bluuebunny/crossref_metadata_2025_split huggingface dataset:
Regulating Peripheral Nitrogen Dopants in Single‐Atom Catalysts to Enhance Propane Dehydrogenation
Authors: Wei Fenfei , Cao Liru , Ge Bingqing , Chen Yang , Pan Xiaoli , Chai Yicong , Jing Rizheng , Hu Xixi , Wang Xiaodong , Lin Jian , Lin Sen 
Published: October 2024

AbstractFor single‐atom catalysts (SACs), the dopants situated near the metal site have demonstrated a significant impact on the catalytic properties. However, the effect of dopants situated further away from the metal centers and their working mechanisms remain to be elucidated. Herein, we conduct density functional theory‐driven studies on regulating the peripheral nitrogen dopants in graphene‐based SACs, with a particular focus on Ir1 SAC, for propane dehydrogenation (PDH). It is found that increasing the distance between the N dopant and the Ir1 site results in a different energy change for the reaction process compared to the dense doping models with only first and second‐shell N species. The proposed stochastic doping models demonstrate statistically that increasing the N dopant in farther shells not only enhances the activity of Ir1 but also maintains a high selectivity for propene, which is verified by experimental tests. The modulation of the d‐band center of Ir1 by stochastic N dopants effectively modifies the binding strength of reaction intermediates, thereby enabling the optimization of the potential energy surface of PDH. These results deepen the understanding of dopant states around metal sites and provide an important implication for the doping engineering in heterogeneous catalysis.
Characterization of Iminobismuthanes and Catalytic Reduction of Organic Azides via Bi(I)/Bi(III) Redox Cycling
Authors: Won Moon Hye , Nöthling Nils , Leutzsch Markus , Kuziola Jennifer , Cornella Josep 
Published: October 2024

AbstractWe report the stoichiometric and catalytic reactivity of organobismuth(I) complexes with organic azides. Treatment of N,C,N‐pincer bismuthinidenes with organic azides (acyl, sulfonyl, and bulky aryl) results in monomeric iminobismuthanes which can be structurally characterized —including the formal Bi=N double bond— by multinuclear NMR spectroscopy and single‐crystal X‐ray diffraction. Building upon the stoichiometric reactivity of the monomeric iminobismuthanes, catalytic reduction of a broad range of organic azides is developed. DFT calculations of the catalytic reaction pathway support the redox nature of the overall process.
Customizing Bonding Affinity with Multi‐Intermediates via Interfacial Electron Capture to Boost Hydrogen Evolution in Alkaline Water Electrolysis
Authors: Yang Liu , Liu Huibing , Li Ying , Zhong Lisong , Jin Zhaohui , Xu Xiaopei , Cao Dapeng , Chen Zhongwei 
Published: October 2024

AbstractDeveloping efficient and earth‐abundant alkaline HER electrocatalysts is pivotal for sustainable energy, but co‐regulating its intricate multi‐step process, encompassing water dissociation, OH− desorption, and hydrogen generation, is still a great challenge. Herein, we tackle these obstacles by fabricating a vertically integrated electrode featuring a nanosheet array with prominent dual‐nitride metallic heterostructures characterized by impeccable lattice matching and excellent conductivity, functioning as a multi‐purpose catalyst to fine‐tune the bonding affinity with alkaline HER intermediates. Detailed structural characterization and theoretical calculation elucidate that charge redistribution at the heterointerface reduces the O p‐W d and H s‐W d interactions vs. single nitride, thereby enhancing OH− transfer and H2 release. As anticipated, the resulting WN‐NiN/CFP catalyst demonstrates a gratifying low overpotential of 36.8 mV at 10 mA/cm2 for alkaline HER, while concurrently maintaining operational stability for 1300 h at 100 mA/cm2 for overall water splitting. This work presents an effective approach to meticulously optimize multiple site‐intermediate interactions in alkaline HER, laying the foundation for efficient energy conversion.
Controlled Helical Organization in Supramolecular Polymers of Pseudo‐Macrocyclic Tetrakisporphyrins
Authors: Fujii Naoka , Hisano Naoyuki , Hirao Takehiro , Kihara Shin‐ichi , Tanabe Kouta , Yoshida Masaya , Tate Shin‐ichi , Haino Takeharu 
Published: October 2024

AbstractTetrakisporphyrin monomers with amino acid side chains at each end form intramolecular antiparallel hydrogen‐bonds to adopt chirally twisted pseudo‐macrocyclic structures that result in right‐handed and left‐handed (P)‐ and (M)‐conformations. The pseudo‐macrocyclic tetrakisporphyrin monomers self‐assembled to form supramolecular helical pseudo‐polycatenane polymers via head‐to‐head complementary dimerization of the bisporphyrin cleft units in an isodesmic manner. The formation of one‐handed supramolecular helical pseudo‐polycatenane polymers was confirmed by circular dichroism (CD) spectroscopy. The methyl and iso‐propyl groups at the stereogenic center greatly enhanced the induced circular dichroism in the Soret bands of the supramolecular helical pseudo‐polycatenane polymers. The induced CDs were reduced upon the introduction of large iso‐butyl and tert‐butyl groups. Atomic force microscopy revealed well‐grown and long supramolecular helical pseudo‐polycatenane polymer chains with chain lengths in the range of 361 to 13.6 nm. The right‐handed helical chains were established by the self‐assembly of the right‐handed (P)‐conformation of the pseudo‐macrocyclic monomer.
Unveiling the influence of oxygen on drug release dynamics in semipermeable polymersomes
Authors: Tollemeto Matteo , Welzen Pascal L. W. , Thamdrup Lasse H E. , Li Yudong , Patiño Padial Tania , Boisen Anja , van Hest Jan 
Published: October 2024

AbstractSemipermeable polymersomes, a class of polymeric vesicles that allow molecular passage across their membranes, offer significant potential for controlled drug delivery. These vesicles can be designed for inherent or selective permeability through the choice of suitable copolymers or the incorporation of protein nanopores, respectively. In this study, we explore a novel approach using oxygen‐producing enzymatic reactions within biodegradable poly(ethylene glycol)‐poly(caprolactone‐gradient‐trimethylene carbonate) (PEG‐p(CL‐g‐TMC)) polymersomes to modulate drug release. These polymersomes were found to enhance the release of hydrophobic drugs while retaining hydrophilic drugs. The enzymatic generation of oxygen within the polymersomes increased membrane hydrophobicity, influencing drug release kinetics. The findings highlight the importance of understanding drug release kinetics in designing effective drug delivery systems, as the release rate and mechanism critically impact therapeutic efficacy and patient outcomes.
Neuroprotective Role of AQP4 Knockdown in Astrocytes After Oxygen–Glucose Deprivation
Authors: Xing Xin , Zhang Shuyan 
Published: October 2024

ABSTRACTBackgroundAquaporin‐4 (AQP4), predominantly expressed in astrocytes, has been implicated in the development of brain edema following ischemic events. However, its role in post‐stroke neuroinflammation is not fully understood.MethodsUsing a middle cerebral artery occlusion (MCAO) mouse model, we assessed AQP4's role in post‐stroke inflammation. Brain tissue slices from male C57BL/6 mice were subjected to immunohistochemistry and western blot post‐MCAO. Additionally, primary astrocytes were isolated for quantitative real‐time PCR and immunofluorescence assays to evaluate the expression of inflammatory markers glial fibrillary acidic protein (GFAP) and AQP4. AQP4 modulation was achieved using viral knockdown and overexpression methods. Neuronal damage was assessed using flow cytometry and terminal deoxynucleotidyl transferase dUTP nick end labeling (TUNEL) tests in co‐culture studies.ResultsMCAO mice exhibited a significant upregulation in GFAP. This reactive astrogliosis corresponded with an elevation in inflammatory markers. AQP4 expression responded to this inflammatory trend, peaking at 6 h after OGD and returning to baseline levels at 24 and 48 h. Co‐culture experiments revealed that AQP4(+) astrocytes exacerbated injury in OGD‐treated neurons, as evidenced by increased TUNEL positivity and apoptotic events. Conversely, AQP4(−) astrocytes appeared to have a protective effect. Knockdown of AQP4 resulted in reduced post‐OGD inflammatory response, whereas AQP4 overexpression intensified the injury to neurons post‐OGD. In vivo experiments also confirmed that AQP4 inhibitor TGN‐020 reduced and overexpression of AQP4 increased behavioral abnormalities and brain infarcts.ConclusionOur findings underscore AQP4's pivotal role in modulating post‐stroke neuroinflammation. Targeting AQP4 may present a novel therapeutic avenue for mitigating ischemia‐induced neuronal damage.
Altered Patterns of Maternal Behavior Transitions in Rats Exposed to Limited Bedding and Nesting Material Paradigm
Authors: Pardo Grace E. , Cuevas Lucero B. , Pacheco‐Otalora Luis F. , Oruro Enver M. 
Published: October 2024

ABSTRACTIntroductionMaternal care plays a fundamental role in early life, and the alteration of its patterns can negatively affect the developmental course of the offspring in a myriad of domains in both rats and humans. The limited bedding and nesting (LBN) protocol is an extensively used paradigm in rodents to address the impact of altered maternal behavior patterns on infants' neurodevelopment. Here, we explore the altered patterns of maternal care in rats in LBN conditions by describing sequences of transition between maternal behavior components using network analysis. Using this technique, we capture how often maternal behavior transitions take place during the LBN period and which behaviors play central roles in those transitions over time.Materials and MethodsFemale rats and their pups were placed in standard and LBN housing conditions from Postpartum Days 2 to 9, during which maternal behavior was observed during the light and dark phases. We used inferential statistical analysis to compare the maternal behavior profiles of control and LBN dams, and network analysis was used to capture the altered sequence of maternal behavior transitions during the period of LBN.ResultsCompared to control dams, LBN dams significantly increased their high crouch nursing posture during light/dark phases (p = 0.018), and the number of behavioral transitions increased only during the dark phase (p = 0.0004). Network analysis revealed specific altered patterns of behavioral transitions in LBN dams, characterized by the predominance of switches between active nursing postures during the first five days of the LBN protocol.ConclusionNursing behavior was the most disrupted component of maternal behavior under the LBN protocol, mainly during the dark phase. Network analysis can complement and extend traditional methods to gain a more thorough understanding of maternal care strategies and behavioral patterns in LBN conditions and potential consequences for the offspring.
How the social dimension of ESG influences CEO compensation: Role of CEO and board characteristics
Authors: Rath Chetna , Tripathy Asit , Mangla Sachin Kumar 
Published: October 2024

AbstractThis paper examines whether social disclosures impact CEO compensation considering various CEO and board controls. By categorizing CEO‐specific attributes into CEO duality, CEO academic diversity, and insider CEO, as well as including board size and board independence as board‐specific controls, the study tests their effects on CEO compensation. This research further explores whether board gender diversity moderates the association between social disclosures and CEO compensation. The paper uses a balanced panel dataset of 67 firms extracted from the NSE Nifty 100 ESG index and applies the panel‐corrected standard error (PCSE) model as a baseline methodology. The findings revealed that the environmental, social, and governance (ESG) disclosure score significantly impacted the CEO compensation, whereas social disclosure scores assessed independently failed to create a significant association with the same. Subsequent investigation also showed a significant positive relationship between the number of female directors on the board and CEO compensation. However, female directors on the board could not amplify the firm's social disclosure practices, leading to an insignificant impact on CEO compensation. While board independence, board size, ownership structure, and CEO duality significantly affected the above relationship, insider CEO status could not. Furthermore, robustness checks using the propensity score matching (PSM) and generalized method of moments (GMM) models were also conducted to test the validity of the above results. The findings of the work offer insights to help managers, organizations, and policy planners make decisions concerning women directors, social disclosures, and CEO compensation.
Probabilities of transitions among endogenous regimes in asset returns and Environmental, Social and Governance scores
Authors: Cerqueti Roy , Da Fermo Carmine , Nicolosi Marco 
Published: October 2024

AbstractAssets' returns can be efficiently clustered in regimes, that are suitably defined non‐overlapping intervals creating a partition of the real numbers. This paper explores the relationship between the transition probabilities from one regime to another in assets' returns and the assets' MSCI Environmental, Social and Governance (ESG) scores. We apply the proposed methodology to the relevant empirical instance of the assets in the STOXX® Global 1800 Index. We consider three regimes—low, medium and high, on the basis of the variation range of the considered returns. Regimes are endogenous, in that their identification comes out from an entropy‐based optimization problem over the possible ranges of variation of the returns. We specifically investigate the possible linear relationship between transition probabilities among regimes and the ESG scores for different geographic regions, namely, America, Europe and Asia Pacific. The reference empirical period is the quadrennium 2018–2021. Results suggest that assets that are low ranked in ESG tend to remain in the low state of returns, if they are in the low state, while they tend to switch from higher to lower return states when the initial state is higher. On the other hand, assets that are highly ranked in the ESG dimensions, are likely to switch from a lower to a higher return state, when they are in a lower state or to remain in the same state when they are in a higher state. Results are more evident for America and Asia Pacific regions rather than Europe where regulation on ESG integration is at a more developed stage with respect to the other regions.
Critical factors for the success of Sustainable Development Goal 12 in the digital transformation era: The effect of ISO 14001
Authors: Oliveira Joana Morgado , Gomes Carlos F. 
Published: October 2024

AbstractCompeting in the global market requires organizations to change rapidly, addressing both digital transformation and sustainable development challenges. This study uncovers new relationships and critical factors, enriching current knowledge and guiding future research on how digital transformation enhances sustainable consumption and production (Sustainable Development Goal 12 [SDG12]) success. It identifies key factors that enhance or inhibit these relationships by combining structural model and necessary conditions analysis. The findings reveal that organizations must excel in digital capabilities directly and through excellence practices to achieve SDG12 success. ISO 14001 further strengthens the impact of digital transformation and excellence practices on SDG12. The results empirically demonstrate what European Foundation for Quality Management (EFQM) and American Society for Quality (ASQ) advocate: excellence practices are a tool for sustainable development. This study adds both to the literature and practice on the relationships between digital transformation, excellence models, and sustainable development and how these relationships are influenced by ISO standards.
HLX07 alone or combined with serplulimab, cisplatin and 5‐fluorouracil for advanced esophageal squamous cell carcinoma: A phase 2 study
Authors: Liu Yun , Wang Yanfeng , Zhu Yanrong , Wu Tao , Liu Zhenyang , Zhou Jin , Yuan Yuan , Yang Mudan , Liu Bo , Tan Zhenbo , Zhuang Wu , Chen Jiayan , Li Ning , Wang Ying , Hu Xuhui , Wang Lin , Yu Haoyu , Wang Qingyu , Zhu Jun , Huang Jing 
Published: October 2024

AbstractBackgroundThe combination of anti‐PD‐1 antibody serplulimab and chemotherapy is considered standard first‐line therapy for advanced esophageal squamous cell carcinoma (ESCC), but few later‐line treatments are available. Here we evaluated the therapeutic efficacy of the recombinant, humanized anti‐EGFR antibody HLX07 when used alone or together with serplulimab and chemotherapy against advanced ESCC.MethodsThis open‐label, non‐randomized, two‐cohort, phase 2 trial involved patients 18‐75 years old with histologically or cytologically confirmed locally advanced, unresectable, or metastatic ESCC, and an Eastern Cooperative Oncology Group performance status of 0‐1. Patients who had failed first‐line immuno‐chemotherapy or at least two lines of other systemic therapy received HLX07 monotherapy intravenously at a dose of 1,000 mg once every 2 weeks (Q2W). Patients with no prior systemic therapy received HLX07 (1,000 mg, day 1) and serplulimab (200 mg, day 1) intravenously Q2W for up to 2 years, concurrently with cisplatin (50 mg/m2, day 1) for up to 8 cycles and 5‐fluorouracil (1,200 mg/m2, days 1‐2) for up to 12 cycles intravenously Q2W. The primary endpoints were progression‐free survival (PFS) and objective response rate (ORR).ResultsOverall, 50 patients were enrolled. In the HLX07 monotherapy group, ORR was 15.0% (3/20), and the median PFS was 1.5 months (95% confidence interval [CI], 1.3 to 3.7). The median duration of response was not reached, and the rate of patients showing an objective response lasting at least 6 months was 66.7% (95% CI, 5.4 to 94.5). Two (10.0%, 2/20) patients experienced grade 3‐4 treatment‐related adverse events (TRAEs), including hypomagnesemia, hypocalcemia, and fatigue. No patient experienced grade 5 TRAEs. In the HLX07 combination group, the ORR was 60.0% (18/30), and the median PFS was 7.8 months (95% CI, 3.3 to 9.1). Fourteen (46.7%, 14/30) patients experienced grade 3‐4 TRAEs, and one (3.3%, 1/30) patient died due to serplulimab‐related pneumonitis.ConclusionsHLX07 monotherapy and its combination with serplulimab and chemotherapy showed manageable toxicity and promising antitumor activity in patients with recurrent or metastatic ESCC. Randomized controlled trials are warranted to further establish the safety and efficacy of HLX07 against ESCC.Trial registrationThis trial was registered at Clinicaltrials.gov (NCT05221658).
Analytical Figures of Merit in Univariate, Multivariate, and Multiway Calibration: What Have We Learned? What Do We Still Need to Learn?
Authors: Olivieri Alejandro C. 
Published: October 2024

ABSTRACTAn overview of the status of the research in analytical figures of merit is provided, including all calibration scenarios from univariate to multivariate and multiway analytical protocols. Both linear and nonlinear multivariate models are considered. Starting with the simplest multivariate model, inverse least‐squares regression, the basic concepts of sensitivity, sample leverage, and limit of detection are introduced. The extension to other multivariate models is discussed, as well as to nonlinear models based on radial basis functions, kernel partial least‐squares, and multilayer feed‐forward artificial neural networks. Finally, multiway calibration models are discussed, including multilinear decomposition models such as parallel factor analysis (PARAFAC) and multivariate curve resolution–alternating least‐squares (MCR‐ALS). In the latter case, recent developments concerning the pervasive phenomenon of rotational ambiguity are discussed. Unfinished works and areas where further research efforts are needed to develop closed‐form expressions and to fully understand their meaning are included.
Pacemaker Implantation for Low‐Grade Conduction Abnormalities After Balloon‐Expandable Transcatheter Aortic Valve Implantation
Authors: Wolfes Julian , Alba Fernando de Torres , Kaleschke Gerrit , Vormbrock Julia , Reinke Florian , Ellermann Christian , Baumgartner Helmut , Eckardt Lars , Frommeyer Gerrit 
Published: October 2024

ABSTRACTIntroductionA frequent complication after TAVI are postinterventional conduction abnormalities requiring permanent pacemaker implantation. In this study, we analyzed the characteristics of borderline conduction abnormalities leading to pacemaker implantation and the resulting ventricular pacing amounts.Methods and ResultsAll patients who underwent balloon‐expandable TAVI between 2014 and 2019 in our tertiary center were analyzed in a retrospective manner. One hundred and sixty‐five patients of 1083 TAVI‐patients developed postinterventional conduction abnormalities leading to pacemaker implantation. Of these 19 (11.5%) did not represent a clear indication for cardiac pacing according to current European guidelines. Patient characteristics, underlying conduction abnormalities, and the temporal change of ventricular pacing percentages at 24 h and 6 weeks after pacemaker implantation were analyzed.The dominating borderline conduction abnormalities leading to pacemaker implantation were new‐onset persisting bundle‐branch‐blocks and new first‐degree AV‐blocks with progression of AV‐delay.While pacemaker implantation was safe and without severe complications in all cases, only 6 of 19 patients had high pacing amounts (95%−100%) after 24 h while 11 patients had low to no pacing amounts (0%−5%). After 6 weeks, 8 patients showed decreasing pacing amounts, no patient had an increasing amount of ventricular pacing and all patients had an intrinsic ventricular rhythm > 30/min.ConclusionIn our cohort of 1038 TAVI patients, 19 patients underwent PMI for borderline CAs (11.5% of all PMI). Of these, only 2 patients had high pacing amounts after 6 weeks. The risk of complete persisting heart block in these patients is very low. Furthermore, algorithms to reduce ventricular pacing are highly effective to avoid ventricular pacing whenever reasonable.
Advanced Hydrogels: Enhancing Tissue Bioengineering with RGD Peptides and Carbon Nanomaterials
Authors: Galindo Josué M. , Merino Sonia , Herrero M. Antonia 
Published: October 2024

AbstractThe advancement of tissue engineering (TE) is driven by the development of scaffolds that mimic the mechanical, spatial, and biological environment of the extracellular matrix (ECM), crucial for regulating cell behavior and tissue repair. Hydrogels, 3D networks of polymer chains, are particularly suited for TE due to their high biocompatibility, ability to mimic tissue water content, facilitate cell migration, sustain growth factor release, and offer controllable physical properties. However, hydrogels mimicking the ECM often face challenges related to cell adhesion due to the absence of specific receptors. This issue can be addressed by incorporating ECM components into the polymer matrix, such as the peptide sequence arginine‐glycine‐aspartic acid (RGD), known for its role in cell adhesion. Additionally, carbon nanomaterials (CNMs) offer unique physicochemical properties that can improve scaffold‐cell interactions. Despite the potential benefits, there are limited reports on their combination. RGD‐CNM hydrogels enable a more accurate emulation of the natural cellular environment, enhancing tissue engineering applications. This hybrid approach may promote robust cell adhesion along with exceptional mechanical and electrical properties. This review outlines the potential benefits of these hybrid scaffolds and their synergistic potential, aiming to inspire new research directions in this innovative field.