bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ökobilanzielle Bewertung von Wohnbauten – Teil 1: Erreichbarkeit der KfW‐Anforderungen „Klimafreundlicher Neubau“
Authors: Dorff Frederic , Vukadinovic Mario , Lützkendorf Thomas , König Holger , Schlitzberger Stephan , Maas Anton , Höttges Kirsten , Lange Georg 
Published: October 2024

AbstractIn Deutschland wird derzeit diskutiert, ob, wann und wie Anforderungen an die Begrenzung der Treibhausgasemissionen im Lebenszyklus von Gebäuden in das Ordnungsrecht integriert werden sollen. Traditionell erfolgt im Vorlauf zu solchen Entscheidungen eine Erprobung möglicher Berechnungsansätze und Anforderungsniveaus in Form eines Förderprogramms. Das Förderprogramm der KfW zu klimafreundlichen Neubauten (KFN) übernimmt hierfür Anforderungen aus dem Qualitätssiegel Nachhaltiges Gebäude (QNG) zur Berechnung und Bewertung der Treibhausgasemissionen. Das QNG enthält Grenzwerte für den Aufwand an nichterneuerbarer Primärenergie sowie für die Treibhausgasemissionen im Lebenszyklus. Im Rahmen einer zweiteiligen Veröffentlichung werden diese Anforderungen sowie die Möglichkeiten ihrer Erfüllung unter den realen Bedingungen der aktuellen Planungs‐ und Baupraxis vorgestellt und Handlungsempfehlungen gegeben. Gegenstand der mit Stand Sommer 2024 geführten Untersuchungen sind neu errichtete Wohnbauten unterschiedlicher Größen und Bauweisen. Im vorliegenden Teil 1 werden die Ergebnisse der Analyse zur Erreichbarkeit von Anforderungen vorgestellt und diskutiert.
Development of Tailored Hydrocarbon‐Based Pentablock Copolymer Membranes for Sodium‐Polysulfide Flow Batteries
Authors: Lehmann Michelle , Saito Tomonori , Kamaludeen Mohamed , Yang Guang 
Published: October 2024

AbstractLong‐duration energy storage (LDES) technologies are pivotal for the adoption of renewables like wind and solar. Non‐aqueous redox flow batteries (NARFBs) with a sodium‐polysulfide hybrid system feature high energy density independent of power density, yet face challenges with polysulfide shuttling. This study investigates a hydrocarbon‐based penta‐block copolymer membrane, Nexar, to mitigate crossover effects by balancing TFSI conversion and their crosslink density. The membranes are annealed to induce crosslinking for reducing electrolyte uptake and enhancing mechanical stability while demonstrating excellent ionic conductivity. The hydrocarbon‐based membranes address environmental concerns associated with perfluoroalkyl substances and improve the performance and durability of NARFBs. Our findings suggest that annealed Nexar membranes with tailored TFSI functionality offer a scalable, cost‐effective solution for enhancing the efficiency of high‐capacity energy storage systems, pivotal for grid integration of renewable sources.
How bacteria initiate DNA replication comes into focus
Authors: Rashid Fahad , Berger James M. 
Published: October 2024

AbstractThe ability to initiate DNA replication is a critical step in the proliferation of all organisms. In bacteria, this process is mediated by an ATP‐dependent replication initiator protein, DnaA, which recognizes and melts replication origin (oriC) elements. Despite decades of biochemical and structural work, a mechanistic understanding of how DnaA recognizes and unwinds oriC has remained enigmatic. A recent study by Pelliciari et al. provides important new structural insights into how DnaA from Bacillus subtilis recognizes and processes its cognate oriC, showing how DnaA uses sequence features encoded in the origin to engage melted DNA. Comparison of the DnaA‐oriC structure with archaeal/eukaryl replication origin complexes based on Orc‐family proteins reveals a high degree of similarity in origin engagement by initiators from di domains of life, despite fundamental differences in origin melting mechanisms. These findings provide valuable insights into bacterial replication initiation and highlight the intriguing evolutionary history of this fundamental biological process.
Integrative multi‐omic and machine learning approach for prognostic stratification and therapeutic targeting in lung squamous cell carcinoma
Authors: Zhang Xiao , Zhang Pengpeng , Ren Qianhe , Li Jun , Lin Haoran , Huang Yuming , Wang Wei 
Published: October 2024

AbstractThe proliferation, metastasis, and drug resistance of cancer cells pose significant challenges to the treatment of lung squamous cell carcinoma (LUSC). However, there is a lack of optimal predictive models that can accurately forecast patient prognosis and guide the selection of targeted therapies. The extensive multi‐omic data obtained from multi‐level molecular biology provides a unique perspective for understanding the underlying biological characteristics of cancer, offering potential prognostic indicators and drug sensitivity biomarkers for LUSC patients. We integrated diverse datasets encompassing gene expression, DNA methylation, genomic mutations, and clinical data from LUSC patients to achieve consensus clustering using a suite of 10 multi‐omics integration algorithms. Subsequently, we employed 10 commonly used machine learning algorithms, combining them into 101 unique configurations to design an optimal performing model. We then explored the characteristics of high‐ and low‐risk LUSC patient groups in terms of the tumor microenvironment and response to immunotherapy, ultimately validating the functional roles of the model genes through in vitro experiments. Through the application of 10 clustering algorithms, we identified two prognostically relevant subtypes, with CS1 exhibiting a more favorable prognosis. We then constructed a subtype‐specific machine learning model, LUSC multi‐omics signature (LMS) based on seven key hub genes. Compared to previously published LUSC biomarkers, our LMS score demonstrated superior predictive performance. Patients with lower LMS scores had higher overall survival rates and better responses to immunotherapy. Notably, the high LMS group was more inclined toward “cold” tumors, characterized by immune suppression and exclusion, but drugs like dasatinib may represent promising therapeutic options for these patients. Notably, we also validated the model gene SERPINB13 through cell experiments, confirming its role as a potential oncogene influencing the progression of LUSC and as a promising therapeutic target. Our research provides new insights into refining the molecular classification of LUSC and further optimizing immunotherapy strategies.
Online monitoring of methane transfer rates unveils nitrogen fixation dynamics in Methylococcus capsulatus
Authors: Engel Dominik , Hoffmann Maximilian , Kosfeld Udo , Mann Marcel 
Published: October 2024

AbstractThis study explores methane utilization by the methanotrophic microorganism Methylococcus capsulatus (Bath) for biomass production, presenting a promising approach to mitigate methane emissions and foster the development sustainable biomaterials. Traditional screening methods for gas cultivations involve either serum flasks without online monitoring or costly, low‐throughput fermenters. To address these limitations, the Respiration Activity MOnitoring System was augmented with methane sensors for real‐time methane transfer rate (MTR) monitoring in shake flasks. Utilizing online monitoring of the MTR in shake flasks results in enhanced throughput and cost‐effectiveness for cultivating M. capsulatus. Simultaneous monitoring of transfer rates for oxygen, methane, and carbon dioxide was conducted in up to eight shake flasks, ensuring the success of the cultivation process. Alterations in methane‐to‐oxygen transfer rate ratios and carbon fixation rates reveal the impact of transfer limitations on microbial growth. Detection of gas transfer limitations, exploration of process parameter influences, and investigations of medium components were enabled by the introduced method. Optimal nitrogen concentrations could be determined to ensure optimal growth. This streamlined approach accelerates the screening process, offering efficient investigations into metabolic effects, limitations, and parameter influences in gas fermentations without the need for elaborate offline sampling, significantly reducing costs and enhanced reproducibility.
Bayesian insights on digitalization and environmental sustainability practices. Towards the twin transition in the EU
Authors: Aiello Francesco , Cozzucoli Paolo C. , Mannarino Lidia , Pupo Valeria 
Published: October 2024

AbstractUtilizing a Bayesian network approach, this paper uncovers the probabilistic relationships between digital technologies (DTs) and environmental sustainability practices (ESs), aiming to identify specific portfolios of digital solutions that significantly contribute to environmentally friendly strategies of European firms. Data are from a sample of 10,583 European firms surveyed in 2020 through Flash Eurobarometer 486. Results reveal that the adoption of a “one instrument, one objective” approach highlights high‐speed infrastructure as optimal for recycling and waste reduction, while an approach involving “more instruments, joint scopes” demonstrates the highest probability of circular economy (CE) practices with specific combinations of DTs. Importantly, the paper contributes to illuminating the current representation of twin transition by assessing the effect of DTs by comparing conditional probabilities with marginal probabilities across a multitude of outcomes (optimal DTs and ES combinations), thereby offering implications for research, managerial practice, and policymaking.
Isolation and Identification of Monoterpenoids from Callicarpa Nudiflora
Authors: Fan Minghui , Du Tingting , Liu Xiaoyan , Xu Hongtao , Chen Ting , Chou Guixin 
Published: October 2024

AbstractA phytochemical and directional investigation was carried out on the leaves of Callicarpa nudiflora. Various separation methods including silica gel, sephadex LH‐20, medium pressure liquid chromatography (MPLC), preparative thin‐layer chromatography (p‐TLC) and preparative high performance liquid chromatography (p‐HPLC) were used to isolate 10 compounds. The comprehensive structural elucidation of five novel monoterpenoids (1–5) was achieved through multi‐spectroscopic analyses, and advanced quantum mechanical electronic circular dichroism (ECD) calculations. Furthermore, the anti‐inflammatory activity of the identified compounds was assessed.
Synthesis, Structure, and Catalytic Reactivity of Bioinspired Models of Calcium‐ and Lanthanide‐Dependent Methanol Dehydrogenase
Authors: Chao Mianran , Sun Chaoyue , Zhang Xuan , Shen Duyi 
Published: October 2024

AbstractIt has been a long‐standing goal for chemists to develop selective catalytic oxidation systems with molecular oxygen as a green terminal oxidant from the inspiration of active sites in natural metalloenzymes. Lanthanide‐centered methanol dehydrogenase (Ln‐MDH), which contains the same pyrroloquinoline quinone (PQQ) redox cofactor as the analogous calcium‐based MDH (Ca‐MDH) and exhibits good reactivity in alcohol oxidation, was discovered in 2011 and aroused extensive research interest during the past decade. In this review, we present the progress in the bioinorganic and biomimetic chemistry of the metal‐PQQ‐MDH that includes (1) an introduction of the structure, synthesis, and property of the coenzyme PQQ, the metal‐PQQ active sites, the two commonly believed mechanisms of alcohol oxidation, and the insights from computation chemistry; (2) representative structures and the alcohol oxidation mechanism of Ca‐MDH inspired transition‐metal models from an earlier time to around 2000; (3) the developments in the ligand modifications, coordination chemistry, and catalytic alcohol oxidation of the model systems of Ln‐MDH from 2011 to June 2024; and (4) other biological or chemical metal‐PQQ‐like systems and the applications in broader fields. Finally, the challenge and opportunity in the bioinspired catalytic oxidation systems, as well as the clarification of the enzymatic mechanism, were mentioned.
Electrodeposition and Optimisation of Amorphous NixSy Catalyst for Hydrogen Evolution Reaction in Alkaline Environment
Authors: Lyu Cheng , Loh Adeline , Jones Mikey , Trudgeon David , Corbin Jack , Cao Jianyun , Zhang Zhenyu , Connor Peter , Li Xiaohong 
Published: October 2024

AbstractAnion exchange membrane (AEM) water electrolysers have shown their potential in green hydrogen production. One of the crucial tasks is to discover novel cost‐effective and sustainable electrocatalyst materials. In this study, a low‐cost Ni−S‐based catalyst for hydrogen evolution reaction was prepared via a simple electrodeposition process from a modified Watts bath recipe. Physical characterisation methods suggest this deposit film to be amorphous. Optimisation of the electrodeposition parameters of the NixSy catalyst was carried out using a rotating disk electrode setup. The optimised catalyst exhibited excellent catalytical performance in 1 M KOH on a microelectrode, with overpotentials of 41 mV, 111 mV and 202 mV at 10, 100 and 1000 mA cm−2 with Tafel slope of 67.9 mV dec−1 recorded at 333 K. Long‐term testing of the catalyst demonstrated steady performance over a 24 h period on microelectrode at 100 mA cm−2 with only 71 mV and 37 mV overpotential increase at 293 K and 333 K respectively. Full cell testing with the optimised NixSy as cathode and NiFe(OH)2 as anode showed 1.88 V after 1 h electrolysis at 500 mA cm−2 in 1 M KOH under 333 K with FAA‐3‐30 membrane.
Enzymatic Cleavage of Double‐Stranded DNA‐Encoded Libraries (DELs) to Single‐Stranded DELs with Compounds at the 3′ End: Its Application in Photo‐Crosslinking Selection
Authors: Niwa Masatoshi , Hayashida Jun , Tokugawa Munefumi , Nanya Takeshi , Tanabe Masako , Honda Naoko , Inohana Takehiko , Fukano Hajime , Shigeta Yukihiro , Kuboyama Takeshi , Itoh Shin 
Published: October 2024

AbstractDNA‐encoded library (DEL) technology is a crucial tool in pharmaceutical research, rapidly identifying compounds that bind to a target of interest from an extensive pool of compounds. In this study, we propose a new method for generating single‐stranded DELs (ssDELs) with compounds at the 3’ end. The introduction of uniquely designed hairpin‐shaped headpieces containing deoxyuridine (NC‐HP) and the use of a cleavage enzyme facilitate the conversion from double‐stranded DELs (dsDELs) to such ssDELs. Moreover, Klenow fill‐in provides the dsDELs with photo‐crosslinkers covalently linked to the coding region, which exhibit durability even under stringent washing conditions and enable photo‐crosslinking with a high signal‐to‐noise ratio, as also confirmed in cell‐based photo‐crosslinking selections.
Structurally‐Modulated Substrate of MXene for Surface‐Enhanced Raman Scattering Sensing
Authors: Gao Zhiwei , Lai Wei 
Published: October 2024

AbstractThe distinctive structure of MXene offers exceptional electron transport properties, abundant surface chemistry, and robust mechanical attributes, thereby bestowing it with remarkable advantages and promising prospects in the realm of surface‐enhanced Raman scattering (SERS). This review comprehensively outlines the evolution, synthesis methodologies, and characterization techniques employed for MXene‐based SERS substrates. It delves into the intricacies of its SERS enhancement mechanism, substrate variants, and performance metrics, alongside showcasing its diverse applications spanning molecular detection, biosensing, and environmental monitoring. Furthermore, it endeavors to pinpoint the research bottlenecks and chart the future research trajectories for MXene‐based SERS substrates.
Catalytic Transformation of Biomass into Sustainable Carbocycles: Recent Advances, Prospects, and Challenges
Authors: Dutta Saikat 
Published: October 2024

AbstractOrganic compounds bearing one or more carbocycles in their molecular structure have a discernible presence in all major classes of organic products of industrial significance. However, sourcing carbocyclic compounds from exhaustible, anthropogenic carbon (e. g., petroleum) raises serious concerns about sustainability in the chemical industries. This review discusses recent advances in the renewable synthesis of carbocyclic compounds from biomass components following catalytic pathways. The mechanistic insights, process optimizations, green metrics, and alternative synthetic strategies of carbocyclic compounds have been detailed. Moreover, the renewable syntheses of carbocycles have been assessed against their existing synthetic routes from petroleum for better perspectives on their sustainability and technological preparedness. This work will assist the researchers in acquiring updated information on the sustainable synthesis of carbocyclic compounds from various biomass components, comprehending the research gaps, and developing superior synthetic processes for their commercial production.
Novel High Efficiency V‐Band Pure TEM D‐PRGW Antenna for 5G mmWave Applications
Authors: Khodja K. , Atia S. , Messaoudene I. , Belazzoug M. , Merabet I. , Melouki N. , Denidni T. A. 
Published: October 2024

ABSTRACTThis paper starts with the proposal of an enhanced version of a planar rectangular slot antenna fed by the quasi‐TEM printed ridge gap waveguide (PRGW), attended with a numerical study of a miniaturization procedure showing the limitations of the conventional PRGW‐based antennas. Then innovative solution is introducing a new miniaturized pure TEM wide‐band slot antenna utilizing double PRGW (D‐PRGW) technology; the proposed approach is self‐packaged and shows high potential for enhancing antenna performance, particularly in terms of bandwidth, gain, and compactness. This technology is featured with low loss, high performance, and compact size; it consists of surrounding the ridge area with a double layer of electromagnetic band gap (EBG) lattice instead of one to eliminate the surface waves effectively and keep the signal completely confined inside the ridge area with strict minimum rows of EBG. Therefore, a broad impedance matching bandwidth (|S11| ≤ −10 dB) of 33.33% is obtained from 50 to 70 GHz, which covers the unlicensed NR parts (n262; amp; n263) of the V band. Furthermore, the antenna achieves a peak gain of approximately 16 at 65 GHz while the overall efficiency remains above 90% across the entire operating frequency band. The high performance along with the compact size of this novel design makes it a good candidate for 5G wireless communications applications centered around 60 GHz.
Pitfalls in Urine Cytology: A Case of Fumarate Hydratase‐Deficient Renal Cell Carcinoma Initially Diagnosed as High‐Grade Urothelial Carcinoma
Authors: Cheng Kai , Zhang Xuelian , Zhou Xiaodie , Wang Xiaotong , Bao Wei , Rao Qiu 
Published: October 2024

ABSTRACTFumarate hydratase (FH)‐deficient renal cell carcinoma (RCC) is a rare, aggressive, hereditary subtype of renal cancer that requires careful diagnostic considerations. We report a case of a 33‐year‐old Asian woman who presented with a 20‐day history of hematuria. Imaging studies revealed a solid tumor in the lower pole of the right kidney with lymph node metastases. Urinary cytology revealed benign squamous cells, inflammatory cells, and atypical epithelial cells, suggestive of high‐grade urothelial carcinoma. Following a right nephrectomy, the tumor displayed papillary structures composed of cells exhibiting atypical, elongated nuclei with eosinophilic nucleoli and peripheral halos. Immunohistochemical staining demonstrated negative FH expression. Genetic analysis identified a somatic missense mutation in the FH gene, confirming the diagnosis of FH‐deficient RCC. This case highlights the importance of integrating cytological, histological, and genetic analyses for accurate diagnosis of FH‐deficient RCC.
Diagnostic Agreement in Whole Slide Digital Images of Cervical Cytology and Cell Blocks
Authors: Negri Giovanni , Tauber Martina , Pinamonti Maurizio , Golinelli Luca , Garofalo Maja , Vittadello Fabio , Capitanio Arrigo 
Published: October 2024

ABSTRACTBackgroundCell blocks (CB) are an established technique in non‐gynecological cytology, but experience in gynecological cytology is still relatively limited. In this study, we compared the diagnostic agreement between liquid‐based cytology (LBC) and CB using whole slide digital imaging (WSI).MethodsWSI of 82 specimens (41 LBC and 41 CB) were evaluated independently by three observers.ResultsThe overall agreement was 0.463 for all 82 cases including both LBC and CB, 0.439 for LBC alone, and 0.484 for CB alone. Agreement was highest for HSIL, NILM, cancers and lower for borderline (ASC‐US, ASC‐H). There was no significant difference in agreement between LBC and CB.ConclusionsWSI of CB can be used for the diagnosis of cervical lesions and may be particularly useful in cases with high atypical cellularity or large hyperchromatic cell groups.
Trifolirhizin targets PTK6 to induce autophagy and exerts antitumor effects in nasopharyngeal carcinoma
Authors: Wang Yong , Fang Yang 
Published: October 2024

AbstractTrifolirhizin, a natural flavonoid glycoside, has been proved to exert antitumor activities in various human malignant tumors. PTK6 was identified as a direct target of trifolirhizin based on public database SuperPred (https://prediction.charite.de/). Overexpressed PTK6 in a variety of tumors is closely associated with the malignant development of tumors. Herein, this present research was formulated to elaborate the effects of trifolirhizin on the biological behaviors of nasopharyngeal carcinoma (NPC) cells and to probe into the intrinsic mechanisms. The current study firstly elucidated the tumor‐inhibiting functions of trifolirhizin in NPC malignant progression from the perspective of targeting inhibition of PTK6. In this work, CCK‐8 for cell viability, EdU staining for cell proliferation, terminal deoxynucleotidyl transferase dUTP nick end labeling (TUNEL) staining for cell apoptosis and immunofluorescence staining for LC3 expression were performed. Besides, levels of proliferation‐related, apoptosis‐related and autophagy‐related proteins were detected by western blot analysis. Moreover, molecular docking of trifolirhizin with PTK6 was conducted to seek the compound‐protein binding potential. It was demonstrated that trifolirhizin treatment inhibited the proliferation and promoted the apoptosis of NPC cells as well as strengthened autophagy in NPC cells. Furthermore, it was verified that trifolirhizin targeted PTK6 and negatively regulated PTK6 expression. The suppressive effects of trifolirhizin on the malignant behaviors of NPC cells and the enhancing effect of trifolirhizin on autophagy in NPC cells were partly abolished upon upregulation of PTK6. To conclude, findings suggested that trifolirhizin may downregulate PTK6 expression to induce autophagy and exert the antitumor activities in NPC.