bluuebunny/crossref_metadata_2025_split huggingface dataset:
Diboraperylene Diborinic Acid Self‐Assembly on Ag(111)—Kagome Flat Band Localized States Imaged by Scanning Tunneling Microscopy and Spectroscopy
Authors: Pan Wun‐Chang , Mützel Carina , Haldar Soumyajyoti , Hohmann Hendrik , Heinze Stefan , Farrell Jeffrey M. , Thomale Ronny , Bode Matthias , Würthner Frank , Qi Jing 
Published: February 2024

AbstractReplacement of sp2‐hybridized carbon in polycyclic aromatic hydrocarbons (PAHs) by boron affords electron‐deficient π‐scaffolds due to the vacant pz‐orbital of three‐coordinate boron with the potential for pronounced electronic interactions with electron‐rich metal surfaces. Using a diboraperylene diborinic acid derivative as precursor and a controlled on‐surface non‐covalent synthesis approach, we report on a self‐assembled chiral supramolecular kagome network on an Ag(111) surface stabilized by intermolecular hydrogen‐bonding interactions at low temperature. Scanning tunneling microscopy (STM) and spectroscopy (STS) reveal a flat band at ca. 0.33 eV above the Fermi level which is localized at the molecule center, in good agreement with tight‐binding model calculations of flat bands characteristic for kagome lattices.
Elektrophile Aktivierung von S−Si‐Reagenzien mit Silyliumionen für deren regio‐ und diastereoselektive Addition an C−C‐Mehrfachbindungen
Authors: Zuo Honghua , Irran Elisabeth , Klare Hendrik F. T. , Oestreich Martin 
Published: February 2024

AbstractEs wird eine regioselektive silyliumionvermittelte Thiosilylierung von internen C−C‐Dreifachbindungen mit Kontrolle der Doppelbindungsgeometrie beschrieben. Im Zuge dieser Zweikomponentenreaktion eines Alkins und eines Thiosilans werden sowohl eine C(sp2)−S‐ als auch eine C(sp2)−Si‐Bindung mit einer trans‐Beziehung gebildet. Die hierdurch entstandene orthogonal funktionalisierte C−C‐Doppelbindung lässt sich chemoselektiv defunktionalisieren oder unter Erhalt der Alkenkonfiguration in Kreuzkupplungsreaktionen weiter umsetzen. Die Reaktionsvorschrift ist ebenfalls auf die regio‐ und diastereoselektive Thiosilylierung von terminalen Allenen anwendbar, was zu allylischen Thioethern, die eine Vinylsilaneinheit enthalten, führt. Diese Reaktionen beinhalten die elektrophile Aktivierung des S−Si‐Reagenzes, ein silyliertes Thiophenol und sogar Alkylthiolderivat, durch eine in situ erzeugte Carbokationzwischenstufe. Der Katalysecyclus wird durch ein bissilyliertes Aryl‐ oder Alkylsulfoniumion als ein Shuttle für das kationische Siliciumelektrophil aufrechterhalten. Dessen unabhängige Darstellung und strukturelle Charakterisierung durch Röntgenbeugung werden ebenfalls berichtet.
Data‐Driven Controlled Synthesis of Oriented Quasi‐Spherical CsPbBr3 Perovskite Materials
Authors: Liu Shaohui , Chen Zijian , Liu Yingming , Wu Lingjun , Wang Boyuan , Wang Zixuan , Wu Bobin , Zhang Xinyu , Zhang Jie , Chen Mengyun , Huang Hao , Ye Junzhi , Chu Paul K. , Yu Xue‐Feng , Polavarapu Lakshminarayana , Hoye Robert L. Z. , Gao Feng , Zhao Haitao 
Published: February 2024

AbstractControlled synthesis of lead‐halide perovskite crystals is challenging yet attractive because of the pivotal role played by the crystal structure and growth conditions in regulating their properties. This study introduces data‐driven strategies for the controlled synthesis of oriented quasi‐spherical CsPbBr3, alongside an investigation into the synthesis mechanism. High‐throughput rapid characterization of absorption spectra and color under ultraviolet illumination was conducted using 23 possible ligands for the synthesis of CsPbBr3 crystals. The links between the absorption spectra slope (difference in the absorbance at 400 nm and 450 nm divided by a wavelength interval of 50 nm) and crystal size were determined through statistical analysis of more than 100 related publications. Big data analysis and machine learning were employed to investigate a total of 688 absorption spectra and 652 color values, revealing correlations between synthesis parameters and properties. Ex situ characterization confirmed successful synthesis of oriented quasi‐spherical CsPbBr3 perovskites using polyvinylpyrrolidone and Acacia. Density functional theory calculations highlighted strong adsorption of Acacia on the (110) facet of CsPbBr3. Optical properties of the oriented quasi‐spherical perovskites prepared with these data‐driven strategies were significantly improved. This study demonstrates that data‐driven controlled synthesis facilitates morphology‐controlled perovskites with excellent optical properties.
Dialdehyde polyethylene glycol cross‐linked poly(vinyl alcohol) membranes with enhanced CO2/N2 separation performance
Authors: Chen Piao , Huang Jiamin , Dong Yuming , Zhu Yongfa , Dong Liangliang , Zhang Chunfang , Bai Yunxiang 
Published: February 2024

AbstractThe development of carbon dioxide (CO2) separation technology is crucial for mitigating global climate change and promoting sustainable development. In this study, we successfully synthesized an array of cross‐linked poly(vinyl alcohol) (PVA) membranes, xALD‐PEG‐ALD‐c‐PVA, with enhanced CO2/N2 separation performance by employing dialdehyde polyethylene glycol (ALD‐PEG‐ALD) as a cross‐linker. The formation of the cross‐linked network structure not only inhibits the crystallization of PVA but also disrupts hydrogen bonding and thus increases fractional free volume of PVA chains. Under the synergistic effect of these multiple factors, the cross‐linked PVA membranes exhibit a significantly improved CO2 permeability. Moreover, they maintain high CO2/N2 selectivity, attributing to the CO2‐philic characteristic of ethylene oxide groups in the cross‐linked structure. At the ALD‐PEG‐ALD content of 1.6 mmol g−1, the xALD‐PEG‐ALD‐c‐PVA membrane demonstrates a CO2 permeability of 41.4 barrer and a CO2/N2 selectivity of 57.4 at 2 bar and 25°C. Furthermore, compared with the pristine PVA membrane, xALD‐PEG‐ALD‐c‐PVA membranes manifest superior mechanical properties and outstanding separation performance for a CO2/N2 (15/85, vol%) gas mixture. The excellent combination of permeability and selectivity makes xALD‐PEG‐ALD‐c‐PVA membranes highly promising for various CO2 separation applications.
Minimum norm partial eigenstructure assignment approach for vibration system with time delay
Authors: Yu Peizhao , Xin Haoming , Zhao Fuheng 
Published: February 2024

AbstractIn this paper, the minimum norm partial eigenstructure assignment problems (PESAPs) in vibration system with time delay is studied via acceleration‐velocity‐displacement active control. A new explicit solution is given for solving PESAPs using orthogonality relations of symmetric vibration system. A new constructive technique is presented to solve the PESAPs in vibration system with time delay by singular value decomposition method. An optimization algorithm is proposed to solve the minimum norm PESAPs by a quasi‐Newton optimization method. The proposed algorithm works without using the knowledge of receptance matrices and without solving the Sylvester equation. The effectiveness of the proposed algorithm is verified by the results of two numerical examples.
Fatigue and long duration of infection are associated with worsen motor and non‐motor symptoms in Parkinson's disease following Omicron COVID‐19 pandemic
Authors: Xian Wenbiao , Lin Lishan , Wu Wanling , Su Fengjuan , Pei Zhong 
Published: February 2024

AbstractBackgroundCoronavirus disease 2019 (COVID‐19) may influence the clinical course and symptoms of chronic neurological diseases, such as Parkinson's disease (PD), which can persist even after recovery from the infection. This longitudinal study aimed at exploring the impact of the COVID‐19 on motor and non‐motor symptoms and the related risk factors for exacerbation of PD symptoms.MethodsOne hundred and two PD patients underwent a first assessment between September 2022 and November 2022 (T0) before Omicron COVID‐19 pandemic. They were then contacted again and asked to complete the second assessment between December 2022 and February 2023 (T1) following Omicron infection. Movement Disorders Society Unified PD Rating Scale Part III, Non‐Motor Symptoms Scale, Fatigue Severity Scale (FSS), and quality of life were investigated.ResultsNinety‐five PD patients (93.1%) with COVID‐19 for the first time were mild cases. However, 55 patients (55.9%) experienced worsening motor symptoms of PD after recovering from the infectious symptoms. Preinfection FSS score (odds ratios [OR] 2.062, 95% confidence interval [CI] 1.081–3.933, p = .028) and duration of infection (OR 1.232, 95% CI 1.024–1.481, p = .027) were independent risk factors for the worsening of motor symptoms. PD patients with post‐COVID‐19 fatigue were more likely to experience worsened non‐motor symptoms, resulting in an impaired quality of life.ConclusionThis study confirms the impact of the Omicron COVID‐19 pandemic on the motor and non‐motor symptoms of PD, suggesting that management of related factors, including fatigue and duration of infection, may be beneficial in preventing or dealing with the exacerbation of PD symptoms after infection.
Gene copy number, gene configuration and LC/HC mRNA ratio impact on antibody productivity and product quality in targeted integration CHO cell lines
Authors: Lee Zion , Wan Jun , Shen Amy , Barnard Gavin 
Published: February 2024

AbstractThe augmentation of transgene copy numbers is a prevalent approach presumed to enhance transcriptional activity and product yield. CHO cell lines engineered via targeted integration (TI) offer an advantageous platform for investigating the interplay between gene copy number, mRNA abundance, product yield, and product quality. Our investigation revealed that incrementally elevating the gene copy numbers of both IgG heavy chain (HC) and light chain (LC) concurrently resulted in the attainment of plateaus in mRNA levels and product titers, notably occurring beyond four to five gene copies integrated at the same TI site. Furthermore, maintaining a fixed gene copy number while varying the position of genes within the vector influenced the LC/HC mRNA ratio, which subsequently exerted a substantial impact on product titer. Moreover, manipulation of the LC/HC gene ratio through the introduction of surplus LC gene copies led to heightened LC mRNA expression and a reduction in the levels of high molecular weight species. It is noteworthy that the effects of excess LC on product titer were dependent on the specific molecule under consideration. The strategic utilization of PCR tags enabled precise quantification of transcription from each expression slot within the vector, facilitating the identification of highly expressive and less expressive slots. Collectively, these findings significantly enhance our understanding of stable antibody production in TI CHO cell lines.
Investigating the Promising Anticancer Activity of Cetuximab and Fenbendazole Combination as Dual CBS and VEGFR‐2 Inhibitors and Endowed with Apoptotic Potential
Authors: Eid Norhan M. , Al‐Karmalawy Ahmed A. , Eldebss Taha M. A. , Elhakim Heba K. A. 
Published: February 2024

AbstractIn this work, the cytotoxicity of monoclonal antibody (Cetuximab, Ce) and Fenbendazole (Fen), as well as their combination therapy were tested with the MTT assay. On the other side, Ce, Fen, and a combination between them were subjected to a colchicine–tubulin binding test, which was conducted and compared to Colchicine as a reference standard. Besides, Ce, Fen, and the combination of them were tested against the VEGFR‐2 target receptor, compared to Sorafenib as the standard medication. Moreover, the qRT‐PCR technique was used to investigate the levels of apoptotic genes (p53 and Bax) and anti‐apoptotic gene (Bcl‐2) as well. Also, the effect of Ce, Fen, and the combination of them on the level of ROS was studied. Furthermore, the cell cycle analysis and Annexin V apoptosis assay were carried out for Ce, Fen, and a combination of them. In addition, the molecular docking studies were used to describe the molecular levels of interactions for both (Fen and colchicine) or (Fen and sorafenib) within the binding pockets of the colchicine binding site (CBS) and vascular endothelial growth factor‐2 receptor (VEGFR‐2), respectively.
Pd‐Doped In2O3 for CO2 Electroreduction to Ethanol through CO Binding Regulation
Authors: Liu Zhihui , Liu Hai , Li Minglu , Meng Yichen , Wang Xiao , Yan Tianxiang , Fan Qun , Lou Shi Nee , Cui Wenquan , Zhang Sheng 
Published: February 2024

AbstractRenewable energy driven electrochemical carbon dioxide reduction (CO2RR) to alcohols provides an effective pathway for achieving carbon neutrality and sustainable development. However, it is challenging to convert CO2 into ethanol due to the sluggish C−C coupling and complex 12 electron/proton transferred process, which has been achieved mainly on Cu catalysts but with poor selectivity. Herein, In2O3 catalysts were doped with small amount of Pd and exhibited high activity for CO2RR to ethanol with a high Faradaic efficiency (50.7 %) at low overpotential. The introduction of Pd promotes the transformation of reaction products from formic acid to ethanol by modulating the binding strength of *CO intermediates. The in‐situ ATR‐SEIRAS and DFT calculations proved that the formation of Pd−O−In could modulate the binding strength of *CO and enhanced its coverage, thus facilitating C−C coupling step towards ethanol. This study may provide a new strategy to the generation of high value‐added products from CO2 over Non‐Cu‐based catalysts.
Layered Transition Metal Sulfides for Supercapacitor Applications
Authors: Öztürk Ozan , Gür Emre 
Published: February 2024

AbstractSupercapacitor (SC) devices holds an important position between traditional capacitors and ion batteries in terms of energy density and power density values. In particular, SC′s greater power density values than Li‐ion batteries make them useful for some specific applications, such as storing energy in hybrid cars while the car slows down. Increasing energy density values is one of the key challenges for the SC community. Transition metal dichalcogenides (TMDCs), are one of the new developing important material systems to have this potential, compared to their counterparts’ transition metal oxides and conductive polymers. This review is about giving insight into the electrochemical performances of two‐dimensional (2D) layered transition metal sulfides (TMS) such as MoS2, WS2, TaS2, NbS2, VS2, TiS2 and ZrS2 materials. On the other hand, the methods mostly used in synthesizing these materials are presented.
Computational Study Into the Oxidative Ring‐Closure Mechanism During the Biosynthesis of Deoxypodophyllotoxin
Authors: Hardy Fintan G. , Wong Henrik P. H. , de Visser Sam P. 
Published: February 2024

AbstractThe nonheme iron dioxygenase deoxypodophyllotoxin synthase performs an oxidative ring‐closure reaction as part of natural product synthesis in plants. How the enzyme enables the oxidative ring‐closure reaction of (−)‐yatein and avoids substrate hydroxylation remains unknown. To gain insight into the reaction mechanism and understand the details of the pathways leading to products and by‐products we performed a comprehensive computational study. The work shows that substrate is bound tightly into the substrate binding pocket with the C7’−H bond closest to the iron(IV)‐oxo species. The reaction proceeds through a radical mechanism starting with hydrogen atom abstraction from the C7’−H position followed by ring‐closure and a final hydrogen transfer to form iron(II)‐water and deoxypodophyllotoxin. Alternative mechanisms including substrate hydroxylation and an electron transfer pathway were explored but found to be higher in energy. The mechanism is guided by electrostatic perturbations of charged residues in the second‐coordination sphere that prevent alternative pathways.
Ist der Zug schon abgefahren?
Authors: Gandert Etwina 
Published: February 2024

AbstractDas Streichen von 155 Mio. EUR Fördermittel für die Batterieforschung, die das Bundesforschungsministerium (BMBF) kürzlich offiziell bestätigte, sendet ein fatales Signal in die Batteriebranche. Nach einem intensiven Wettlauf haben sich in Deutschland einige Leuchttürme eine beachtliche Position in der weltweiten Batterieforschung erarbeitet. Dieser technologische Vorsprung ist eine Säule, um im globalen industriellen Wettbewerb um die Batterieproduktion weiter aufzuholen. Denn Was uns derzeit fehlt, ist die Erfahrung mit der Massenproduktion ‐ es ist die zentrale Aufgabe der kommenden Jahre, durch die ausgezeichnete Forschungslandschaft und Fachkräfteausbildung auch hierin industrielle Maßstäbe zu setzen, wie Prof. Arno Kwade im CITplus‐Interview (S. 16) unterstreicht.
Vollständige Charakterisierung der Batteriematerialien
Authors: Chalou Anthony 
Published: February 2024

AbstractDas 1922 in Graz (österreich) gegründete Unternehmen Anton Paar ist Weltmarktführer in der Messung von Dichte & Konzentration, der Bestimmung von gelöstem Kohlendioxid sowie in den Bereichen Rheometrie und Viskosimetrie. Zum Kundenkreis gehören große Bier‐ und Softdrinkhersteller weltweit, Unternehmen aus der Lebensmittel‐, Chemie‐, Erdöl‐ und Pharmaindustrie sowie führende akademische Gruppen. Die Anton Paar Gruppe ist in mehr als 110 Ländern tätig und verfügt über 37 Vertriebsgesellschaften und neun Produktionsbetriebe in Europa und den USA. Mehr als 4.200 Mitarbeitende sind in einem weltweiten Netzwerk, das Forschung & Entwicklung, Produktion, Vertrieb und Support umfasst, für die Qualität, die Zuverlässigkeit und den Service der Produkte verantwortlich. Seit 2003 ist die gemeinnützige Santner Privatstiftung Eigentümerin von Anton Paar. Sie ist ausschließlich und unmittelbar gemeinnützigen Zwecken gewidmet.
Ein neues Energiespeicherprinzip für Elektrizität und Wasserstoff
Authors: Hahn Robert , Schamel Andreas 
Published: February 2024

AbstractGrüner Wasserstoff soll als Energiespeicher in zukünftigen erneuerbaren Energiesystemen eingesetzt werden. Erfolgsbestimmende Faktoren sind hierfür der Wirkungsgrad und die Kosten. Eine elektrochemische Zelle, die elektrische Energie in Form von abgeschiedenem Zink speichert und bei Bedarf Energie in Form von Wasserstoff und Strom freisetzt kann
Effizienzsteigerung für Rotating Equipment
Authors: Döring Marco 
Published: February 2024

AbstractDie Prozessindustrie setzt auf Innovation, Effizienz, Nachhaltigkeit und Anpassungsfähigkeit, unterstützt durch Technologien wie künstliche Intelligenz, maschinelles Lernen und fortschrittliche Analysetools, um die Prozesse nachhaltiger zu gestalten. Mit einer Analysesoftware lassen sich die wirtschaftliche Rentabilität von Rotating Equipment bewerten und Energieeinsparungen erzielen.
Druckluft und Wärme statt Strom und Wärme erzeugen
Authors: Schlüter Christian 
Published: February 2024

AbstractIn einem Gasmotor‐Kompressormodul (GK‐Modul) werden die Hauptkomponenten eines Blockheizkraftwerkes (BHKW) mit einem Schrauben‐Kompressor gekoppelt. Dabei wird anstatt eines Stromgenerators die Verdichterstufe des Kompressors direkt an den Gasmotor angebunden. Mit den neuen Gasmotor‐Kompressormodulen sind 90 % der eingesetzten Energie in Form von Wärme nutzbar und Druckluft steht ebenfalls zur Verfügung
Hole‐Transporting Materials with Rational Combination of Pyridine and Dibenzo[a,c]phenazine as Electron Acceptor for Dopant‐Free Perovskite Solar Cells†
Authors: Ling Weidong , Wu Fei , Yuan Wentao , Zhu Linna , Li Qianqian , Li Zhen 
Published: February 2024

Comprehensive SummaryPerovskite solar cells (PSCs) have been proven to be a promising option for photovoltaic conversion. With the aim to achieve efficient and stable PSCs, it is essential to explore dopant‐free hole‐transporting materials (HTMs) with high hole mobility. Herein, HTMs bearing electron donor (D)‐electron acceptor (A)‐electron donor (D) structures have been constructed with strong intramolecular charge transfer (ICT) effect, based on rational combination of dibenzo[a,c]phenazine and pyridine as electronic acceptors and anchoring groups to perovskite layer. Accordingly, high hole mobility (7.31 × 10–5 cm2·V–1·s–1) and photoelectric conversion efficiency (20.45%) have been achieved by dopant‐free DPyP‐based PSC. It afforded an efficient way to design HTMs with high hole mobility by adjustment of molecular configurations and electronic property of conjugated systems.
Pets, furry animal allergen components, and asthma in childhood
Authors: Lajunen Katariina , Määttä Anette M. , Malmström Kristiina , Kalliola Satu , Knihtilä Hanna , Savinko Terhi , Malmberg L. Pekka , Pelkonen Anna S. , Mäkelä Mika J. 
Published: February 2024

AbstractBackgroundThe use of component‐resolved allergy diagnostics has provided a clearer understanding of the species‐specific sensitization and severity of potential allergic reactions. This cross‐sectional study aimed to determine whether sensitization to allergen components in furry animals is indicative of blood eosinophilia, a positive fractional exhaled nitric oxide (FeNO) test, abnormal lung function, and asthma symptoms in children. Additionally, we investigated whether having pets during childhood affects the development of asthma or allergic sensitization to furry animals.MethodsWe recruited 203 children aged 4–17 years with asthma diagnosis based on abnormal lung function and 33 controls. IgE‐sensitization to allergen components for dogs, cats, and horses was analyzed using a multiplex microarray. Children were tested with FeNO, impulse oscillometry, spirometry, methacholine challenge, and skin prick test. A questionnaire was used to investigate pet ownership and symptom profile.ResultsFeNO results and blood eosinophilia revealed a correlation with sensitization to all furry animal allergens, particularly lipocalins (r = 0.203–0.560 and 0.206–0.560, respectively). Can f 3 was found to correlate with baseline R5 (r = 0.298). No association between methacholine challenge results and sensitization to furry animal allergens was found. Children with asthma who were sensitized to Can f 1, Can f 6, or both frequently reported asthma symptoms. Dog ownership was associated with a lower level of IgE‐sensitization to lipocalins, fewer asthma symptoms, and less blood eosinophilia.ConclusionFurry animal allergen component IgE‐sensitization is a risk factor for type 2‐inflammation and asthma symptoms.
Cell block practices in European cytopathology laboratories
Authors: Srebotnik Kirbis Irena , Kholova Ivana , Huhtala Heini , Bongiovanni Massimo , Strojan Flezar Margareta , Hodgson Chantell , Cochand‐Priollet Beatrix 
Published: February 2024

AbstractBackgroundThere are numerous methods and procedures described for the preparation of cell blocks (CBs) from cytological samples. The objective of this study was to determine current practices and issues with CBs in European laboratories.MethodsA link to an online survey, with 11 questions about CB practices, was distributed to cytology laboratories via participants of United Kingdom National External Quality Assurance Service for Cellular Pathology Techniques and national representatives in the European Federation of Cytology Societies.ResultsA total of 402 laboratories responded completely (337/402, 84%) or partially (65/402, 16%) to the survey by February 4, 2022. The most common CB practice is embedding cell pellets using plasma and thrombin (23.3%), agar (17.1%), Shandon/Epredia Cytoblock (11.4%), HistoGel (7.9%), and Cellient (3.5%). Other methods such as CytoFoam, albumin, gelatin, Cytomatrix, and collodion bags are rarely used (1.0%, 0.7%, 0.7%, 0.3%, and 0.2%, respectively). CBs are also prepared from naturally occurring clots or tissue fragments (29.5%) and cells scraped from unstained or prestained smears (4.4%). The most frequent issues with the CBs in a daily cytology practice are low cellularity (248/402, 62%) and dispersed cells (89/402, 22%), regardless of the CBs preparation method or how the samples for embedding were selected.ConclusionsThere is a great variability in CB practices in European laboratories with low cellular CBs as the main issue. Additional studies are mandatory to evaluate and improve performance and cellular yield of CBs.