M. Ravi , Bhat Mahakshit , Sharma Shilpa , Alam Mir Waqas , Khan Fahad 
Published: October 2024

ABSTRACTThe utilization of nanoformulations derived from natural products for the treatment of many human diseases, including cancer, is a rapidly developing field. Conventional therapies used for cancer treatment have limited efficacy and a greater number of adverse effects. Hence, it is imperative to develop innovative anticancer drugs with superior effectiveness. Among the diverse array of natural anticancer compounds, resveratrol, curcumin, and epigallocatechin gallate (EGCG) have gained considerable attention in recent years. Despite their strong anticancer properties, medicinally significant phytochemicals such as resveratrol, curcumin, and EGCG have certain disadvantages, such as limited solubility in water, stability, and bioavailability problems. Encapsulating these phytochemicals in poly(lactic‐co‐glycolic acid) (PLGA), a polymer that is nontoxic, biodegradable, and biocompatible, is an effective method for delivering medication to the tumor location. In addition, PLGA nanoparticles can be modified with targeting molecules to specifically target cancer cells, thereby improving the effectiveness of phytochemicals in fighting tumors. Combining plant‐based medicine (phytotherapy) with nanotechnology in a clinical environment has the potential to enhance the effectiveness of drugs and improve the overall health outcomes of patients. Therefore, it is crucial to have a comprehensive understanding of the different aspects and recent advancements in using PLGA‐based nanocarriers for delivering anticancer phytochemicals. This review addresses the most recent advancements in PLGA‐based delivery systems for resveratrol, EGCG, and curcumin, emphasizing the possibility of resolving issues related to the therapeutic efficacy and bioavailability of these compounds.
Rehabilitation Response in Tremor‐ and Non‐Tremor‐Dominant Parkinson Disease: A Task‐fMRI Study
Authors: Chen Keke , Wang Songjian , Wen Qiping , Jin Zhaohui , Wang Yixuan , Meng Detao , Yu Xin , Wang Mengyue , Lin Meng , Li Youwei , Li Chunlin , Fang Boyan 
Published: October 2024

ABSTRACTBackgroundTremor‐dominant (TD) and nontremor‐dominant (NTD) Parkinson's disease (PD) showed different responses to rehabilitation. However, the neural mechanism behind this remains unclear.MethodsThis cohort study explores changes in motor function, brain activation, and functional connectivity following 2 weeks of rehabilitation in TD‐PD and NTD‐PD patients, respectively. A total of 11 TD‐PD patients, 24 NTD‐PD patients, and 21 age‐matched healthy controls (HCs) were included. At baseline, all participants underwent functional magnetic resonance imaging (fMRI) while performing the foot tapping task. Motor symptoms, gait, balance, and task‐based fMRI were then evaluated in patients before and after rehabilitation.ResultsCompared to HCs, TD‐PD patients showed increased activity in the left inferior frontal gyrus and the right insula, and NTD‐PD patients showed increased activations in the left postcentral gyrus and decreased within‐cerebellar connectivity at baseline. Rehabilitation improved motor function in PD patients regardless of motor subtype. TD‐PD patients showed increased recruitments of the sensorimotor cortex and the bilateral thalamus after rehabilitation, and NTD‐PD patients showed increased cerebellar activation and within‐cerebellar connectivity that was associated with better motor performance.ConclusionsThis study demonstrated that rehabilitation‐induced brain functional reorganization varied by motor subtypes in PD, which may have important implications for making individualized rehabilitation programs.Trial RegistrationClinicalTrials.gov identifier: ChiCTR1900020771
Urine Albumin‐to‐Creatinine Ratio as an Indicator of Brain Activity Changes in Chronic Kidney Disease: A Resting‐State fMRI Study
Authors: Yu Yangjie , Zhang Jun‐Peng , Wang Zhen , Li Juan , Hua Xu‐Yun , Pan Junjie , Dong Rui 
Published: October 2024

ABSTRACTObjectiveChronic kidney disease (CKD) is increasingly recognized as a risk factor for alterations in brain function. However, detecting early‐stage symptoms and structural changes remains challenging, potentially leading to delayed treatment. In our study, we aimed to investigate spontaneous brain activity changes in CKD patients using resting‐state functional magnetic resonance imaging (fMRI). Additionally, we explored the correlation between common biomarkers reflecting CKD severity and brain activity.MethodsWe recruited a cohort of 22 non–dialysis‐dependent CKD patients and 22 controls for resting‐state fMRI scans. Amplitude of low‐frequency fluctuations (ALFFs) and regional homogeneity (ReHo) were calculated to evaluate brain activity. Regression analysis was conducted to explore the correlations between biomarkers reflecting the severity of CKD and brain activity.ResultsCKD patients exhibited reduced z‐scored ALFF (zALFF) and mean ALFF (mALFF) in the bilateral putamen, right caudate nucleus, left anterior cingulate, and right precuneus. Changes in bilateral putamen were also found in smCohe‐ReHo and szCohe‐ReHo analyses. Urine albumin‐to‐creatinine ratio (UACR), urine protein‐to‐creatinine ratio (UPCR), and serum albumin levels were associated with attenuated putamen activity.ConclusionNon–dialysis‐dependent CKD patients had changes in zALFF, mALFF, smCohe‐ReHo, and szCohe‐ReHo values in specific brain regions, especially bilateral putamen. UACR, UPCR, and serum albumin levels are associated with putamen activity attenuation in rs‐fMRI.
Design and Evaluation of Peptide Inhibitors Targeting the Dimerization of SARS‐CoV‐2 Main Protease
Authors: Yang Yi , Zhao Zhiyi , Li Xiaoying , Chen Yian , Liu Lu , Zhang Shao‐Lin , Yang Aimin 
Published: October 2024

AbstractThe severe acute respiratory syndrome virus 2 (SARS‐CoV‐2) seriously impacted public health. The evolutionarily conserved viral chymotrypsin‐like main protease (Mpro) is an important target for anti‐SARS‐CoV‐2 drug development. Previous studies have shown that the eight N‐terminal amino acids (N8) of SARS‐CoV Mpro are essential for its dimerization, and are used to design inhibitors against SARS‐CoV Mpro dimerization. Here, we established a simple readout assay using SDS‐PAGE and Coomassie blue staining to measure inhibitory activity of N8 peptide derived from SARS‐CoV‐2 Mpro. To optimize its inhibitory effect, we then modified the side‐chain length, charge, and hydrophilicity of the N8 peptide, and introduced a mutated Mpro recognition sequence. As a result, we obtained a series of potent peptide inhibitors against SARS‐CoV‐2 Mpro, with N8‐A24 being the most efficient with an IC50 value of 1.44 mM. We observed that N8‐A24 reduced Mpro dimerization with an IC50 value of 0.86 mM. Molecular docking revealed that N8‐A24 formed hydrogen bond interactions with critical dimeric interface residues, thus inhibiting its dimerization and activity. In conclusion, our study not only discovers a series of peptide inhibitors targeting the SARS‐CoV‐2 Mpro dimerization, but also provides a promising strategy for the rational design of new inhibitors against COVID‐19.
Zirconia single retainer fixed dental prostheses for the posterior region—A novel preparation technique and literature review
Authors: Andrei Adam Dragoș , Constantin Cândea Adrian , Tabitha Avram Liane , Anca Jivănescu 
Published: October 2024

Key Clinical MessageThe principles of tissue preservation, minimally invasiveness and approaching different clinical situations biologically rather than surgically govern today's dentistry. Thus, different clinical scenarios require procedures that offer the dentist and the patient the possibility to choose the more invasive treatment options later in life. Subsequently, the case reported refers to a minimally invasive technique that treats single tooth edentulism using single partial retainer FDPs fabricated from monolithic zirconia. This approach is conservative, biocompatible, aesthetic, strong, rapidly obtained through CAD/CAM techniques and cost‐effective.
Closure of a secondary tracheoesophageal fistula in severe pneumonia using an Amplatzer Duct Occluder II during invasive mechanical ventilation: A case report
Authors: Fu Meng , Wang Dongsheng , Wang Jialiang , Xu Qixia , Cao Lejie , Zhang Junqiang 
Published: October 2024

Key Clinical MessageEarly and timely closure of secondary tracheoesophageal fistula (TEF) is crucial for critically ill patients. For those requiring invasive mechanical ventilation, the Amplatzer Duct Occluder II (ADO II) can be used as an emergency therapeutic option to rapidly close secondary TEF, providing opportunities for subsequent treatments.AbstractSecondary tracheoesophageal fistula (TEF) is a life‐threatening condition characterized by high mortality, high recurrence rates, and multiple complications. Reports on the management of secondary TEF in critically ill patients are limited due to the challenges in treatment and the lack of suitable therapeutic options. We report a case of secondary TEF in a 69‐year‐old male diagnosed with severe pneumonia, whose condition deteriorated rapidly following the onset of TEF. Despite invasive mechanical ventilation, maintaining blood oxygen saturation above 80% was unachievable due to the TEF. Bedside bronchoscopy revealed expansion TEF expansion caused by gastrointestinal fluid reflux and respiratory machine pressure. The TEF was urgently closed using an ADO II device during invasive mechanical ventilation to prevent further deterioration. After the patient's condition stabilized, the ADO II was replaced with a Y‐shaped tracheal membrane‐covered stent for further TEF management. The patient's condition improved, meeting the criteria for liberation from invasive mechanical ventilation, and bedside chest X‐rays revealed a gradual resolution of pulmonary inflammation. Selecting appropriate treatment modalities for early and timely closure of secondary TEF is crucial for critically ill patients. ADO II can serve as a rescue therapy to achieve rapid closure of secondary TEF in critically ill patients requiring invasive mechanical ventilation support, providing opportunities and time for subsequent treatment.
From Bodenstein to Péclet – Dimensionless Numbers for Axial Dispersion in Chemical Reactors
Authors: Bremer Jens , Turek Thomas 
Published: October 2024

AbstractIn the present contribution, the historical development of dimensionless numbers describing axial mixing effects in chemical reactors is analyzed. While the Bodenstein number has become established in Europe, the American literature often uses the Péclet number for this purpose. A journey through the historical reaction engineering literature shows that the development was complex and that Langmuir's decisive role in particular has hardly been acknowledged to date. Unfortunately, despite decades of using dimensionless numbers for mass and heat transport in chemical reactors, no consensus has yet been reached on a uniformly accepted nomenclature. To remedy this shortcoming, a proposal for consistently defined numbers at the molecular and the reactor level is made.
The High‐Sensitivity HEART Pathway Safely Reduces Hospitalizations Regardless of Sex or Race in a Multisite Prospective US Cohort
Authors: Veasey Campbell J. , Snavely Anna C. , Kearns Zechariah L. , Ashburn Nicklaus P. , Hashemian Tara , Mahler Simon A. 
Published: October 2024

ABSTRACTBackgroundThe high‐sensitivity HEART pathway (hs‐HP) risk stratifies emergency department (ED) patients with chest pain. It is unknown if its safety and effectiveness vary by sex or race.MethodsWe conducted a subgroup analysis of the hs‐HP implementation study, a pre−post interrupted time series at five US EDs. The pre‐implementation period (January 2019 to April 2020) utilized the traditional HEART pathway with contemporary troponin (Siemens) and the post‐implementation period (November 2020 to February 2022) used the hs‐HP using hs‐cTnI (Beckman Coulter). Patients were risk‐stratified using the hs‐HP to rule‐out, observation, and rule‐in groups. Safety and effectiveness outcomes were 30‐day all‐cause mortality or myocardial infarction (MI) and 30‐day hospitalization.ResultsTwenty‐six thousand and one hundred twenty‐six patients were accrued (12 317 pre‐ and 13 809 post‐implementation), of which 35.3% were non‐White and 52.7% were female. Among 9703 patients with complete hs‐HP assessments, 48.6% of White and 55.4% of non‐White patients were ruled‐out (p < 0.001). Additionally, 47.3% of males and 54.4% of females were ruled‐out (p < 0.001). Among rule‐out patients, 0.3% of White versus 0.3% of non‐White patients (p = 0.98) and 0.3% of females versus males 0.3% (p = 0.90) experienced 30‐day death or MI. Post‐implementation, 30‐day hospitalization decreased 17.2% among White patients (aOR 0.49, 95% CI: 0.45−0.52), 14.1% among non‐White patients (aOR 0.53, 95% CI: 0.48−0.59), 15.6% among females (aOR 0.50, 95% CI: 0.46−0.54), and 16.6% among males (aOR 0.51, 95% CI: 0.47−0.56). The interactions for 30‐day hospitalization between hs‐HP implementation and race (p = 0.10) and sex (p = 0.69) were not significant.ConclusionsThe hs‐HP safely decreases 30‐day hospitalizations regardless of sex or race. However, it classifies more non‐White patients and women to the rule‐out group.