bluuebunny/crossref_metadata_2025_split huggingface dataset:
Das tödliche Pilzgift Muscarin wird bei Zellverletzung aus einem harmlosen phosphorylierten Vorläufer freigesetzt
Authors: Dörner Sebastian , Trottmann Felix , Jordan Paul M. , Rogge Kai , Bartels Benjamin , Werz Oliver , Hertweck Christian , Hoffmeister Dirk 
Published: October 2024

Abstractl‐(+)‐Muscarin (1)‐produzierende Pilze stellen eine ernste Gefahr für die menschliche Gesundheit dar, da deren Aufnahme zu Kreislaufversagen oder sogar zum Tod führen kann. Jedoch ist deren Inhaltsstoff‐Profil erstaunlich wenig verstanden, ebenso fehlt Wissen zur Freisetzung dieses Giftes und zu potentiell giftigen verwandten Stoffen. Wir identifizierten im Mycel des 1‐produzierenden Rinnigbereiften Trichterlings Clitocybe rivulosa 4’‐Phosphomuscarin (2) als hauptsächlichen Inhaltsstoff. Dessen Struktur wurde durch hochauflösende Massenspektrometrie, Kernresonanzspektroskopie, und durch Vergleich mit einem synthetisierten Standard aufgeklärt. Diese bislang übersehene phosphorylierte Verbindung detektierten wir ebenfalls in den Risspilzen Pseudosperma spectrale und Inocybe nitidiuscula. Studien zur Aktivierung des muscarinischen Acetylcholinrezeptors M3 zeigten nur geringe Affinität von 2 am Wirkort. Außerdem präsentieren wir biologische Beweise, dass Muscaridin (3), ein mit 1 verwandtes und mit diesem zusammen vorkommendes quaternäres Amin den muscarinischen Acetylcholinrezeptor M3 menschlicher embryonaler Nierenzellen nicht aktiviert. Unsere Arbeit gewährt wichtige Einblicke in das Inhaltsstoffprofil und die Pharmakologie einiger der wichtigsten Giftpilze. Da das harmlose 2 durch unspezifische enzymatische Esterspaltung das potentiell tödliche 1 freisetzen kann, sind diese Ergebnisse für die Notfallmedizin sehr relevant, um die wahre Toxizität dieser Pilze einzuschätzen.
Near‐Infrared Room‐Temperature Phosphorescence from Monocyclic Luminophores
Authors: Yan Zi‐Ang , Yin Chenjia , Tian He , Ma Xiang 
Published: October 2024

AbstractCompact luminophores with long emission wavelengths have aroused considerable theoretical and practical interest. Organics with room‐temperature phosphorescence (RTP) are also desirable for their longer lifetimes and larger Stokes shifts than fluorescence. Utilizing the low electronic transition energy intrinsic to thiocarbonyl compounds, electron‐withdrawing groups were attached to the 4H‐pyran‐4‐thione core to further lower the excited state energies. The resulting mini‐phosphors were doped into suitable polymer matrices. These purely organic, amorphous materials emitted near‐infrared (NIR) RTP. Having a molar mass of only 162 g mol−1, one of the phosphors emitted RTP that peaked at 750 nm, with a very large Stokes shift of 15485 cm−1 (403 nm). Thanks to the good processability of the polymer film, light‐emitting diodes (LEDs) with NIR emission were easily fabricated by coating doped polymer on ultraviolet LEDs. This work provides an intriguing strategy to achieve NIR RTP using compact luminophores.
[5]Helicene Based π‐Conjugated Macrocycles with Persistent Figure‐Eight and Möbius Shapes: Efficient Synthesis, Chiral Resolution and Bright Circularly Polarized Luminescence
Authors: Zhou Qifeng , Yuan Wei , Li Yunfei , Han Yi , Bao Lintao , Fan Wei , Jiao Liuying , Zhao Yanli , Ni Yong , Zou Ya , Yang Hai‐Bo , Wu Jishan 
Published: October 2024

Abstractπ‐Conjugated chiral shape‐persistent molecular nanocarbons hold great potential as chiroptical materials, though their synthesis remains a considerable challenge. Here, we present a simple approach using Suzuki coupling of a [5]helicene building block with various aromatic units, enabling the one‐pot synthesis of a series of chiral macrocycles with persistent figure‐eight and Möbius shapes. Single‐crystal structures of 7 compounds were solved, and 22 enantiomers were separated by preparative chiral HPLC. A notable pyrene‐bridged figure‐eight macrocycle, with its rigid, fully π‐conjugated and overcrowded structure, exhibited pure excimer emission and outstanding circularly polarized luminescence (CPL) properties, including a large dissymmetric factor (|glum|=3.8×10−2) and significant CPL brightness (BCPL=710.5 M−1cm−1). This method provides a versatile synthetic platform for producing various chiral D2‐symmetric figure‐eight macrocycles and singly or triply twisted Möbius macrocycles with C2 and D3 symmetry, offering tunable chiroptical properties for CPL applications.
In Situ Synthesis of MoO3 by Surface Oxidation of Mo2C (MXene) for Stable Near‐Surface Reactions in Aqueous Aluminum‐Ion Battery
Authors: Wang Yi , Wu Tanci , Lu Yong , Zhang Wenming , Li Zhanyu 
Published: October 2024

AbstractMolybdenum trioxide (MoO3) is a promising positive electrode material for aqueous aluminum‐ion batteries (AAIBs) due to its high theoretical capacity. However, MoO3 faces several challenges in an aqueous electrolyte, such as easy dissolution of reaction products, volume expansion, and low conductivity, which severely limit its application in aqueous batteries. In this work, we effectively increased the overall conductivity of the electrode by in situ growing MoO3 on the Mo2C MXene layer. MXene can effectively inhibit the dissolution and structural loss of MoO3 reaction products. Additionally, the coordination effect of Mo2C and MoO3 achieves a stable near‐surface reaction on the MXene laminates, resulting in the Mo2C/MoO3 composite exhibiting excellent aluminum storage properties (123.5 mAh/g after 200 cycles at 0.4 A/g). The energy storage mechanism of H+/Al3+ co‐insertion/extraction was elucidated through ex situ characterization, and the promotion effect of Mo2C on MoO3 reaction kinetics was verified by density functional theory (DFT) calculations. This work provides new insights into improving the stability of AAIBs cathodes and extends the application of Mo‐based MXene in aqueous batteries.
The Fatal Mushroom Neurotoxin Muscarine is Released from a Harmless Phosphorylated Precursor upon Cellular Injury
Authors: Dörner Sebastian , Trottmann Felix , Jordan Paul M. , Rogge Kai , Bartels Benjamin , Werz Oliver , Hertweck Christian , Hoffmeister Dirk 
Published: October 2024

Abstractl‐(+)‐Muscarine (1)‐producing mushrooms pose a severe threat to human health as ingestion can result in circulatory collapse or even death. However, their metabolic profile is surprisingly poorly understood, including knowledge of poison release and potentially toxic congeners. In the mycelium of the 1‐producing fool's funnel mushroom Clitocybe rivulosa, we identified 4’‐phosphomuscarine (2) as the major natural product. Its structure was elucidated by high‐resolution mass spectrometry, nuclear magnetic resonance spectroscopy and by comparison with a synthesized reference. We also detected this previously overlooked phosphorylated compound in the fiber cap mushrooms Pseudosperma spectrale and Inocybe nitidiuscula. Studies on the activation of the muscarinic acetylcholine receptor M3 indicate only weak affinity of 2 to this target. Furthermore, we present biological evidence that muscaridine (3), a quaternary amine congener related to and co‐occurring with 1, does not activate the muscarinic acetylcholine receptor M3 on human embryonic kidney cells. Our work provides important insight into the metabolic profile and the pharmacology of some of the most poisonous mushrooms. As the harmless 2 can liberate the potentially fatal 1 by unspecific enzymatic ester cleavage, these results are highly relevant for emergency medicine to estimate the true toxicity of these mushrooms.
Synthesis, Structural Characterization, Optical Properties, and Biological Potency of Co(II), Cu(II), and Cd(II) Complexes With Heterocyclic Thiosemicarbazide Ligand: Insights From Molecular Docking Studies
Authors: El‐Nahass Marwa N. , Gaber Mohamed , Elnadry Yasmen A. , Abu El‐Reash Gaber M. , El‐Gamil Mohammed M. 
Published: October 2024

ABSTRACTA novel heterocyclic thiosemicarbazide ligand, [(Z)‐N‐(2‐oxoindolin‐3‐ylidene)nicotinohydrazide] (H2L), and its Co(II), Cu(II), and Cd(II) metal chelates were synthesized and characterized using a variety of analytical methods, including elemental analysis, FT‐IR, UV–Visible spectroscopy, EI‐mass, fluorescence spectroscopy, X‐ray powder diffraction, and TGA. The structures and geometries of the complexes were determined using these methods as [Co2(H2L)2Cl2(H2O)4]·2H2O, [Cu(H2L)2Cl2(H2O)2]·2H2O, and [Cd(H2L)2Cl2(H2O)2], all having octahedral geometry. The particulate diameters for [Co2(H2L)2Cl2(H2O)4]·2H2O, [Cu(H2L)2Cl2(H2O)2]·2H2O, and [Cd(H2L)2Cl2(H2O)2] were 192.68, 68.48, and 192.74 nm, respectively using Debye–Scherrer equation and FWHM approach. The corresponding FWHM values were 0.0078, 0.0217, and 0.0075, whereas the crystal strain was calculated as (ε) = 0.0018, 0.0056, and 0.0054, and the dislocation density (δ) as 2.69 × 10−5, 2.13 × 10−4, 2.69 × 10−5 Å−2. Quantum chemical calculations for the ligand and its solid metal complexes were carried out utilizing DFT with the DMOL3 module. Furthermore, the optical sensing response of the free ligand H2L to Co(II), Cu(II), and Cd(II) ions was investigated, revealing that the presence of these metal ions enhanced the fluorescence spectra of the ligand. Additionally, the antibacterial effects of these compounds, as well as their cytotoxicity in human cancer cells, were investigated. Compared to its metal complexes, the ligand, H2L exhibits increased antibacterial activity against various bacteria. Tests on HepG‐2 and MCF‐7 cells were conducted to evaluate the compounds' anticancer efficacy against the standard, Doxorubicin. The ligand, H2L, demonstrated greater cytotoxicity against the HepG‐2 cell line than its metal complexes. Docking experiments were conducted to assess the interaction of the ligand and its complexes with HepG‐2 (PDB ID: 2OH4) and MCF‐7 (PDB ID: 3W2S) cells, using the XP glide technique and Schrödinger suite software.
BiOBr/SnO2/ZnO Catalyst With Interfacial Effect Enhanced Photocatalytic Degradation of Organic Dye
Authors: Deng Lihan , Chen Pengfei , Li Jin 
Published: October 2024

ABSTRACTBiOBr nanosheets were loaded onto SnO2 quantum dots, ZnO nanosheets, and SnO2/ZnO‐2 (SZ‐2) to form different heterojunction photocatalysts by sonochemistry, respectively. The photocatalytic activity of the prepared photocatalysts was evaluated by degrading the target dye Rhodamine B (RhB). The results showed that the degradation efficiency of BiOBr/SnO2/ZnO (BSZ) for RhB reached 97.5% at 80 min. The significant increase in catalytic activity of BSZ was attributed to the synergistic and interfacial effects among the three materials. Combined with the radical trapping experiments, it can be concluded that the catalytic mechanism of BSZ as a dual Z‐type heterojunction.
Curing kinetics of block copolymerization thermoset polyurethane by non‐isothermal DSC method
Authors: Li Tianqi , Xu Junjie , An Mengjing , Wang Teng , Ma Yuzhi , Luo Yunjun 
Published: October 2024

AbstractPolyurethanes consist of hard and soft segments, with the hard segments typically comprising blocks containing isocyanate groups, while the soft segments often consist of chains terminated with hydroxyl groups. The hard segments contribute to the mechanical properties of polyurethanes, while the soft segments provide elasticity and flexibility. The essence of curing lies in the mixing of hard and soft segments and subjecting the system to high temperatures. The curing kinetics of PEG/PCL/IPDI/N100 in‐situ block copolymers were investigated using dynamic isothermal differential scanning calorimetry (DSC). Key curing parameters were obtained from non‐isothermal DSC curves, and these parameters were incorporated into an n‐order reaction model to determine the reaction type and apparent activation energy, thus deriving the reaction equation. The curing kinetics of PEG/PCL/IPDI/N100 in‐situ block copolymers follows an n‐th order autocatalytic reaction, where n is 1, and the activation energy is approximately 52.79 kJ/mol. Based on the reaction equation, the curing process conditions, namely the initial curing temperature (Ti), the peak exothermic temperature (Tp), and the finishing temperature (Tf), were deduced. Studying the curing kinetics of thermosetting polyurethanes can deepen our understanding of the interactions and reaction mechanisms between reactants under different conditions, thereby enhancing our grasp of the curing process. Furthermore, research into curing kinetics can provide a basis for optimizing preparation processes.
How Two‐Dimensional Heterocovariance Spectroscopy and Data Fusion Level out the Inadequacies of Compact Spectrometers
Authors: Mahler Lukas , Mayer Christian , Jaeger Martin 
Published: October 2024

ABSTRACTOver the past decade, sensors and compact spectrometers have emerged as a powerful means for real‐time monitoring of chemical and biochemical processes in the field of process analytical technologies (PATs). This is largely attributed to cost‐efficiency and their robustness in near‐line applications. In comparison to more sophisticated laboratory instruments, these devices exhibit limited sensitivity and resolution. In this study, a combination of near‐infrared, low‐field 1H nuclear magnetic resonance and compact Raman spectrometers were employed for the process monitoring of the acid‐catalyzed esterification of isoamyl alcohol and acetic acid to isoamyl acetate. The resulting real‐time data were transformed and visualized for interpretation using two‐dimensional heterocovariance spectroscopy. The data were also subjected to pretreatment, concatenation, and multivariate analysis in accordance with low‐ and mid‐level data fusion. The spectral interpretation derived from heterocovariance spectroscopy provided support for the data pretreatment during data fusion. By applying these computational techniques, the inherent limitations of sensitivity and resolution associated with compact spectroscopic instruments could be overcome, thereby facilitating the interpretation of data and yielding further insights into the process under study. A comparison of the process parameters resulting from the applied methods indicated that consistent data could be obtained. This study demonstrates that heterocovariance spectroscopy and data fusion allow to enhance compact, less expensive analytical instruments for process monitoring and to acquire process knowledge. This, in turn, enables material, financial, and energy resources to be conserved.
Alleviating Voltage Hysteresis by Interconnecting Truncated Octahedral LiNi0.5Mn1.5O4 Cathode Particles Using Exfoliated Graphene
Authors: Nadia Suryadi Putri , Karunawan Jotti , Bityasmawan Abdillah Oktaviardi , Floweri Octia , Puji Santosa Sigit , Wibowo Arie , Iskandar Ferry 
Published: October 2024

AbstractHigh‐voltage spinel LiNi0.5Mn1.5O4 (LNMO) has been highlighted as one of the most promising cathode materials for next‐generation Li‐ion batteries. However, its performance is known to have shortcomings, i. e., voltage hysteresis induced by the increasing impedance of LNMO during electrochemical cycling at high voltage operation. This paper demonstrates an innovative design of LNMO cathode materials to alleviate voltage hysteresis by combining unique characteristics of truncated octahedral LNMO with 2D exfoliated graphene (EG). The exposed (100) plane of truncated LNMO particles is known to have superior Li+ ion conduction. Meanwhile, the (111) plane is known to have excellent resistance to metal dissolution. Moreover, it was revealed that the presence of the EG framework as an interconnection aide could significantly improve the charge transfer process, helping to alleviate the voltage polarization. The sample with optimum LNMO‐EG composition shows a stable electrochemical performance with a capacity retention of 86.56 % after 300 cycles of charge‐discharge measurement at 1 C while exhibiting almost 3 times lower voltage hysteresis (0.233 mV/cycle) compared to the pristine LNMO (0.678 mV/cycle). This result demonstrates that combining the uniqueness of truncated LNMO and 2D EG can be a promising strategy to improve the electrochemical performance of LNMO cathode materials for next‐generation batteries.
Driving sustainable competitive advantage in banking: The role of transformational leadership and digital transformation in organizational agility and corporate resiliency
Authors: Probojakti Wiweko , Utami Hamidah Nayati , Prasetya Arik , Riza Muhammad Faisal 
Published: October 2024

AbstractObjectivesContinuous adaptation and innovation are critical for sustaining a competitive edge in the dynamic and technology‐driven banking sector. This study explores the impacts of transformational leadership and digital transformation on organizational agility and corporate resiliency, and how these factors contribute to sustainable competitive advantage in the banking sector.MethodologyA quantitative approach utilizing a survey method was implemented for the research, which included a sample of 185 units comprising the head office, branch offices, and sub‐branch offices of Regional Banks in Indonesia. Data analysis was conducted using PLS‐SEM with second‐order constructs.FindingsThe results reveal that transformational leadership significantly enhances organizational agility but does not significantly impact corporate resiliency or sustainable competitive advantage. Digital transformation significantly improves both organizational agility and corporate resiliency, yet its effect on sustainable competitive advantage is insignificant. Moreover, organizational agility significantly influences both corporate resiliency and sustainable competitive advantage. Additionally, corporate resiliency makes a significant contribution to sustainable competitive advantage.ConclusionThe study underscores the critical role of transformational leadership and digital transformation in enhancing organizational agility and resiliency. These elements are pivotal in sustaining competitive advantages in the rapidly evolving banking industry.ImplicationsThis research underscores the strategic importance of banks investing in leadership development and digital initiatives to enhance organizational agility and corporate resiliency, which are crucial for maintaining a sustainable competitive advantage.
Enhancing colorectal cancer screening in high‐risk population through fecal immunochemical test surveillance: Results from a surveillance program
Authors: Qin Hai , Zhang Mingqing , Zhang Guanglu , Zhao Lizhong , Zhang Huan , Zhang Weituo , Wang Yijia , Zhang Xipeng , Xie Li , Qian Biyun 
Published: October 2024

AbstractBackgroundCurrent guidelines recommend colonoscopy‐based surveillance to decrease the risk of colorectal cancer (CRC) among these participants with above‐average risk. The fecal immunochemical test (FIT) holds promise as a viable alternative surveillance tool, but the existing evidence regarding the use of settings remains limited. Therefore, our aim is to evaluate the CRC incidence rates in individuals with above‐average CRC risk and the relationship between FIT surveillance and CRC incidence.MethodsThe retrospective cohort study was performed based on the CRC screening program between January 2012 and December 2022, in Tianjin, China. This cohort study included 12,515 participants aged 40–74 years with above‐average risk. The primary outcomes were the incidence rates of CRC and advanced colorectal neoplasia which were expressed as the number of events per 100,000 person‐years. Hazard ratios (HRs) and 95% confidence intervals (CIs) were calculated using Cox proportional hazards models.ResultsWe included 12,515 participants aged 40–74 years, of whom 4980 received subsequent FIT surveillance during the study period. Among these participants, 51 CRC cases occurred in the non‐FIT surveillance group (incidence rate, 233.88 per 100,000 person‐years) and there were 29 cases of CRC in the FIT surveillance group (incidence rate, 184.85 per 100,000 person‐years), resulting in an incidence rate ratio (IRR) of 0.58 (95% CI, 0.37–0.91). Meanwhile, 428 advanced colorectal neoplasia cases were reported in the non‐FIT surveillance group, while 269 cases occurred in the FIT surveillance group, with significantly lower incidence of advanced colorectal neoplasia in the FIT surveillance group (IRR: 0.64; 95% CI, 0.55–0.74). Compared with the non‐FIT surveillance group, the FIT surveillance group had a 54% decreased risk of developing CRC (HR, 0.46; 95% CI, 0.29–0.74) and a 45% decreased risk of developing advanced colorectal neoplasia (HR, 0.55; 95% CI, 0.47–0.64).ConclusionsIn this retrospective cohort study, above‐average risk individuals who received subsequent FIT in the intervals between colonoscopies were associated with a reduction of CRC and advanced colorectal neoplasia incidence, which indicated the value and utility of FIT in the surveillance program.
Unlocking the Potential of Disulfidptosis‐Related LncRNAs in Lung Adenocarcinoma: A Promising Prognostic LncRNA Model for Survival and Immunotherapy Prediction
Authors: Nie Xin , Ge Hong , Wu Kongming , Liu Ru , He Chunyu 
Published: October 2024

ABSTRACTObjectiveDisulfidptosis was stimulated in high SLC7A11 expression cells starving to glucose. We attempted to identify disulfidptosis‐related lncRNAs (DRLs), built a prognostic model to predict survival, and analyzed the tumor microenvironment.MethodsThe TCGA database was utilized to procure the pertinent data. By utilizing both Cox regression and the least absolute shrinkage and selection operator (LASSO) method, a risk model based on DRLs was formulated for prognostic evaluation. The ability of survival prediction was validated by multiple approaches. The biological functions were screened through GO, KEGG, and GSEA. Various methods were employed to evaluate the tumor immune environment, which included ESTIMATE, tumor mutation burden (TMB) score, CIBERSORT algorithm, and tumor immune dysfunction and exclusion (TIDE) score.ResultsNinety‐one DRLs were recognized, and lncRNA AC092718.4, AL365181.2, AL606489.1, EMSLR, and ENTPD3‐AS1 were involved in the risk model. The GEO database was used to verify the influence of these lncRNAs on survival. The following analyses showed that survival could be predicted excellently by the DRLs risk model. The results of enrichment analyses pointed toward the involvement of the cell cycle and IgA production pathways. In the low‐risk patient group, there was a notable surge in stromal, immune, and ESTIMATE scores, while the TMB scores took a tumble. Conversely, the high‐risk patient group displayed a converse trend. Notably, the group of patients with lower risk scores and higher TMB scores showed the most favorable survival outcomes, underscoring the importance of considering both risk score and TMB in predicting the response to immune checkpoint blockade therapy. Furthermore, patients classified as high‐risk might display resistance to both chemotherapy and targeted therapy. Cellular biological experiments proved that lncRNA AC092718.4 promoted invasion, migration, and proliferation abilities in vitro. These results provided valuable insights into the role of DRLs in LUAD and presented a possible effective treatment approach for LUAD.ConclusionsWe developed a disulfidptosis‐related risk model with 5 lncRNAs that enables survival prediciton for LUAD patients and aids cilinical decisions by forecasting the TME, TMB, and drug sensitivity, making it a valuable tool for outcomes prediction.