bluuebunny/crossref_metadata_2025_split huggingface dataset:
P,N‐koordinierende Ylid‐funktionalisierte Phosphane (NYPhos): Eine Ligandenplattform für die selektive Monoarylierung kleiner Nukleophile
Authors: Löffler Julian , Kaiser Nicolas , Knyszek Daniel , Krischer Felix , Jörges Mike , Feichtner Kai‐Stephan , Gessner Viktoria H. 
Published: June 2024

AbstractPalladium‐katalysierte Kupplungsreaktionen von kleinen Nukleophilen sind von großem Interesse, aber aufgrund der schwierigen Selektivitätskontrolle eine synthetische Herausforderung. Wir berichten nun über die Entwicklung einer neuen Plattform an P,N‐Liganden bestehend aus Ylid‐funktionalisierten Phosphanen mit Aminophosphoniumgruppen (NYPhos), um dieses Problem zu lösen. Die Phosphanliganden sind in einer großen strukturellen Breite leicht zugänglich, wodurch ihre elektronischen und sterischen Eigenschaften flexibel variiert werden können. Basierend auf einer Serie von 14 NYPhos‐Liganden konnte die selektive Monoarylierung von Aceton und anderer anspruchsvoller Ketone und Amide mit rekordverdächtigen Aktivitäten auch für Arylchloride bei Raumtemperatur erreicht werden, einschließlich der Funktionalisierung von Wirkstoffmolekülen. Darüber hinaus konnten Ammoniak und andere kleine primäre Amine unter milden Bedingungen gekoppelt werden. Die Isolierung und Strukturanalyse von Palladiumkomplexen innerhalb des katalytischen Zyklus bestätigte den P,N‐Koordinationsmodus der Liganden, der zur Erzielung der beobachteten Selektivitäten erforderlich ist. Zudem erwies sich die Stärke des N‐Donors als leicht einstellbar, was für das gezielte Design maßgeschneiderter P,N‐Liganden für künftige Anwendungen von Vorteil sein sollte.
Sandwiched polymers modified with BaTiO3@polyfluorosiloxane for enhanced energy density
Authors: Zhang Jia‐Yu , Liu Xiu , Luo Fei‐Yan , He Li , Li Yan‐Tong , Li Jia‐Le , Zhou Yuan‐Lin , Sun Nan , Zhang Quan‐Ping 
Published: June 2024

AbstractPolymer dielectrics have gained significant usage in electrical engineering due to their unique merits, such as good flexibility, easy processing, and low cost. However, it is a huge challenge that polymer dielectrics maintain high breakdown strength meanwhile high permittivity for enhanced energy density. Here, sandwiched polymer films are constructed for enhanced energy density. Increased permittivity has been achieved via blending BaTiO3@polyfluorosiloxane with a polymer as the top and bottom layer. Furthermore, the neat polymer as the middle layer is without critically sacrificing breakdown strength. The energy storage density increases from 7.8 J/cm3 of the neat polymer to 10.41 J/cm3 of the sandwich structure at 460 MV/m. This research offers a feasible route for fabricating capacitive films with enhanced energy density.
An empirical examination of data reuser trust in a digital repository
Authors: Yakel Elizabeth , Faniel Ixchel M. , Robert Lionel P. 
Published: June 2024

AbstractMost studies of trusted digital repositories have focused on the internal factors delineated in the Open Archival Information System (OAIS) Reference Model—organizational structure, technical infrastructure, and policies, procedures, and processes. Typically, these factors are used during an audit and certification process to demonstrate a repository can be trusted. The factors influencing a repository's designated community of users to trust it remains largely unexplored. This article proposes and tests a model of trust in a data repository and the influence trust has on users' intention to continue using it. Based on analysis of 245 surveys from quantitative social scientists who published research based on the holdings of one data repository, findings show three factors are positively related to data reuser trust—integrity, identification, and structural assurance. In turn, trust and performance expectancy are positively related to data reusers' intentions to return to the repository for more data. As one of the first studies of its kind, it shows the conceptualization of trusted digital repositories needs to go beyond high‐level definitions and simple application of the OAIS standard. Trust needs to encompass the complex trust relationship between designated communities of users that the repositories are being built to serve.
Assessing midbrain neuromelanin and its relationship to reward learning in anorexia nervosa: Stage 1 of a registered report
Authors: Murray Stuart B. , Diaz‐Fong Joel P. , Mak Vienna W. T. , Feusner Jamie D. 
Published: June 2024

AbstractIntroductionAnorexia nervosa (AN) is a debilitating and potentially chronic eating disorder, characterized by low hedonic drive toward food, which has been linked with perturbations in both reward processing and dopaminergic activity. Neuromelanin‐sensitive magnetic resonance imaging (MRI) is an emerging method to index midbrain neuromelanin—a by‐product of dopaminergic synthesis. The assessment of midbrain neuromelanin, and its association with AN psychopathology and reward‐related processes, may provide critical insights into reward circuit function in AN.MethodsThis study will incorporate neuromelanin‐sensitive MRI into an existing study of appetitive conditioning in those with AN. Specifically, those with acute and underweight AN (N = 30), those with weight‐restored AN (N = 30), and age‐matched healthy controls (N = 30) will undergo clinical assessment of current and previous psychopathology, in addition to structural neuromelanin‐sensitive MRI, diffusion MRI, and functional MRI (fMRI) during appetitive conditioning.ConclusionThis study will be among the first to interrogate midbrain neuromelanin in AN—a disorder characterized by altered dopaminergic activity. Results will help establish whether abnormalities in the midbrain synthesis of dopamine are evident in those with AN and are associated with symptomatic behavior and reduced ability to experience pleasure and reward.
Causal effects of gut microbiota on multiple sclerosis: A two‐sample Mendelian randomization study
Authors: Sun Dongren , Zhang Yangyang , Wang Rui , Du Qin , Shi Ziyan , Chen Hongxi , Wang Xiaofei , Zhou Hongyu 
Published: June 2024

AbstractBackgroundGut microbiota alterations in multiple sclerosis (MS) patients have been reported in observational studies, but whether these associations are causal is unclear.ObjectiveWe performed a Mendelian randomization study (MR) to assess the causal effects of gut microbiota on MS.MethodsIndependent genetic variants associated with 211 gut microbiota phenotypes were selected as instrumental variables from the largest genome‐wide association studies (GWAS) previously published by the MiBioGen study. GWAS data for MS were obtained from the International Multiple Sclerosis Genetics Consortium (IMSGC) for primary analysis and the FinnGen consortium for replication and collaborative analysis. Sensitivity analyses were conducted to evaluate heterogeneity and pleiotropy.ResultsAfter inverse‐variance‐weighted and sensitivity analysis filtering, seven gut microbiota with potential causal effects on MS were identified from the IMSGC. Only five metabolites remained significant associations with MS when combined with the FinnGen consortium, including genus Anaerofilum id.2053 (odds ratio [OR] = 1.141, 95% confidence interval [CI]: 1.021–1.276, p = .021), Ruminococcus2 id.11374 (OR = 1.190, 95% CI: 1.007–1.406, p = .042), Ruminococcaceae UCG003 id.11361 (OR = 0.822, 95% CI: 0.688–0.982, p = .031), Ruminiclostridium5 id.11355 (OR = 0.724, 95% CI: 0.585–0.895, p = .003), Anaerotruncus id.2054 (OR = 0.772, 95% CI: 0.634–0.940, p = .010).ConclusionOur MR analysis reveals a potential causal relationship between gut microbiota and MS, offering promising avenues for advancing mechanistic understanding and clinical investigation of microbiota‐mediated MS.
Low triiodothyronine (T3) levels predict worse outcomes in autoimmune encephalitis—A meta‐analysis of current literature
Authors: Rehan Syeda Tayyaba , ul Hussain Hassan , Ali Eman , Eqbal Farea , Ahmed Jawad , Eljack Mohammed Mahmmoud Fadelallah , Asghar Muhammad Sohaib 
Published: June 2024

AbstractIntroductionAn unusual association between thyroid dysfunction and autoimmune encephalitis (AE) was noticed when patients presented with low free triiodothyronine (fT3) levels and antithyroid antibodies. We conducted a meta‐analysis to investigate whether thyroid dysfunction, that is, lower fT3 levels are associated with worsening clinical manifestations and prognosis in patients with AE.MethodsLiterature search of five electronic databases was performed till April 5, 2023. Inclusion criteria were as follows: Observational studies reporting patients with all subtypes of AE and assessing thyroid dysfunction categorized as low fT3 and non‐low fT3. Primary endpoints included modified Rankin scale (mRS) at admission, abnormal magnetic resonance imaging, length of stay, seizures, and consciousness declination.ResultsComprehensive literature search resulted in 5127 studies. After duplicate removal and full‐text screening, six observational studies were included in this analysis. Patients with low fT3 were 2.95 times more likely to experience consciousness declination (p = .0003), had higher mRS at admission (p < .00001), had 3.14 times increased chances of having a tumor (p = .003), were 3.88 times more likely to experience central hypoventilation, and were 2.36 times more likely to have positivity for antithyroid antibodies (p = .009) as compared to patients with non‐low fT3.ConclusionThe findings of our study suggest that low fT3 levels might be related to a more severe disease state, implying the significance of thyroid hormones in AE pathogenesis. This finding is crucial in not only improving the early diagnosis of severe AE but also in the efficient management of the disease.
Primary clarification of mammalian cell culture fluid using enhanced sedimentation on inclined surfaces inside the single‐use disposable Sudhin BioSettler150
Authors: Glascock Christopher B. , Kompala Dhinakar S. 
Published: June 2024

AbstractThe first downstream processing step in the purification of a biopharmaceutical protein secreted into mammalian cell culture fluid is the primary clarification of the culture fluid. As cell densities in the fed‐batch and increasingly more common perfusion bioreactors have increased over last two decades through intensified upstream bioreactor production processes, the traditional primary clarification unit operations of centrifugation and/or microfiltration become more challenging with issues like frequent desludging, cell disruption due to shear damage and quick fouling of membranes. We have developed a novel compact cell settler device exploiting the enhanced sedimentation on inclined surfaces and demonstrated that this settler device can be adapted easily to remove and contain cells or cell clumps from the clarified supernatant collected via the top effluent of the settler. In this work, we present high product recovery results during primary clarification of mammalian cell culture supernatant using our novel single‐use disposable BioSettler150 while processing about 10 L of cell culture broth within short processing times of about 4 h.
Isolation, Identification, Phytochemical Characterization, and In Vitro Anti‐Inflammatory Property of an Endophytic Trametes Versicolor CL‐1 Isolated from Rosa Roxburghii
Authors: Li Liangqun , Tao Xian , Yan Yanfang , Chen Faju , Liang Qiancheng , Li Haodong , Yang Lishou , Li Jinyu , Deng Tingfei , Pan Xiong , Ge Lijuan , Gao Ming , Yang Juan , Peng Mei , Yang Xiaosheng 
Published: June 2024

AbstractThis study explores the anti‐inflammatory potential of an endophytic fungus, Trametes versicolor CL‐1, isolated from the fruit tissues of Rosa roxburghii. Morphological and molecular analyses confirmed the identity of CL‐1. An ethyl acetate extract (CL−E) from its fermentation broth was subjected to UPLC‐HRMS and GNPS molecular networking. The analysis revealed a diverse array of secondary metabolites, including 11 terpenes, 7 flavonoids, 10 cinnamic acid derivatives, 6 oligopeptides, and 9 fatty acids, as verified by LC–MS/MS. Notably, CL−E exhibited significant in vitro anti‐inflammatory activity in RAW264.7 cells. Furthermore, molecular docking studies predicted favorable binding interactions of key compounds 1 within CL−E with the NLRP3 inflammasome (PDB ID: 6NPY). These findings suggest T. versicolor CL‐1 as a promising source of natural anti‐inflammatory agents and unveil R. roxburghii as a potential reservoir for discovering novel bioactive metabolites.
Synthesis and Biological Evaluation of Benzamide Compounds as Insecticides Agents Against Spodoptera Frugiperda (Lepidoptera: Noctuidae)
Authors: Abd El‐Lateef Hany M. , Khalaf Mai M. , Gouda M. , Abdelhamid Antar A. , Gad Mohamed A. 
Published: June 2024

AbstractDue to its severe damage, Spodoptera frugiperda is receiving attention as one of the biggest dangers to world food security. Although there are numerous insecticides that are widely and successfully used to control S. frugiperda, they do not have an immediate effect. In our work focusing for synthesized twelve novel benzamide derivatives and examined their insecticidal effectiveness against S. frugiperda larvae in their second & fourth larvae instars, with the aim of further improving the insecticidal activity based on combination principles. Several spectroscopic methods, including elemental analysis, NMR & infrared spectroscopy, were employed for confirming the structure of the newly designed products. It has been discovered that most compounds show good of promising efficacy. With an LC50 of 24.8 mg/L for larvae in the second instar & 56.2 mg/L for larvae in the fourth instar, compound 23 was the most active. Among all compounds 11, 22 and 20 exhibited excellent results. Furthermore, a number of biological and histopathological properties of the demonstration compounds of the produced goods under laboratory conditions were also examined. This work further demonstrates the anti‐proliferation of S. frugiperda and offers fresh ideas for the manufacture of benzamide derivatives.
Design, Synthesis, and Invitro Pharmacological Evaluation of Novel Resveratrol Surrogate Molecules against Alzheimer's Disease
Authors: Subramanian Arunkumar , T Tamilanban , Kumarasamy Vinoth , Sekar Mahendran , Subramaniyan Vetriselvan , Wong Ling Shing 
Published: June 2024

AbstractA series of resveratrol surrogate molecules were designed, synthesized and biologically evaluated for inhibition of acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) along with anti‐oxidant activity as potential novel multifunctional agents against Alzheimer's disease (AD). Six novel compounds were synthesized by reacting (E)‐4‐(3,5‐Dimethoxystyryl) aniline with benzaldehyde and some selected derivatives of benzaldehyde in the presence of ethanol and a few drops of glacial acetic acid which followed the general scheme involved in the formation of Schiff bases. The spectral analysis data including FT‐IR, 1H‐NMR, 13C‐NMR, and Mass spectroscopy results were found to be in good agreement with the newly synthesized compounds (Resveratrol Surrogate Molecules 1–6). The synthesized compounds were evaluated for their dual cholinesterase inhibitory activities, cytotoxic effect, and anti‐oxidant potential. The results showed that compound RSM5 showed potent inhibitory activity against AChE and BChE. In, addition the cytotoxicity of the compound RSM5 is less and found to be within the desirable limit indicating the potential safety of RSM5. Also, it possesses substantial anti‐oxidant activity which qualifies RSM5 as an anti‐AD agent. Taken together, these findings demonstrate that the molecule RSM5 had the most multifunctional properties and could be a promising lead molecule for the future development of drugs for Alzheimer's treatments.
Silencing of ZNF610 suppresses cell proliferation and migration in lung adenocarcinoma
Authors: Shi Ye , Cui Weiming , Xi Lei , Liu Feng , Liu Zicheng , Jiang Jie , Liu Zhengcheng , Cao Hui 
Published: June 2024

AbstractZinc finger proteins (ZNFs) play a significant role in the initiation and progression of tumors. Nevertheless, the specific contribution of ZNF610 to lung adenocarcinoma (LUAD) remains poorly understood. This study sought is to elucidate the role of ZNF610 in LUAD. Transcript data of LUAD were obtained from The Cancer Genome Atlas Program (TCGA) database and processed via R program. The expression of ZNF610 was assessed in various cell lines. To compare the proliferative capacity of cells with or without ZNF610 silencing, CCK8, cell colony formation assay, and Celigo label‐free cell counting assay were employed. Furthermore, transwell migration and invasion assays were conducted to evaluate the migratory and invasive abilities of the cells. The expression levels of genes and proteins were assessed using quantitative real‐time polymerase chain reaction (qRT‐PCR) and western blot techniques. In different LUAD cells, the expression level of ZNF610 was found to be significantly higher in LUAD cells compared to MRC‐5 and BASE‐2B cells. Moreover, the silencing of ZNF610 resulted in a decrease in cell proliferation and migration abilities. Additionally, the apoptosis rate of cells increased upon silencing ZNF610. Notably, the proportion of cells in the G0/G1 phase increased, while the proportion of cells in the S phase decreased following ZNF610 silencing. Finally, β‐catenin and snail were identified as downstream targets of ZNF610 in cells. Our findings suggest that silencing ZNF610 could inhibit LUAD cell proliferation and migration, possibly through the downregulation of β‐catenin and snail.
Improving the Ca‐assisted Urea‐Glass Method for the Synthesis of Zirconium Nitride as Potential Electrocatalyst for the Nitrogen Reduction Reaction
Authors: Bragulla Sebastian C. H. , von Seggern Aaron R. , Lorenz Julian , Harms Corinna , Wark Michael , Friedrich K. Andreas 
Published: June 2024

AbstractZirconium mononitride (ZrN), among other nitrides, is of interest as a catalyst in general and especially for the electrochemical nitrogen reduction reaction (NRR). Synthesis of nanoparticulate ZrN is challenging due to the formation of undesired other phases and the need for hazardous precursors or high temperatures. The urea glass method (UGM) was used in this work to synthesise nanoparticulate zirconium nitride. A focused parameter variation of the precursor composition and process conditions lead to an optimised synthesis, greatly improving material purity in regard to minor phase and residual carbon content. The nitride starts to form at a pyrolysis temperature of 900 °C, likely by irreversible decomposition of previously‐formed oxynitride, which forms from amorphous ZrO2 and urea during pyrolysis. An increased pyrolysis temperature improves product purity but slightly lowers nitride purity. Calcium admixture slows the urea decomposition, yielding a more phase‐pure product with less residual carbon at low amounts. A classical carbothermal nitridation (CN) was used in comparison to the UGM to synthesise ZrN. This was successful in synthesising zirconium carbonitride Zr(N, C) without minor phase, but significant carbon remains if added overstoichiometrically. Using less carbon and a longer dwelling time yielded ZrN without significant carbide (ZrC) incorporation or residual carbon, but with some minor ZrO2 phase, proving a promising synthesis route. A limited electrochemical investigation of a synthesised ZrN material was carried out to scope the general material behaviour and to qualitatively derive the potential catalytic activity for the NRR. Higher reductive currents in nitrogen‐saturated electrolyte qualitatively point to NRR activity, but further and more in‐depth examination is required.
Synthesis of a Library of Terpenoid Alkaloid–Like Compounds Containing Medium‐Sized Rings via Reconstruction of the Humulene Skeleton
Authors: Nishimura Takehiro , Shiga Kosuke , Sekiya Mizuki , Sugawara Akihiro , Yonezawa Takayuki , Kikuchi Haruhisa 
Published: June 2024

AbstractThe construction of a chemical library based on natural products is a promising method for the synthesis of natural product‐like compounds. In this study, we synthesized a terpenoid alkaloid‐like compound library based on the humulene skeleton. Our strategy, which enables access to diverse ring systems such as 11‐membered monocyclic, oxabicyclic, and medium‐sized aza ring‐containing scaffolds, involves the introduction of a nitrogen atom, an intermolecular C−O bond formation via Lewis acid‐mediated epoxide‐opening transannulation, and a ring‐reconstruction strategy based on olefin metathesis. A cheminformatics analysis based on their structural and physicochemical properties revealed that the synthesized compounds have high three‐dimensionality and high natural product likeness scores but with structural novelty. The usefulness of the terpenoid alkaloid‐like compound library for drug discovery and the accessibility to structure‐activity relationship studies were validated by performing an assay for osteoclast‐specific tartrate‐resistant acid phosphatase activity, resulting in the identification of a seed compound for bone‐resorptive diseases such as osteoporosis.
Manufacturing and Application of Lightweight Aggregates from Construction and Demolition Waste
Authors: Schnell Alexander , Rübner Katrin , Seher Julia , Müller Constanze , Müller Anette , Liebezeit Steffen , Fenner Jacob , Martin Falk , Pniok Nicole 
Published: June 2024

AbstractThe objective of the REALight project is the development of a thermal process to produce lightweight aggregates in pilot scale and the implantation of a method to recover gypsum. Beside construction and demolition waste, various industrial by‐products are studied as raw materials. The raw materials have so far been unused or used in applications with lower quality requirements. To prove the performance of the lightweight aggregates, their technical properties are tested and their use in different applications is studied, e.g., for lightweight mortars as well as lightweight concretes.
Ionic Liquid‐Assisted Defect Passivation for Efficient Carbon‐Based Perovskite Solar Cells with Enhanced Filling Factor
Authors: Zhang Junfang , Lu Jiangying , Li Xinrui , Zhao Suxin , Yang Ye , Chen Peican , Cheng Hanchi , Zhou Liya 
Published: June 2024

AbstractThe preparation of high‐quality perovskite thin films with long‐term stability is the prerequisite for realizing efficient perovskite solar cells (PSCs). In this work, the effect of the bifunctional additive 1‐ethyl‐3‐methylimidazolium acetate (EMIMAc) ionic liquid on defect passivation in perovskite films was systematically investigated. Both theoretical simulations and experimental results reveal that EMIMAc has a strong coordination interaction with the undercoordinated Pb2+ through the lone electron pairs of carboxyl functional groups and the electron‐rich imidazole moieties, leading to a decreased deep defect density of MAPbI3 system. Besides, EMIMAc treatment realizes energy band alignment. As a result, the photoelectric conversion efficiency (PCE) of optimized PSCs reaches 17.07 %, and the filling factor (FF) exceeded 74.91 % which is the highest FF for hole transport layer (HTL)‐free carbon‐based MAPbI3 devices based on TiO2 electron transport layer. Moreover, the unencapsulated EMIMAc‐modified device maintains approximately 89 % of its initial PCE after 30 days, which demonstrates much better air stability than control devices. These results provide effective strategies for improving the efficiency and long‐term stability of HTL‐free carbon‐based PSCs (H‐C‐PSCs).