bluuebunny/crossref_metadata_2025_split huggingface dataset:
Convergent Total Synthesis of Kalmanol
Authors: Zhao Rong , Zhao Xiaolong , Yang Ming 
Published: November 2024

AbstractKalmanol (1) is the first isolated kalmane‐type grayanoid featuring a highly oxidized 5/8/5/5 tetracyclic carbon skeleton and 9 contiguous stereocenters. We have accomplished the efficient and asymmetric total synthesis of 1 in 16 steps from known compounds (20 steps from commercially available starting materials) by a modular synthetic strategy. A tetracyclic intermediate was prepared in a convergent manner through a Grignard reaction and a subsequent ring‐closing metathesis reaction of two enantiomerically enriched fragments. The polyhydroxy groups were introduced by late‐stage stereo‐ and regioselective oxidations.
Preparation of Mesoporous Silica Nanostructure Functionalized With Hydrobenzoin Substituted Phthalocyanine and Its Catalytic Performance in Benzyl Alcohol Oxidation
Authors: Gök Yaşar , Arlı Osman Tayyar , Gök Halil Zeki , Erdem Recep 
Published: November 2024

ABSTRACTIn this study, a new mesoporous silica nanostructure functionalized with hydrobenzoin substituted cobalt (II) phthalocyanine (MCM‐41‐CoPc) was prepared by grafting first 3‐chloropropyltriethoxysilane (CPTES) and then peripherally hydrobenzoin substituted cobalt (II) phthalocyanine (CoPc) onto mesoporous silica nanomaterial (MCM‐41). The structural properties of heterogeneous catalyst MCM‐41‐CoPc were elucidated by FT‐IR, XRD, TEM, EDS, TGA, solid‐state UV–Vis and N2 sorption analyses. The catalytic performance of MCM‐41‐CoPc was investigated in the oxidation of benzyl alcohol to benzaldehyde. To find the best catalytic conditions for aldehyde selectivity, the effect of the different parameters such as temperature, reaction time, oxidant, solvent, amount of the substrate, and oxidant on the catalytic activity of MCM‐41‐CoPc was investigated in detail. The selective oxidation of benzyl alcohol to benzaldehyde in the presence of MCM‐41‐CoPc was achieved with high aldehyde selectivity (98%) and moderate conversion (57%). The reusability of MCM‐41‐CoPc was tested in three consecutive cycle and no catalytic activity loss was observed. Additionally, it has been determined that the product selectivity can be controlled depending on the type of reaction solvent. When ethyl acetate was used as the solvent, 98.5% conversion rate and 96% benzoic acid selectivity were obtained.
Preparation and Characterization of Nanocellulose/Sulfonated Poly(Ether Imide) Composite Membrane and Its Application as Proton Exchange Membrane
Authors: Sriruangrungkamol Arisara , Therdthianwong Apichai , Chonkaew Wunpen 
Published: November 2024

ABSTRACTThe TEMPO‐oxidized cellulose nanofibril (CNF) membrane is combined with sulfonated poly(ether imide) (SPEI) using the solution impregnation method to enhance its proton exchange membrane properties. SPEI solutions with different sulfonation levels, SPEI1, SPEI2, SPEI4, and SPEI5, are prepared by adjusting the acetyl sulfate to PEI mole ratios from 1:1 to 2:1, 3:1, 4:1, and 5:1, respectively. The CNF membranes are immersed in each SPEI solution for 24 h and hot‐pressed at 100°C for 1 h to form composite membranes. The chemical structure, morphology, wettability, and membrane characteristics are analyzed. The wettability of SPEI on the CNF surface varies with sulfonation degree, and it affects the morphology of each CNF‐SPEI membrane. Consequently, proton conductivity and ion exchange capacity (IEC) increase, while methanol permeability decreases with increasing sulfonation levels. The CNF‐SPEI5 membrane exhibits the highest proton conductivity of 4.23 mS.cm−1 and the lowest methanol permeability at 6.67 × 10−7 cm2.s−1. Additionally, the CNF‐SPEI4 membrane achieves maximum tensile strength and flexibility at 4.91 ± 0.09 MPa and 15.05% ± 0.24%, respectively. While its proton conductivity still faces challenges, the CNF/SPEI membrane demonstrates better methanol permeability suppression than Nafion 117 (1.31 × 10−6 cm2.s−1) and superior dimensional stability compared with the pristine CNF membrane.
Deciphering the Catalytic Proficiency and Mechanism of the N‐Acetylglucosamine Deacetylase From Pantoea dispersa
Authors: Yang Wentao , Chen Xiao , Pang Li , Tian Hong , Yang Liang , Xia Bo 
Published: November 2024

ABSTRACTGlucosamine (GlcN) is a widely utilized amino monosaccharide. It is traditionally synthesized from N‐acetylglucosamine (GlcNAc) via chemical processes that pose environmental threats. In pursuit of a greener alternative, our investigation explored biocatalysis with a Pantoea dispersa derived deacetylase (Pd‐nagA), showcasing its efficacy as a catalyst in GlcN production. As a result, this work provides a comprehensive characterization of Pd‐nagA, scrutinizes its enzymatic behavior, and delves into the deacetylation mechanism in detail. Heterologous expression methods were utilized for the production and isolation of Pd‐nagA, followed by a kinetic evaluation highlighting its enzymatic activity. The complex interactions between the enzyme and its substrate were investigated by integrating classical molecular dynamics, quantum mechanics/molecular mechanics simulations, funnel metadynamics, and on‐the‐fly probability enhanced sampling techniques, thereby elucidating the precise deacetylation pathway. Rigorous computational analysis results demonstrated that Pd‐nagA exhibited promising specificity and efficiency for GlcNAc with a high turnover rate. The catalytic residues central to the reaction were identified, and the underlying quantum reaction mechanism was detailed. Our findings suggest an approach to GlcN production using eco‐friendly biocatalysis, positioning Pd‐nagA at the forefront of industrial application not only because of its remarkable catalytic capabilities but also due to its potential for enzyme optimization.
Screening for Anti‐Aβ Aggregation Activity of Marine Fungal Natural Products Based on a Gold Nanoparticle Method
Authors: Wang Xingyuan , Zhou Longjian , Liu Yayue , Ban Fangfang , Yang Zhiyou , Zhang Yongping , Hu Xueqiong , Zhang Yi 
Published: November 2024

ABSTRACTScreening Aβ aggregation inhibitors (AAIs) is important for Alzheimer's disease drug discovery. However, common cellular or biochemical methods are not suitable for high‐throughput natural product screening. A gold nanoparticle (GNP) screening method was employed in this study to screen marine fungal crude extracts and pure compounds for quick AAI discovering. The anti‐Aβ aggregation activity was further inspected using transmission electron microscopic (TEM) observation, and the interaction between active molecules and different Aβ species was revealed by molecular docking. The results indicated that the fungal extracts DLS2008001(M), BM3T2(M), DLEN2008005(M), TBG1‐16(P), and TBG1‐13(P) showed activity comparable to the positive control human serum albumin at the concentration of 500 µg/mL; 10 pure compounds also displayed moderate anti‐aggregation activity, particularly nidulin, aspergillusidone G, and butyrolactone I. The inspection of anti‐Aβ aggregation effect through TEM further demonstrated that extracts TBG1‐16(P), DLS2008001(M), and BM3T2(M) dramatically inhibited the formation of Aβ aggregates. Molecular docking displayed low binding energies and key interactions of nidulin, aspergillusidone G, and butyrolactone I, with nine types of Aβ peptides. These findings indicate that the GNP method is efficient in screening AAIs and reveal marine fungal natural products as valuable sources of small molecular AAIs.
Possible Factor Xa Resistance in a Patient Who Failed Apixaban and Rivaroxaban
Authors: Ali Ola , Elnaeem Awab , Kaur Manmeet , Thatikonda Nitisha , Aigbogun Julia , Muktadir A. K. M. 
Published: November 2024

ABSTRACTThis article aims to discuss the literature on switching to an anticoagulant with a different mechanism of action in case of treatment failure. We present a patient with atrial fibrillation who incurred an embolic stroke despite adequate anticoagulation with apixaban and developed a new symptomatic ischemic stroke during the same admission after switching to rivaroxaban, a factor Xa inhibitor with a similar mechanism of action. He had no new events at 3‐months after switching to dabigatran, a direct thrombin inhibitor. We identified no apparent reason for anticoagulation failure in our patient. The literature on switching anticoagulants in case of failure is inconclusive with no strong supportive evidence. More research is needed to define anticoagulation failure and identify cases with factor Xa inhibitor resistance, in which switching to a different mechanism of anticoagulation may be appropriate.
Reliability Assessment of Multiprocessor System Based on Exchanged Crossed Cube Networks
Authors: Liu Xuanli , Fan Weibei , He Jing , Han Zhijie , Chi Chi‐Hung 
Published: November 2024

ABSTRACTWith the increasingly widespread application of multiprocessor systems, some processors in multiprocessor systems are inevitably prone to malfunctions. The reliability and effectiveness of the system are key issues. As a standard for measuring system fault tolerance, connectivity, and edge connectivity have many drawbacks. Therefore, Haray proposed conditional connectivity by restricting the connected components in disconnected subgraphs to satisfy certain properties, where and represent the interconnection network and its set of faulty vertices, respectively. Restricted connectivity is a special type of conditional connectivity. Exchanged crossed cube, as a deformation of hypercube, has more favorable properties, such as smaller diameter, smaller link size, and lower cost. We prove that the 2‐restricted connectivity of the exchanged crossed cubes is for .
Structural Analysis of Deeply Charged Li(Ni0.95Co0.04Al0.01)O2 Cathode for Li‐Ion Battery
Authors: Cheol Lee Byung , Kim Jeon , Kim Hee‐Soo , Park Geon‐Tae , Sun Yang‐Kook , Seung Yoon Chong 
Published: November 2024

AbstractLiNi0.95Co0.04Al0.01O2 (NCA95) is charged up to 4.6 V to study its structural stability at a highly delithiated state using transmission electron microscopy (TEM). The TEM analysis shows that the localized depletion of Li ions near the surface triggers the transition from the H3 phase to the H4 phase with the H4 phase with the O1 stacking appearing as a series of stacking faults even at 4.4 V. The H3→H4 transition appears irreversible and leads to the initial capacity loss. In addition, intraparticle cracks are observed when charged above 4.3 V. These intraparticle microcracks, unlike interparticle cracks that become sealed upon Li‐uptake, likely remain during deintercalation, compromising the mechanical stability of the cathode and lead to fast deterioration of the cycling stability. The TEM analysis of the overcharged NCA95 cathode suggests a clear limit above which the cathode can be cycled without significant capacity loss. Introducing doping elements that promote the migration of Ni2+ ions into the Li layer would hinder the H3→H4 transition and help suppress the intraparticle cracks.
CircHipk3 serves a dual role in macrophage pyroptosis by promoting NLRP3 transcription and inhibition of autophagy to induce abdominal aortic aneurysm formation
Authors: Cai Donghua , Li Chuling , Zhang Yingyuan , He Sisi , Guo Yihai , Liao Wangjun , Liao Yulin , Bin Jianping , He Xiang 
Published: November 2024

AbstractAimsCircRNAs could regulate macrophage pyroptosis, which has the potential in promoting the synergistic effect of inflammation and matrix metalloproteinase (MMP) activity in abdominal aortic aneurysm (AAA). But the roles of circRNAs in modulating macrophage pyroptosis in the AAA remain unknown. This study explored the contribution to AAA of circHipk3, which was macrophage pyroptosis promoter, and the underlying mechanism.Methods and ResultsCircHipk3 was markedly upregulated in aortic aneurysms compared with that in normal arteries. In mice treated with circHipk3 contributed to macrophage pyroptosis, subsequently promoting the synergistic effect of inflammation and MMP synthesis, and significantly accelerated angiotensin (Ang) II‐ and porcine pancreatic elastase (PPE)‐induced AAA formation. Mechanically, chromatin isolation by RNA purification (ChIRP) indicated that circHipk3 facilitated macrophage pyroptosis by interaction with Stat3, increase the NLRP3 level in the aorta, and by binding Snd1 to promote Ptbp1 mRNA degradation to inhibit autophagy. Therefore, our study revealed the important role of circHipk3 in macrophage pyroptosis and thus significantly improved the outcome of AAA.ConclusionsCircHipk3 serves a dual role in augmenting macrophage pyroptosis by interaction with Stat3, increase the NLRP3 level, and by binding Snd1 to promote Ptbp1 mRNA degradation to inhibit autophagy, thereby inducing aneurysm formation and progression.Key points
CircHipk3 is significantly upregulated in abdominal aortic aneurysms (AAA) compared to normal arteries, contributing to macrophage pyroptosis.
CircHipk3 promotes the synergistic effect of inflammation and matrix metalloproteinase (MMP) activity, accelerating Angiotensin II‐ and porcine pancreatic elastase‐induced AAA formation in mice. Mechanistically, CircHipk3 interacts with Stat3 to elevate NLRP3 levels and binds Snd1 to promote Ptbp1 mRNA degradation, inhibiting autophagy.
CircHipk3's dual role in enhancing NLRP3 inflammasome activation and inhibiting autophagy makes it a critical regulator in AAA development and rupture.
Targeting CircHipk3 may offer a novel therapeutic strategy to prevent pyroptosis and AAA development, positioning it as a potential treatment target.
The Hunger Games: Stable Isotopes Indicate Winter Inter‐Guild Competition for Resources by Marine Meso‐Predators in the Sub‐Arctic North Pacific
Authors: Troina Genyffer C. , Pakhomov Evgeny A. , Weitkamp Laurie , Somov Aleksey , Hunt Brian P. V. 
Published: November 2024

ABSTRACTInterspecific competition can significantly impact marine ecosystems by affecting species distributions and abundances. Understanding how sympatric species utilize available food helps identify potential competition and its effects when resources are limited. Here, we applied a suite of analytical methods (diet analysis, stable isotopes, and biomass estimates) to identify potential competitive interactions among North Pacific pelagic predators. Samples were collected in the Gulf of Alaska during the winter of 2019. Environmental conditions and food web structure (prey consumption, species biomass, and isotopic niche overlap) varied across the region. Several squid and myctophid species occupied similar trophic positions and had high isotopic nice overlap with Pacific salmon. The intensity of these interactions differed between the northwest and southeast Gulf of Alaska. For example, there was a substantial isotopic niche overlap between sockeye salmon and the squid Onychyoteuthis borealijaponica in the southeast, while chum salmon exhibited considerable niche overlap with various species in both areas. Our results demonstrate that, as the biomass of non‐salmonid competitors may exceed that of Pacific salmon, these interactions must be considered when assessing salmon production on the high seas. Regional differences in trophic interactions demonstrate that the open ocean northeast Pacific is more dynamic than previously proposed, and knowledge of salmon rearing locations could improve production estimates. Further research on regional ocean properties and their effects on trophic ecology is needed to understand how salmon will respond to climate‐driven changes in ocean conditions. This study provides the first analysis of pelagic food webs in the North Pacific high seas during winter, highlighting significant intra‐guild competition among meso‐predators. The effects of this competition on production are difficult to assess using empirical approaches due to the inaccessibility of the region. We propose the application of the trophic interactions identified here to explore these effects using food web models.
Relevance of residual tricuspid regurgitation for right ventricular reverse remodelling after tricuspid valve intervention in patients with severe tricuspid regurgitation and right‐sided heart failure
Authors: Weckbach Ludwig T. , Stolz Lukas , Doldi Philipp M. , Glaser Hannah , Ennin Cecilia , Kothieringer Michael , Stocker Thomas J. , Näbauer Michael , Kassar Mohammad , Bombace Sara , Kresoja Karl‐Patrik , Lurz Philipp , Praz Fabien , Thiele Holger , Rudolph Volker , Massberg Steffen , Hausleiter Jörg 
Published: November 2024

AbstractAimsRight ventricular reverse remodelling (RVRR) is linked to improved survival in patients with severe tricuspid regurgitation (TR) and right‐sided heart failure who underwent interventional treatment. However, the role of residual TR on RVRR remains unclear. In this analysis the impact of residual TR on RVRR after interventional TR treatment, which was validated by two independent cohorts at four sites using echocardiography or cardiac magnetic resonance (CMR) imaging, was investigated.Methods and resultsOverall, 253 patients who were treated for severe TR and right‐sided heart failure using different treatment modalities (tricuspid transcatheter edge‐to‐edge repair [T‐TEER], transcatheter tricuspid valve annuloplasty, orthotopic transcatheter TV replacement [TTVR], heterotopic TTVR) were included. Three‐dimensional echocardiographic and CMR‐based assessment of RVRR and clinical evaluation of decongestion or exercise capacity were performed at baseline and 30 days after the procedure. Mortality was analysed at 1 year after transcatheter tricuspid valve intervention (TTVI). In patients with residual TR ≤1+ pronounced reduction of right ventricular end‐diastolic and end‐systolic volumes was observed. In patients with residual TR ≥2+ the effect of RVRR gradually decreased with higher residual TR reinforcing the relevance of optimal procedural results for RVRR. These findings were validated in two independent cohorts. In contrast to RVRR, residual TR ≤1+ and 2+ were associated with similar 1‐year survival. RVRR was only observed after T‐TEER or orthotopic TTVR, but not after heterotopic TTVR as expected. However, all three treatment modalities were accompanied by significant decongestion and functional improvement at 30‐day follow‐up.ConclusionIn patients with severe TR and right‐sided heart failure undergoing TTVI, superior procedural results were associated with more pronounced RVRR.
Structural Diversity in Homoleptic Lithium Amidomanganate(II) Complexes: Impact of Amine Substitution
Authors: Jones Rebecca S. , Mahon Mary F. , Uzelac Marina 
Published: November 2024

AbstractExpanding the library of structurally characterized lithium amidomanganates(II), here we report a general synthetic approach to access a new series of homoleptic complexes. In situ salt‐metathesis of commercially available reagents afforded tetrabutyl lithium manganate [(TMEDA)2Li2Mn(nBu)4] (1) (TMEDA=N,N,N’,N’‐tetramethylethylendiamine) which could be used as a precursor for direct deprotonation of a selection of amines affording a family of homoleptic lithium amidomanganates. Complexes [{Li(THF)4}+{Mn(NPh2)3(THF)}‐] (2), [(THF)LiMn(NCy2)3] (3) (Cy=cyclohexyl), [(HNCy2)LiMn(NCy2)3] (4), [(THF)4Li2Mn(NHMes)4] (5) (Mes=2,4,6‐trimethylphenyl), and [(TMEDA)2Li2Mn(NHMes)4] (6) have been isolated and structurally characterized as main products. While it is evident that 1 possesses adequate basicity to effect deprotonation of both primary and secondary amines, the exact stoichiometry, constitution, and structural motif of newly generated lithium amidomanganates are governed by the steric and electronic variations of the amide ligands.
In Situ Organic Transformation Reactions Involved in Synthesis Process of Polyoxometalate‐Based Hybrids
Authors: He Jing‐Yan , Wang Jie‐Fei , Du Jing , Ma Yuan‐Yuan , Han Zhan‐Gang 
Published: November 2024

AbstractThe unique acidity, redox properties, and catalytic characteristics of polyoxometalates(POMs) provide an environment for the in situ transformation of organic molecules. The hydrothermal in situ ligand transformation has shown fascinating appeal in the synthesis of new POM‐based metal‐organic hybrid compounds due to its effectiveness, simplicity, and environmental friendliness. Currently, there has been an increasing number of reports on POM‐based metal‐organic hybrid compounds based on in situ transformation, and the study of the transformation mechanisms of organic components is of great significance for designing new POM‐based hybrid materials. Here, this review summarizes six types of in situ transformation reactions of organic molecules (pyrolysis, hydrolysis, oxidation, condensation, substitution, and cyclization), covering approximately forty kinds of organic molecules. The regulatory mechanisms during the in situ transformation process of organic molecules are discussed, and the impact of in situ transformed organic molecules on the structure of organic‐inorganic hybrid materials based on POMs is analyzed. The article also delves into the structure‐activity relationship between the in situ transformation of organic molecules and the properties of POM‐based composite materials. Finally, the article summarizes the existing problems in this field and provides an outlook on future development directions, aiming to showcase the broad application prospects in catalysis, materials science, energy, and medicinal chemistry.
ILAE neonatal seizure framework to aide in determining etiology
Authors: Yozawitz Elissa G. , Cilio Maria Roberta , Mizrahi Eli M. , Moon Jee‐Young , Moshé Solomon L. , Nunes Magda L. , Plouin Perrine , Zuberi Sameer , Pressler Ronit M. 
Published: November 2024

AbstractObjectiveTo employ the neonatal seizure framework developed by the International League Against Epilepsy (ILAE) Neonatal Task force to assess its usefulness in determining the etiology of neonatal seizures.MethodsThe members of the ILAE Neonatal Task Force evaluated 157 seizures from 146 neonates to determine internal validity and associations between semiology and a specific etiology.ResultsProvoked neonatal electrographic and electroclinical seizures were due to multiple etiologies. For electroclinical seizures, unilateral clonic seizures were typically seen with vascular etiologies, focal tonic seizures and sequential seizures with genetic etiologies, and myoclonic seizures with inborn errors of metabolism. Electrographic seizures were often seen in hypoxic–ischemic encephalopathy or vascular etiologies.SignificanceThese data suggest that the ILAE neonatal seizure classification may be used as a bedside tool to aid and guide workup to determine the etiology of seizures.
Mobile Cloud Computing Paradigm: A Survey of Operational Concerns, Challenges and Open Issues
Authors: Mora Higinio , Pujol Francisco A. , Ramirez‐Gordillo Tamai , Jimeno Antonio 
Published: November 2024

ABSTRACTThe Mobile Cloud Computing paradigm has revolutionized the concepts of mobile computing and the Internet of Things (IoT). This paradigm allows outsourcing the workload of mobile devices, or other connected “things,” to be computed in the Cloud. Currently, outsourcing possibilities have been widely developed making available computing platforms at different network layers. In a consequence of that, a virtual increasing of the performance and a homogenization of the computing capabilities of the devices are produced. The research described in this work presents a review of the state of the art about recent works, the main operational concerns, challenges, and open issues of this paradigm in order to update the border of knowledge on this topic. As a result, a critical analysis is conducted, and new research directions are discussed. The findings provide value‐added to the scientific community and, therefore it could be helpful for other researches in these topics, especially given the rising popularity of IoT platforms.