bluuebunny/crossref_metadata_2025 huggingface dataset:
Preprocessing of spectroscopic data to highlight spectral features of materials
Authors: Esquivel Francisco Javier , Romero‐Béjar José Luis , Esquivel José Antonio
Published: October 2024

The study of the extensive data sets generated by spectrometers, which are of the type commonly referred to as big data, plays a crucial role in extracting valuable information on mineral composition in various fields, such as chemistry, geology, archaeology, pharmacy and anthropology. The analysis of these spectroscopic data falls into the category of big data, which requires the application of advanced statistical methods such as principal component analysis and cluster analysis. However, the large amount of data (big data) recorded by spectrometers makes it very difficult to obtain reliable results from raw data. The usual method is to carry out different mathematical transformations of the raw data. Here, we propose to use the affine transformation for highlight the underlying features for each sample. Finally, an application to spectroscopic data collected from minerals or rocks recorded by NASA's Jet Propulsion Laboratory is performed. An illustrative example has been included by analysing three mineral samples, which have different diageneses and parageneses and belong to different mineralogical groups.
Colorimetric chitosan/polyvinyl alcohol composite membrane incorporated with anthocyanins as pH indicator for monitoring fish freshness
Authors: Nguyen Khoa Dang , Phung Danh Nguyen Duc , Nguyen Tuyen Thi Thanh , Le Oanh Thi Kim , Cao Trang Ngoc Minh , Truong Trang Thi Cam , Phan Ngan Thi Thu , Le Thi Anh Phuong
Published: October 2024

During storage, food undergoes transformations, often producing volatile nitrogen compounds known as total volatile basic nitrogen (TVB‐N), which serves as an indicator of food freshness. In this study, chitosan (CTS) was blended with polyvinyl alcohol (PVA) and incorporated with anthocyanins (ACNs) to monitor the quality changes in fish fillets over different time intervals. The results demonstrated that the presence of PVA in the CTS membrane enhanced light transmittance and reduced water absorption due to the reinforcement of the membrane structure through chemical interactions. In the freshness monitoring experiments, the CTS/PVA membranes exhibited an improved value of total color difference (ΔE), facilitating better detection of pH changes of the surrounding environment. Moreover, the ΔE value of the CTS/PVA film was observed to be quite similar to the value at pH 9 after 24 h and at pH 11 after 36 h when the fish fillet was stored at 25°C. In contrast, the ΔE value of the CTS/PVA film closely matched the value at pH 11 after 96 h of storage at 4°C. Additionally, the correlation between the generated TVB‐N and the ΔE values indicated a higher correlation coefficient (R2) for the composite membranes compared to the pristine CTS or PVA membranes.
Morphology and methanol permeability of sulfosuccinic acid cross‐linked polyvinyl alcohol and polyvinyl alcohol/Nafion nanofibrous membranes
Authors: Işılay Mert , Çay Ahmet , Akduman Çiğdem , Kumbasar Emriye Perrin Akçakoca , Ertaş Hasan
Published: October 2024

Cross‐linking of polyvinyl alcohol (PVA) and polyvinyl alcohol/Nafion (PVA/Nafion) electrospun nanofibers with sulfosuccinic acid (SSA) was investigated to assess their characterization and the effects of cross‐linking on the methanol permeability performance of the nanofibrous membranes. SSA was directly incorporated into the electrospinning polymer solution. The morphology, chemical functional groups, thermal stability, water stability and water swelling of the resulting nanofibers were examined. The effects of SSA concentration on ion exchange capacity (IEC) and methanol permeability of the nanofibrous membranes were discussed. Bead‐free and smooth nanofibers were produced for all SSA concentrations with a mean nanofiber diameter of 240–270 nm. It was shown that 15% SSA concentration was suitable for preserving the morphology of PVA nanofibers against water, while the morphology of PVA/Nafion nanofibers was preserved even without cross‐linking. The increase in SSA concentration led to increase in swelling in water. SSA cross‐linking was also shown to increase the thermal stability of the produced nanofibers. IEC increased by the increase in SSA concentration, while increase in SSA concentration led to a decrease in methanol permeability.
Construction of a hydrophobicity, phosphorus‐ and nitrogen‐containing layered double hydroxides‐based synergistic effect flame retardant for poly (lactic acid)
Authors: Wang Kunyan , Gao Yibo , Zhang Zuocheng , Fang Zhou , Guo Yuhua , Tang Peisong , Pan Guoxiang
Published: October 2024

In this work, a synergistic effect strategy was explored for fabricating hydrophobicity, phosphorus‐ and nitrogen‐containing layered double hydroxides nanosheets (LDHs) based flame retardant (LDHs‐K@DM). This fabricating process was achieved by amination of the surface of LDHs and, subsequently, interfacial self‐assembly with high P content of diethylenetriaminpenta (methylene‐phosphonic acid) (DTPMP) and high N content of melamine (MEL). The chemical construction and thermal stabilization properties of LDHs‐K@DM were confirmed via different characterization approaches. The results revealed that LDHs‐K@DM was successfully prepared and the surface of LDHs‐K@DM was transformed into hydrophobicity with high water contact angle. Moreover, LDHs‐K@DM had better thermal stability. After that, LDHs‐K@DM was molten compounded with biobased polylactic acid (PLA). It was suggested that LDHs‐K@DM were uniformly dispersed in the PLA matrix and could accelerate the decomposition of PLA to form char residues. Most importantly, the addition of 20 wt% LDHs‐K@DM into PLA can endow the composite to achieve a desirable UL‐94 V‐0 rating and the limiting oxygen index value of 30.9%. Finally, the synergistic effect flame retardant mechanism of LDHs‐K@DM was comprehensively analyzed. This synergistic decorating strategy for preparing LDHs‐K@DM flame retardant is promising for industrial production.
Novel pervaporation separation of PVA/CS blend membranes for the removal of DMF from industrial wastewater
Authors: Xia Rongying , Yang Zhixiu , Sun Dayu , Wang Ziqi , Yao Mingzhu , Liu Huijun , Yang Lei , Ma Guanghui , Gao Lijing , Wei Ruiping , Xiao Guomin , Pan Xiaomei
Published: October 2024

Achieving satisfactory separation of N, N‐Dimethylformamide (DMF)/water is still challenging in industrial wastewater treatment. To address this issue, a novel method involving pervaporation (PV) separation using polyvinyl alcohol/chitosan (PVA/CS) blend films is proposed. Various characterization methods confirmed the strong compatibility between PVA and CS, and the blending improved their mechanical properties and thermal stability. Heat treatment significantly reduced the swelling degree of the membranes. In a binary aqueous system with low concentrations of DMF, controlled separation can be achieved by adjusting the blending ratio of PVA to CS. The membranes exhibited preferential selectivity for DMF when the CS content is 40–75 wt%, which allowed for the concentration and recovery of DMF. At 20 °C with a feed of 10 wt% DMF solution, 2 h heat‐treated PVA/CS‐50 membrane exhibited the best performance, which could be attributed to its strong hydrogen bonding force, with a total flux of 484.09 g m−2 h−1 and a separation factor of 5.41 for DMF. The PVA/CS blend membranes exhibit excellent acid and alkali resistant and are promising candidates for the separation and recovery of DMF from industrial wastewater by membrane technology.
Vinyl methyl oxazolidinone and dimethyl itaconate as styrene substitutes for conventional high‐temperature unsaturated polyester resins
Authors: Wylezek Maciej , Sandten Christian , Stuck Moritz , Thomann Felix , Adermann Torben , Komber Hartmut , Lorenz Reinhard , Voit Brigitte
Published: October 2024

Styrene substitution is a major area of interest in the unsaturated polyester resins (UPR) industry and research. For most styrene‐free UPRs the unsaturated polyester (UP) formulation was tailored for less toxic reactive diluent monomers (RDM). The main challenge is finding a RDM that can directly substitute styrene in industrial UPR formulations without deterioration of resin and thermoset properties. Therefore, this study concerns vinyl methyl oxazolidinone (VMOX®) as a reactive diluent monomer for industrial high‐temperature UPRs. VMOX® and styrene were compared with dimethyl itaconate (DMI), methyl methacrylate, 2‐hydroxyethyl methacrylate, isobornyl methacrylate, triethylene glycol dimethacrylate and 1,4‐butanediol dimethacrylate. Further, the properties of produced resins and thermosets were investigated. The most striking result was comparable glass transition temperature, crosslink density, and residual monomer content of VMOX®‐ and styrene‐based thermosets. Subsequently, DMI was applied as a reactive co‐diluent for VMOX®‐based resins and thermosets. Significant improvement of VMOX® conversion during resin curing was observed. In conclusion, VMOX® is an excellent candidate for direct styrene substitution in industrial high‐temperature UPRs. Furthermore, the application of DMI as a reactive co‐diluent improves the reactivity of VMOX®‐based resins. The application of VMOX® and reactive co‐diluent monomer certainly creates new possibilities for direct styrene substitution in conventional UPR formulations.
High‐performance polybenzimidazole blend membranes based on a commercially available anion‐exchange polymer and F6PBI for vanadium redox flow batteries
Authors: Stonawski Julian , Schroeder Melanie , Gördes Janett , Hager Linus , Hutzler Andreas , Böhm Thomas , Thiele Simon , Kerres Jochen
Published: October 2024

Renewable energy is essential for the transition to a carbon‐neutral society. Due to their intermittent nature, temporary storage is required. The all‐vanadium redox flow battery (VRFB) is a promising technology for this purpose. Commercially available membranes, such as the FAPQ330 from Fumatech BWT, already show reasonable performance but still have room for improvement in selectivity and conductivity. In this study, we developed new ductile porous blend membranes based on the polybenzimidazole F6PBI by mixing it with poly(diallyldimethylammonium bis(trifluoromethane)sulfonimide), which was prepared from the commercially available poly(dimethylammonium chloride) (PDADMAC). Three types of membranes with different amounts of PDADMA*TFSI in the blend solution were prepared and characterized. Ex‐situ conductivity measurements showed conductivities between 8.3 and 30.5 mS cm−1. Ex‐situ permeability tests revealed significantly lower permeabilities compared to the reference membrane FAPQ330. No change in ex‐situ conductivity was measured after the ex‐situ stability test. F6PBI‐PDAD37 reached the highest energy efficiency at 50, 100, and 200 mA cm−2 among all tested membranes. For example, a VRFB single‐cell equipped with F6PBI‐PDAD37 showed an improved EE of 76.5% at 200 mA cm−2, which is higher than the EE of FAPQ330 (74.3%).
Hydroxyapatite‐spent cathode carbon block modified asphalt and molecular dynamics simulation study
Authors: Li Xinyu , Ren Denghui , Wang Peihui , Lai Fang , Fu Xiangqi , Liang Huiqun , Zhao Zhongxing , Li Jing
Published: October 2024

The highly toxic substances contained in spent cathode carbon blocks (SCCB) pose a serious threat to human health and the ecological environment, and are difficult to recycle. To address this issue, we utilize H2O2 to oxidize cyanides and grow hydroxyapatite (HAP) on spent cathode carbon blocks to adsorb fluoride ions, achieving controlled removal of cyanides and fluorides. Subsequently, the hydroxyapatite‐spent cathode carbon block composite material (H‐SCCB) is applied to modified asphalt, and simulations of the interaction between hydroxyapatite interfaces and asphalt components are conducted. The results indicate that the total cyanide and fluoride ion concentrations in the experimental wastewater meet the discharge standards for industrial wastewater in China. Hydroxyapatite successfully grows on SCCB, presenting a rich porous structure and significantly increased surface area. Mechanical testing shows that 4% H‐SCCB exhibits optimal performance, with a 23.28% increase in complex modulus (G*) compared to the matrix asphalt. Creep recovery capability (R) increases by 54.32% and 7%, respectively. Additionally, molecular dynamics simulations reveal that the interface adsorption between hydroxyapatite and asphalt binder is primarily influenced by electrostatic forces. Under the influence of hydroxyapatite, the diffusion abilities of asphalt four components are as follows: resin > aromatic > saturate > asphaltene.
NiIr Nanowire Assembles as an Efficient Electrocatalyst Towards Oxygen Evolution Reaction in Both Acid and Alkaline Media
Authors: Zhang Ning , Wang Yalun , Wu Ruxue , Yang Xianwen , Wu Yan , Wang Fangmu , Cui Ping , Liu Guigao , Jiang Wei , Xie Haijiao
Published: October 2024

Oxygen evolution reaction (OER) is the rate‐limiting step in water electrolysis due to its sluggish kinetic, and it is challenging to develop an OER catalyst that could work efficiently in both acid and alkaline environment. Herein, NiIr nanowire assembles (NAs) with unique nanoflower morphology were prepared by a facile hydrothermal method. As a result, the NiIr NAs exhibited superior OER activity in both acid and alkaline media. Specifically, in 0.1 M HClO4, NiIr NAs presented a superior electrocatalytic performance with a low overpotential of merely 242 mV at 10 mA cm−2 and a Tafel slope of only 58.1 mV dec−1, surpassing that of commercial IrO2 and pure Ir NAs. And it achieved a significantly higher mass activity of 148.40 A/g at −1.5 V versus RHE. In 1.0 M KOH, NiIr NAs has an overpotential of 291 mV at 10 mA cm−2 and a Tafel slope of 42.1 mV dec−1. Such remarkable activity makes the NiIr NAs among the best of recently reported representative Ir‐based OER electrocatalysts. Density functional theory (DFT) calculations confirmed alloying effect promotes surface bonding of NiIr with oxygen‐containing reactants, resulting in excellent catalytic properties.
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

In 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

Long‐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

The 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

The 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

This 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

Utilizing 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

A 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

It 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

Anion 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

DNA‐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

The 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

Organic 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

This 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

Fumarate 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

Background

Cell 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).

Methods

WSI of 82 specimens (41 LBC and 41 CB) were evaluated independently by three observers.

Results

The 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.

Conclusions

WSI 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

Trifolirhizin, 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.
Interactions of the Osteokines, Glucose/Insulin System and Vascular Risk Networks in Patients With Newly Diagnosed Type 2 Diabetes (VNDS 15)
Authors: Zusi Chiara , Bonetti Sara , Rinaldi Elisabetta , Csermely Alessandro , Boselli Maria Linda , Travia Daniela , Santi Lorenza , Bonora Enzo , Bonadonna Riccardo C. , Trombetta Maddalena
Published: October 2024

Background and Aim

Bone as an endocrine organ regulates metabolic processes independently of mineral metabolism through the production/release of proteins collectively named ‘osteokines’. Relevant connections were reported between the insulin/glucose system, calcification of the atherosclerotic plaque, and several osteokines. We aimed to test the hypothesis that the osteokine network could be involved in beta‐cell function, insulin sensitivity, and vascular damage in a cohort of people with newly diagnosed type 2 diabetes (T2D).

Subjects and Methods

In 794 drug‐naive, GADA‐negative, newly‐diagnosed T2D patients (mean ± SD age: 59 ± 9.8 years; BMI: 29.3 ± 5.3 kg/m2; HbA1c: 6.6 ± 1.3%) we assessed: plasma concentration of osteocalcin (OCN), osteopontin (OPN), RANKL, and its putative decoy receptor osteoprotegerin (OPG); insulin sensitivity (SI) by hyperinsulinemic euglycemic clamp; beta cell function (BCF), estimated by OGTT minimal modelling and expressed as derivative (DC) and proportional (PC) control. Echo‐doppler of carotid and lower limb arteries were also performed in 708 and 701 subjects, respectively.

Results

OCN, RANKL and OPG were significantly associated with PC (p < 0.02); OCN was positively related to DC (p = 0.018). OPG was associated with lower IS (p < 0.001). Finally, the higher RANKL levels, the greater was the severity of atherosclerosis in common carotid artery (p < 0.001). Increased OPG and OPN concentrations were related to subclinical atherosclerosis in peripheral arteries of lower limbs (p = 0.023 and p = 0.047, respectively).

Conclusion

These data suggest that, in patients with newly diagnosed T2D, the osteokine network crosstalks with the glucose/insulin system and may play a role in modulating the atherosclerotic process.
Diagnosis of the fragmentation of urban ecological network structure and its social‐ecological responses
Authors: Hong Wuyang , Liang Minde , Guo Renzhong , Ma Tao , Li Yelin , Wang Weixi
Published: October 2024

The fragmentation of ecological network structures has become a common problem faced by cities. By establishing the urban ecological network under a specific socio‐ecological system framework, we aimed to propose a quantitative index to diagnose the fragmentation of the network structure, and to construct detection model to explore the driving factors and mechanism of the network fragmentation. Using Shenzhen City as an example, we used the Floyd–Prim algorithm to generate the skeleton structure of the ecological network and construct a density discontinuity index to diagnose network fragmentation. Combined with the ecological network scenario, social‐ecological system framework and a two‐layer indicator system were constructed. The detection models were then established to explore the drivers of network disruption and their mode of impact. The models show that the average degree of network fragmentation in Shenzhen was 0.13, and the density of about 85% of corridor discontinuities was greater than 0.01, reflecting the serious state of structural fragmentation. Corridors with more severe structural fragmentation have poorer social‐ecological coordination. The fragmentation in Shenzhen was mainly affected by the activities of actors (A) at the microlevel and the resource system (RS) at the macrolevel. The methods and the framework of socio‐ecosystem analysis proposed in this paper can reveal the driving factors and influence modes of network fragmentation, providing decision‐making reference for ecological restoration practice in urbanized areas.
Pathways for accidental biocontrol: The human‐mediated dispersal of insect predators and parasitoids
Authors: Fenn‐Moltu Gyda , Liebhold Andrew M. , Weber Donald C. , Bertelsmeier Cleo
Published: October 2024

Introductions of insect predators and parasitoids for biological control are a key method for pest management. Yet in recent decades, biological control has become more strictly regulated and less frequent. Conversely, the rate of unintentional insect introductions through human activities is rising. While accidental introductions of insect natural enemies can potentially have serious ecological consequences, they are challenging to quantify as their movements go largely unobserved. We used historical border interception records collected by the US Department of Agriculture from 1913 to 2018 to describe the diversity of entomophagous insects transported unintentionally, their main introduction pathways, and trends in host specificity. There were 35,312 interceptions of insect predators and parasitoids during this period, representing 93 families from 11 orders, and 196 species from these families. Commodity associations varied, but imported plants and plant products were the main introduction pathway. Most interceptions originated with commodities imported from the Neotropical, Panamaian, and Western Palearctic regions. Among the intercepted species, 27% were found in material originating from more than one country. Two thirds of species were polyphagous host generalists. Furthermore, 25% of species had already been introduced intentionally as biological control agents internationally, and 4.6% have documented negative impacts on native biodiversity or human society. Most of the intercepted species that have not established in the United States are host generalists or have at least one known host species available. The unintentional transport of diverse natural enemy insects has the potential to cause substantial ecological impacts, both in terms of controlling pests through accidental biocontrol and disrupting native communities. Characterizing the insects being transported and their introduction pathways can inform biosecurity practices and management.
Identifying Priority Areas for the Indian Leopard (Panthera pardus fusca) Within a Shared Landscape
Authors: Kolekar Aparna , Hockings Kimberley , Metcalfe Kristian , Gubbi Sanjay
Published: October 2024

Habitat loss is one of the primary drivers of large felid decline. The leopard (Panthera pardus), a generalist large felid species, has the behavioural and dietary flexibility to exploit different habitat types of varying human influence. Understanding habitat selection in a shared landscape is critical for the development of conservation strategies and managing negative human–leopard interactions. The development of conservation policy requires data on large spatial scales, which is mostly lacking, especially within shared landscapes in India. This study aims to determine habitat selection by Indian leopards and the anthropogenic, environmental, and climatic variables contributing to this selection. Leopard occurrence records were obtained from an occupancy survey conducted in the five administrative districts in Karnataka (28,375 km2). 267 randomly selected 30 km2 grids were each walked for 10 km and all leopard signs were recorded. Environment variables were chosen to reflect land use, climatic, topographic, and human disturbances that could affect habitat selection at a resolution of 0.1 km2. The mean ensemble model was projected to the state of Karnataka. Habitat selection predicted by the ensemble model was driven by proximity to forest cover and rocky outcrops, higher precipitation, and negatively by distance to cropland and roads. Protected Areas and Reserved Forests in the study covered 47% of the predicted habitat, while 25% is within human‐use areas such as human habitation and croplands. This study predicts that half of the habitat selected by leopards is outside of protected areas and reserved forests. The selection of human‐use areas is predicted because of the availability of cover from irrigated croplands and the proximity to natural cover that provides refuge. Livestock density did not drive large‐scale habitat selection. The preservation of natural cover and rocky outcrops that provide refuge between protected areas is paramount for leopard conservation.
How Do Age and Attitudes Affect the Quality of Data Collected by Young Citizen Scientists in an Ecological Research Project?
Authors: Aivelo Tuomas
Published: October 2024

Citizen science is increasingly used to collect ecological data. Specifically, participation of school students in authentic research has been suggested as having a multitude of benefits from serving as data collection to providing science education. Nevertheless, the overall quality and quantity of data is concerning for ecologists who are using data for research. In the Helsinki Urban Rat Project, lower‐ and upper secondary school students (13–19‐year‐old) collect data on urban rat occurrence using track plates that record rat footprints. I measured the success of school‐aged citizen scientists in collecting and submitting data, and I determined the accuracy of the data they submitted by comparing their results to the results from professional researchers. Furthermore, I used additional questionnaire to relate success and accuracy to student attributes, including age, attitudes about biology as a school subject, interest in the environment and disgust sensitivity toward rats. I learned that, in contrast to results from previous studies, age was not a significant variable but rather available support from a teacher and voluntary participation with rewards were associated with higher data quality. Additionally, attitudes played a part in observer quality: higher liking of biology as a school subject was associated with lower accuracy, whereas a higher interest in the environment was associated with higher accuracy. The young citizen scientists provided broadly accurate data, although false‐positive observations were comparatively common. The results suggest that the quality and quantity of citizen‐generated data are not straightforwardly dependent on the selected target groups. Citizen science activities should be planned by careful consideration of the context as, for example, the organization of the participation strongly shapes the participatory activities.