bluuebunny/crossref_metadata_2025_split huggingface dataset:
Wetting vs Droplet Aggregation: A Broadband Rotational Spectroscopic Study of 3‐Methylcatechol⋅⋅⋅Water Clusters
Authors: Hazrah Arsh S. , Insausti Aran , Ma Jiarui , Al‐Jabiri Mohamad H. , Jäger Wolfgang , Xu Yunjie 
Published: September 2023

AbstractTwo competing solvation pathways of 3‐methylcatechol (MC), an atmospherically relevant aromatic molecule, with up to five water molecules were explored in detail by using a combination of broadband rotational spectroscopy and computational chemistry. Theoretically, two different pathways of solvation emerge: the commonly observed droplet pathway which involves preferential binding among the water molecules while the solute serves as an anchor point for the formation of a water cluster, and an unexpected wetting pathway which involves interactions between the water molecules and the aromatic face of MC, i.e., a wetting of the π‐surface. Conclusive identification of the MC hydrate structures, and therefore the wetting pathway, was facilitated by rotational spectra of the parent MC hydrates and several H218O and 13C isotopologues which exhibit splittings associated with methyl internal rotation and/or water tunneling motions. Theoretical modelling and analyses offer insights into the tunneling and conversion barriers associated with the observed hydrate conformers and the nature of the non‐covalent interactions involved in choosing the unusual wetting pathway.
Ligand‐induced Assembly of Copper Nanoclusters with Enhanced Electrochemical Excitation and Radiative Transition for Electrochemiluminescence**
Authors: Sun Qian , Ning Zhenqiang , Yang Erli , Yin Fei , Wu Guoqiu , Zhang Yuanjian , Shen Yanfei 
Published: September 2023

AbstractCopper nanoclusters (CuNCs) are emerging electrochemiluminescence (ECL) emitters with unique molecule‐like electronic structures, high abundance, and low cost. However, the synthesis of CuNCs with high ECL efficiency and stability in a scalable manner remains challenging. Here, we report a facile gram‐scale approach for preparing self‐assembled CuNCs (CuNCsAssy) induced by ligands with exceptionally boosted anodic ECL and stability. Compared to the disordered aggregates that are inactive in ECL, the CuNCsAssy shows a record anodic ECL efficiency for CuNCs (10 %, wavelength‐corrected, relative to Ru(bpy)3Cl2/tripropylamine). Mechanism studies revealed the unusual dual functions of ligands in simultaneously facilitating electrochemical excitation and radiative transition. Moreover, the assembly addressed the limitation of poor stability of conventional CuNCs. As a proof of concept, an ECL biosensor for alkaline phosphatase detection was successfully constructed with an ultralow limit of detection of 8.1×10−6 U/L.
Organo‐Mediator Enabled Electrochemical Deuteration of Styrenes
Authors: Yang Keming , Feng Tian , Qiu Youai 
Published: September 2023

AbstractDespite widespread use of the deuterium isotope effect, selective deuterium labeling of chemical molecules remains a major challenge. Herein, a facile and general electrochemically driven, organic mediator enabled deuteration of styrenes with deuterium oxide (D2O) as the economical deuterium source was reported. Importantly, this transformation could be suitable for various electron rich styrenes mediated by triphenylphosphine (TPP). The reaction proceeded under mild conditions without transition‐metal catalysts, affording the desired products in good yields with excellent D‐incorporation (D‐inc, up to >99 %). Mechanistic investigations by means of isotope labeling experiments and cyclic voltammetry tests provided sufficient support for this transformation. Notably, this method proved to be a powerful tool for late‐stage deuteration of biorelevant compounds.
Interphasial Pre‐lithiation and Reinforcement of Micro‐Si Anode through Fluorine‐free Electrolytes
Authors: Li Qin , Ruan Jiafeng , Weng Suting , Zhang Xiao , Hu Jiaming , Li Huan , Sun Dalin , Wang Xuefeng , Fang Fang , Wang Fei 
Published: September 2023

AbstractMicro‐sized silicon (mSi) anodes offer advantages in cost and tap density over nanosized counterparts. However, its practical application still suffers from poor cyclability and low initial and later‐cycle coulombic efficiency (CE), caused by the unstable solid electrolyte interphase (SEI) and irreversible lithiation of the surface oxide layer. Herein, a bifunctional fluorine (F)‐free electrolyte was designed for the mSi anode to stabilize the interphase and improve the CE. A combined analysis revealed that this electrolyte can chemically pre‐lithiate the native oxide layer by the reductive LiBH4, and relieve SEI formation and accumulation to preserve the internal conductive network. The significance of this F‐free electrolyte brings unprecedented F‐free interphase that also enables the high‐performance mSi electrode (80 wt % mSi), including high specific capacity of 2900 mAh/g, high initial CE of 94.7 % and excellent cyclability capacity retention of 94.3 % after 100 cycles at 0.2 C. This work confirms the feasibility of F‐free interphase, thus opening up a new avenue toward cost‐advantaged and environmentally friendly electrolytes for more emerging battery systems.
Spatially resolved detection of small molecules from press‐dried plant tissue using MALDI imaging
Authors: Long Zane G. , Le Jonathan V. , Katz Benjamin B. , Lopez Belen G. , Tenenbaum Emily D. , Semmling Bonnie , Schmidt Ryan J. , Grün Felix , Butts Carter T. , Martin Rachel W. 
Published: September 2023

AbstractPremiseMatrix‐assisted laser desorption/ionization mass spectrometry imaging (MALDI‐MSI) is a chemical imaging method that can visualize spatial distributions of particular molecules. Plant tissue imaging has so far mostly used cryosectioning, which can be impractical for the preparation of large‐area imaging samples, such as full flower petals. Imaging unsectioned plant tissue presents its own difficulties in extracting metabolites to the surface due to the waxy cuticle.MethodsWe address this by using established delipidation techniques combined with a solvent vapor extraction prior to applying the matrix with many low‐concentration sprays.ResultsUsing this procedure, we imaged tissue from three different plant species (two flowers and one carnivorous plant leaf). Material factorization analysis of the resulting data reveals a wide range of plant‐specific small molecules with varying degrees of localization to specific portions of the tissue samples, while facilitating detection and removal of signal from background sources.ConclusionsThis work demonstrates applicability of MALDI‐MSI to press‐dried plant samples without freezing or cryosectioning, setting the stage for spatially resolved molecule identification. Increased mass resolution and inclusion of tandem mass spectrometry are necessary next steps to allow more specific and reliable compound identification.
Update on immune‐based therapy strategies targeting cancer stem cells
Authors: Izadpanah Amirhossein , Mohammadkhani Niloufar , Masoudnia Mina , Ghasemzad Mahsa , Saeedian Arefeh , Mehdizadeh Hamid , Poorebrahim Mansour , Ebrahimi Marzieh 
Published: September 2023

AbstractAccumulating data reveals that tumors possess a specialized subset of cancer cells named cancer stem cells (CSCs), responsible for metastasis and recurrence of malignancies, with various properties such as self‐renewal, heterogenicity, and capacity for drug resistance. Some signaling pathways or processes like Notch, epithelial to mesenchymal transition (EMT), Hedgehog (Hh), and Wnt, as well as CSCs' surface markers such as CD44, CD123, CD133, and epithelial cell adhesion molecule (EpCAM) have pivotal roles in acquiring CSCs properties. Therefore, targeting CSC‐related signaling pathways and surface markers might effectively eradicate tumors and pave the way for cancer survival. Since current treatments such as chemotherapy and radiation therapy cannot eradicate all of the CSCs and tumor relapse may happen following temporary recovery, improving novel and more efficient therapeutic options to combine with current treatments is required. Immunotherapy strategies are the new therapeutic modalities with promising results in targeting CSCs. Here, we review the targeting of CSCs by immunotherapy strategies such as dendritic cell (DC) vaccines, chimeric antigen receptors (CAR)‐engineered immune cells, natural killer‐cell (NK‐cell) therapy, monoclonal antibodies (mAbs), checkpoint inhibitors, and the use of oncolytic viruses (OVs) in pre‐clinical and clinical studies. This review will mainly focus on blood malignancies but also describe solid cancers.
A novel jigsaw game with eye‐tracking: A multimodel interaction based on psycholinguistics for ADHD therapeutic
Authors: Xinru Wu 
Published: September 2023

AbstractAttention‐deficit hyperactivity disorder (ADHD) causes impulsive or hyperactive behaviors and emotional outbursts or trouble focusing. Simple psychotherapy has difficulty achieving desired therapeutic effects, and ADHD diagnoses in adults and children are increasing. However, e‐health games may mitigate the limitations of traditional methods by providing an ecologically relevant experience. In this paper, inspired by psycholinguistics, multimodal interaction, and he Pupil‐CR method, we have developed a narrative game therapy with eye‐tracking to enhance dyslexia and attention deficit manifestations. Using the situated discourses in the game's interactive narration, ADHD patients can concentrate and reduce anxiety and impulsivity. To evaluate the efficacy in improving attention a controlled trial (N = 48) randomly assigned volunteers in 1:1:1 to an eye‐tracking jigsaw game or two control groups. The principal measure was the average difference in attention comparison score (ACS) of the test of variables of attention (TOVA) preintervention and post‐intervention periods. Based on significant differences observed between the groups, we concluded the eye‐tracking jigsaw game could serve as a viable ADHD intervention for children.
Clove Buds Volatile Compounds: Inhibitory Activity on Mycobacterium Growth and Molecular Docking on Mmr Efflux Pump Drug Resistance
Authors: El Ghallab Yassine , Eddine Jamal Jamal , Aainouss Achraf , El Messaoudi My Driss , Dakir Mohamed , Derfoufi Sanae 
Published: September 2023

AbstractSyzygium aromaticum is used in traditional and modern medicine for its various and outstanding pharmacological properties. Here, we studied the chemical composition of hexane extract and non‐polar fractions (NPF) obtained from the maceration and fractionation of clove buds, in order to evaluate their in vitro antimycobacterial activity, as well as their contribution against efflux pump (EP) resistance through molecular docking experiments. The gas chromatography‐mass spectrometry (GC–MS) analysis of the volatile profiles revealed the presence of eugenol, followed by eugenyl acetate, and β‐caryophyllene as common major compounds. According to Resazurin microtiter assay (REMA), Mycobacterium tuberculosis H37Rv strain was sensitive to all volatile samples at concentration range between 10 and 100 μg/mL. The NPF of ethanol extract was the best inhibitor with a MIC=10 μg/mL. The in silico study revealed a strong binding affinity between eugenol and Mmr EP protein (−8.1 Kcal/mol), involving two binding modes of hydrogen bond and π‐alkyl interactions. The non‐polarity character of clove volatile constituents, and their potential additive or synergistic effects could be responsible for the antimycobacterial activity. In addition, these findings suggest the benefic effect of eugenol in the management of mycobacterium drug resistance, whether as potential inhibitor of Mmr drug EP, or modulator during combination therapy.
Black discoloration of the knee articular cartilage in a patient with pigmented villonodular synovitis: A case report
Authors: Firoozabadi Mohammad Ayati , Mortazavi S. M. Javad , Toofan Hesam , Khalili Marzieh , Shariyate Mohammad Javad 
Published: September 2023

Key Clinical MessageIn this case report, total knee arthroplasty was performed in a patient with pigmented villonodular synovitis. During surgery, severe black discoloration of the articular cartilage and menisci was observed in the patient. According to literatures, this is the first case report of severe articular cartilage pigmentation in a patient with pigmented villonodular synovitis.
Investigations into the yield‐controlled tightening method for steel constructions
Authors: Stranghöner Natalie , Paluska Denis , Jungbluth Dominik , Schaumann Peter , Schierl Christopher 
Published: September 2023

AbstractThe yield‐controlled tightening of bolting assemblies is established in mechanical engineering but has not yet been normatively regulated in steel construction due to a lack of fundamental investigations under practical steel construction conditions. A transferability of the yield‐controlled tightening from mechanical engineering to steel construction is not possible without further investigations due to different safety concepts and unresolved issues such as the reliability of the method in combination with e.g. HV bolting assemblies according to EN 14399‐4/‐6 and DASt‐Guideline 021.The purpose of this contribution is to provide an insight into experimental investigations carried out in the frame of the German IGF research project 20838 N, where the suitability of the yield‐controlled tightening process is evaluated on HV bolting assemblies M12 to M72. First results for diameters M12 and M24 are presented within this contribution. Herein, an evaluation of the application of the yield‐controlled tightening is provided based on the tests already carried out. The results of the yield‐controlled tightening are compared to test results achieved for the modified torque method according to DASt‐Guideline 024 and 021 and the combined method according to EN 1090‐2 and DASt‐Guideline 024.
Numerical study on behaviour of T‐stubs with bolts in tapped holes
Authors: Ptiček Marko , Skejić Davor , Latour Massimo , Rizzano Gianvittorio 
Published: September 2023

AbstractBolts in tapped holes (BTH) use threads on the bolt hole wall as an anchorage instead of nuts used in standard bolt assemblies. Requirements for BTH application are given in the draft version of new Eurocode prEN 1993‐1‐8, including the definition of minimum thread engagement lengths. BTH connected T‐stubs under tension were investigated in analytical parametric study to determine the influence of thread engagement length requirements on general applicability of BTH. FE models of BTH connected T‐stubs in tension were created and validated with experimental results. Analytical and FEM parametric studies were conducted in order to clearly investigate the difference between thread engagement length requirements, with the aim of possibly alleviating the minimum thread engagement requirements and enabling better applicability of BTH in structural steel joints.
Experimental investigation of influence parameters on cartridge fired pin resistance
Authors: Gluhović Nina , Dobrić Jelena , Spremić Milan , Marković Zlatko 
Published: September 2023

AbstractCartridge fired pins, also known as powder actuated fasteners, have a wide application in different construction industry fields, mostly for joints of cold‐formed structural elements and profiled steel sheeting, or for installation of shear connectors in composite steel‐concrete structures. Installation of cartridge fired pins is mostly governed by high energy introduction from installation device and mechanical fastener to the steel base material, without initial predrilling of holes. Therefore, large plastic deformations of base material are developed through installation procedure, together with various anchorage mechanisms between fastener and base material. This paper presents experimental investigation of most important influence parameters on behaviour and resistance of cartridge fired pins, such as adjusted installation power level on installation device and steel base material strength. Experimental investigation involved X‐ENP‐21 HVB cartridge fired pins through double‐sided shear tests, tension tests with fasteners installed over X‐HVB shear connector with two different steel grades (S275 and S355) and two installation power levels (2 and 3.5), and tension tests with fasteners installed over two thicknesses of profiled steel sheeting (0.8 mm and 1.0 mm). Cartridge fired pin resistances together with corresponding failure mechanisms were experimentally quantified and presented in this paper.
Investigations on the material behaviour of weld seams for the use in finite element analyses
Authors: Kuntsche Ina , Lange Jörg 
Published: September 2023

AbstractThe design of complex structural steel connections by finite element analysis is common practice nowadays. However, for welded joints there are no normative regulations for the static finite‐element‐analysis. To analyse the specific material behaviour in the weld area and derive a geometry and material model for the finite element analysis, tensile tests on specimens with different weld geometries are made at the Technical University of Darmstadt. During the tests an optical measuring method, called Digital Image Correlation, is used. It records the deformations on the surface of the specimen and assigns the recorded analogue test load to the images. By this way, the load‐deformation‐behaviour in all areas of the weld can be determined. In addition to the tensile tests, microsection examinations are carried out. The applied colour etching makes the microstructure of the weld zones visible so they can be geometrically superimposed with the strain images of the tensile tests. In welded connections the stress state is very complex. Therefore, numerical investigation must be performed to derive the final stress‐strain‐curves of the weld area. These curves can then be implemented as a material model for the finite element analysis of welded connections.
Stability behaviour of sinusoidal corrugated web girders under fire conditions
Authors: Kollár Dénes 
Published: September 2023

AbstractSinusoidal corrugated web girders, which are in the focus of the current paper, have been increasingly used in the past years in civil engineering applications due to economical design. Recently, a number of experiments dealing with the particular behaviour of this girder type have been carried out at room temperature, while the structural behaviour at elevated temperature has not been widely analysed and requires further investigation and clarification. The current paper deals with the improved geometrically and materially nonlinear analysis with imperfections (GMNIA) of sinusoidal corrugated web girders under fire conditions. The developed finite element model, which is validated based on previous measurements during fire tests found in the international literature, is capable of modelling the specialties, e.g., the so‐called ‘accordion effect’, of corrugated web girders. The applicability of design formulae is also illustrated in the paper while an extensive numerical parametric study is also carried out to demonstrate the impact of different parameters on the stability behaviour and failure mode of corrugated web girders at elevated temperature.
Buckling Check of Structures Being Lifted
Authors: de Macedo Luiz Francisco Scudelari , de Macedo Rafael Scudelari 
Published: September 2023

AbstractThe stability evaluation of structures being lifted by cranes poses a challenger for the analysts from the inherent hypostaticity that the problem presents. Usual buckling evaluation for standard structures supported by foundations are not possible and alternative modelling strategies are required. Two strategies can be defined for buckling evaluation: The Linearized Buckling Check and The Direct Analysis Method. This paper states the problem and describes both strategies along with the presentation of modelling good practices and a clear framework of codes and standards which bring light into aspects such as load factors; weight contingency; Center of Gravity imprecision, etc. A comparative study for the results obtained from both methods for a typical truss being lifted is presented.
Economic and environmental assessment of high‐strength steel grades
Authors: Saufnay Loris , Demonceau Jean‐François 
Published: September 2023

AbstractEnvironmental impact awareness in civil engineering is nowadays an important concern. The last message from the IPCC (Intergovernmental Panel on Climate Change) was clear: significant actions are mandatory and urgent to achieve the objective to limit global warming to 1.5°C. The building sector is one of the most polluting industrial sectors for which economically viable solutions must be found to cut the emissions. The development of new production technologies can contribute to this aim by creating innovative and more sustainable materials. Amongst the new materials that appear on the steel market, high strength steels are a nice example as they offer higher strength to weight ratio of structural steel elements, resulting in material savings, lighter foundations, easier transportation, and erection. These multiple advantages explain why the use of high strength steels could lead to both significant carbon emission and cost savings. However, the production of such steels uses more alloying elements and sometimes they require more production energy than for regular grades. The aim of this paper is to estimate the relative prices and relative carbon emissions of high strength steels to evaluate whether they constitute sustainable materials. This paper demonstrates that, in many cases, the increase of relative prices and carbon emissions as function of yield strength can be negligible by contrast to the weight savings induced by using high strength steels.
Experimental Investigation on Buckling Behavior of soil‐embedded Piles
Authors: Balscheit Hagen , Victor Albrecht , Thiele Marc , Cuellar Pablo , Baeßler Matthias , Lüddecke Falk 
Published: September 2023

AbstractMonopiles are currently the predominant foundation type for offshore wind turbines in Europe. Due to the increasing dimensions of the turbines, pile diameters beyond 10m become necessary. A design‐relevant failure mode of monopiles is the local buckling of the pile wall in the embedded sections. Relevant buckling guidelines do not consider the soil‐structure interaction specifically, although the embedment may allow for a reduction of wall thickness. However, Eurocode‐based design concepts require a validation with comparative buckling cases for validation, either in terms of buckling curve parameters for both the algebraic stress‐based and semi‐numerical LBA/MNA design concept or as a calibration factor kGMNIA for fully numerical GMNIA calculations. These parameters are not yet available for embedded shells. To close this gap, we have conducted experiments on piles embedded in sand to investigate local buckling under soil‐structure‐interaction. The results will be used to calibrate numerical models. This research was carried out as part of the VERBATIM research project, funded by PTJ/BMWK and supported by the Carbon Trust's Offshore Wind Accelerator consortium.