bluuebunny/crossref_metadata_2025_split huggingface dataset:
Low‐Valent MxAl3Cluster Salts with Tetrahedral [SiAl3]+and Trigonal‐Bipyramidal [M2Al3]2+Cores (M=Si/Ge)
Authors: Dabringhaus Philipp , Zedlitz Silja , Giarrana Luisa , Scheschkewitz David , Krossing Ingo 
Published: December 2022

AbstractSchnöckel's [(AlCp*)4] and Jutzi's [SiCp*][B(C6F5)4] (Cp*=C5Me5) are landmarks in modern main‐group chemistry with diverse applications in synthesis and catalysis. Despite the isoelectronic relationship between the AlCp* and the [SiCp*]+fragments, their mutual reactivity is hitherto unknown. Here, we report on their reaction giving the complex salts [Cp*Si(AlCp*)3][WCA] ([WCA]−=[Al(ORF)4]−and [F{Al(ORF)3}2]−; RF=C(CF3)3). The tetrahedral [SiAl3]+core not only represents a rare example of a low‐valent silicon‐doped aluminium‐cluster, but also—due to its facile accessibility and high stability—provides a convenient preparative entry towards low‐valent Si−Al clusters in general. For example, an elusive binuclear [Si2(AlCp*)5]2+with extremely short Al−Si bonds and a high negative partial charge at the Si atoms was structurally characterised and its bonding situation analysed by DFT. Crystals of the isostructural [Ge2(AlCp*)5]2+dication were also obtained and represent the first mixed Al−Ge cluster.
Co‐Dissolved Isostructural Polyoxovanadates to Construct Single‐Atom‐Site Catalysts for Efficient CO2Photoreduction
Authors: Wang Yu‐Jie , Zhuang Gui‐Lin , Zhang Jiang‐Wei , Luo Fang , Cheng Xin , Sun Fu‐Li , Fu Shan‐Shan , Lu Tong‐Bu , Zhang Zhi‐Ming 
Published: December 2022

AbstractWe explored a co‐dissolved strategy to embed mono‐dispersed Pt center into V2O5support via dissolving [PtV9O28]7−into [V10O28]6−aqueous solution. The uniform dispersion of [PtV9O28]7−in [V10O28]6−solution allows [PtV9O28]7−to be surrounded by [V10O28]6−clusters via a freeze‐drying process. The V centers in both [PtV9O28]7−and [V10O28]6−were converted into V2O5via a calcination process to stabilize Pt center. These double separations can effectively prevent the Pt center agglomeration during the high‐temperature conversion process, and achieve 100 % utilization of Pt in [PtV9O28]7−. The resulting Pt‐V2O5single‐atom‐site catalysts exhibit a CH4yield of 247.6 μmol g−1 h−1, 25 times higher than that of Pt nanoparticle on the V2O5support, which was accompanied by the lactic acid photooxidation to form pyruvic acid. Systematical investigations on this unambiguous structure demonstrate an important role of Pt−O atomic pair synergy for highly efficient CO2photoreduction.
In situ Detection of Cobaloxime Intermediates During Photocatalysis Using Hollow‐Core Photonic Crystal Fiber Microreactors
Authors: Lawson Takashi , Gentleman Alexander S. , Pinnell Jonathan , Eisenschmidt Annika , Antón‐García Daniel , Frosz Michael H. , Reisner Erwin , Euser Tijmen G. 
Published: December 2022

AbstractHollow‐core photonic crystal fibers (HC‐PCFs) provide a novel approach for in situ UV/Vis spectroscopy with enhanced detection sensitivity. Here, we demonstrate that longer optical path lengths than afforded by conventional cuvette‐based UV/Vis spectroscopy can be used to detect and identify the CoI and CoII states in hydrogen‐evolving cobaloxime catalysts, with spectral identification aided by comparison with DFT‐simulated spectra. Our findings show that there are two types of signals observed for these molecular catalysts; a transient signal and a steady‐state signal, with the former being assigned to the CoI state and the latter being assigned to the CoII state. These observations lend support to a unimolecular pathway, rather than a bimolecular pathway, for hydrogen evolution. This study highlights the utility of fiber‐based microreactors for understanding these and a much wider range of homogeneous photocatalytic systems in the future.
Ligand Dilution Analysis Facilitates Aptamer Binding Characterization at the Single‐Molecule Level
Authors: Du Yulin , Lyu Yifan , Li Shiquan , Ding Ding , Chen Jianghuai , Yang Cai , Sun Yang , Qu Fengli , Xiao Zeyu , Jiang Jianhui , Tan Weihong 
Published: December 2022

AbstractCell‐specific aptamers offer a powerful tool to study membrane receptors at the single‐molecule level. Most target receptors of aptamers are highly expressed on the cell surface, but difficult to analyze in situ because of dense distribution and fast velocity. Therefore, we herein propose a random sampling‐based analysis strategy termed ligand dilution analysis (LDA) for easily implemented aptamer‐based receptor study. Receptor density on the cell surface can be calculated based on a regression model. By using a synergistic ligand dilution design, colocalization and differentiation of aptamer and monoclonal antibody (mAb) binding on a single receptor can be realized. Once this is accomplished, precise binding site and detailed aptamer‐receptor binding mode can be further determined using molecular docking and molecular dynamics simulation. The ligand dilution strategy also sets the stage for an aptamer‐based dynamics analysis of two‐ and three‐dimensional motion and fluctuation of highly expressed receptors on the live cell membrane.
Nanostructured Heterogeneous Catalysts for Bioorthogonal Reactions
Authors: Sousa‐Castillo Ana , Mariño‐López Andrea , Puértolas Begoña , Correa‐Duarte Miguel A. 
Published: December 2022

AbstractBioorthogonal chemistry has inspired a new subarea of chemistry providing a powerful tool to perform novel biocompatible chemospecific reactions in living systems. Following the premise that they do not interfere with biological functions, bioorthogonal reactions are increasingly applied in biomedical research, particularly with respect to genetic encoding systems, fluorogenic reactions for bioimaging, and cancer therapy. This Minireview compiles recent advances in the use of heterogeneous catalysts for bioorthogonal reactions. The synthetic strategies of Pd‐, Au‐, and Cu‐based materials, their applicability in the activation of caged fluorophores and prodrugs, and the possibilities of using external stimuli to release therapeutic substances at a specific location in a diseased tissue are discussed. Finally, we highlight frontiers in the field, identifying challenges, and propose directions for future development in this emerging field.
Electronic Perturbation of Copper Single‐Atom CO2Reduction Catalysts in a Molecular Way
Authors: Zou Haiyuan , Zhao Gang , Dai Hao , Dong Hongliang , Luo Wen , Wang Lei , Lu Zhouguang , Luo Yi , Zhang Guozhen , Duan Lele 
Published: December 2022

AbstractFine‐tuning electronic structures of single‐atom catalysts (SACs) plays a crucial role in harnessing their catalytic activities, yet challenges remain at a molecular scale in a controlled fashion. By tailoring the structure of graphdiyne (GDY) with electron‐withdrawing/‐donating groups, we show herein the electronic perturbation of Cu single‐atom CO2reduction catalysts in a molecular way. The elaborately introduced functional groups (−F, −H and −OMe) can regulate the valance state of Cuδ+, which is found to be directly scaled with the selectivity of the electrochemical CO2‐to‐CH4conversion. An optimum CH4Faradaic efficiency of 72.3 % was achieved over the Cu SAC on the F‐substituted GDY. In situ spectroscopic studies and theoretical calculations revealed that the positive Cuδ+centers adjusted by the electron‐withdrawing group decrease the pKaof adsorbed H2O, promoting the hydrogenation of intermediates toward the CH4production. Our strategy paves the way for precise electronic perturbation of SACs toward efficient electrocatalysis.
Boosting the Activity of Pd Single Atoms by Tuning Their Local Environment on Ceria for Methane Combustion
Authors: Yang Weiwei , Polo‐Garzon Felipe , Zhou Hua , Huang Zhennan , Chi Miaofang , Meyer Harry , Yu Xinbin , Li Yuanyuan , Wu Zili 
Published: December 2022

AbstractSupported Pd single atom catalysts (SACs) have triggered great research interest in methane combustion yet with contradicting views on their activity and stability. Here, we show that the Pd SAs can take different electronic structure and atomic geometry on ceria support, resulting in different catalytic properties. By a simple thermal pretreatment to ceria prior to Pd deposition, a unique anchoring site is created. The Pd SA, taking this site, can be activated to Pdδ+ (0<δ<2) that has greatly enhanced activity for methane oxidation: T50 lowered by up to 130 °C and almost 10 times higher turnover frequency compared to the untreated catalyst. The enhanced activity of Pdδ+ site is related to its oxygen‐deficient local structure and elongated interacting distance with ceria, leading to enhanced capability in delivering reactive oxygen species and decomposing reaction intermediates. This work provides insights into designing highly efficient Pd SACs for oxidation reactions.
Polystyrene waste‐modified epoxy/nanoclay and hybrid composite coatings
Authors: Özmeral Nimet , Kocaman Suheyla , Soydal Ulku , Ahmetli Gulnare 
Published: December 2022

AbstractIn this study, phenolic novolac‐type epoxy (EPN) resin was modified with 4 wt% thermoplastic polystyrene (PS) waste and was used as the polymer matrix for the first time. Two types of composites were prepared: (i) nanocomposites with 1–3 wt% nanoclay (NC) and (ii) hybrid composites. Pristine (NC) and tetramethylammonium chloride modified nanoclays (MNC) were used at a 2 wt% ratio in hybrid composites with 25–35 wt% red mud waste (RMW). The corrosion protection properties of the coatings were determined by immersion test in 5 wt% NaOH, HCl, and NaCl solutions. The water sorption of hybrid composites varied between 1%–3.6% and 1%–5.3%, while it was between 0.82% and 1.02% in EPN‐PS/NC nanocomposites. The weight gain percentage values of hybrid composites in corrosive media for the base and salt solutions were determined much lower (0.59%–0.75% and 0.46%–0.59%, respectively) than water sorption. Surface morphologies of hybrid composites were examined by scanning electron microscopy before and after corrosion tests. MNC‐30 wt% RMW hybrid composite was found more suitable due to high corrosion resistance in basic and salty environments, storage modulus, loss modulus, and glass transition temperature (Tg) values (90.6°C) as compared with NC‐30 wt% RMW hybrid composite.
An enriched mixture model for functional clustering
Authors: Rigon Tommaso 
Published: December 2022

AbstractThere is an increasingly rich literature about Bayesian nonparametric models for clustering functional observations. Most recent proposals rely on infinite‐dimensional characterizations that might lead to overly complex cluster solutions. In addition, while prior knowledge about the functional shapes is typically available, its practical exploitation might be a difficult modeling task. Motivated by an application in e‐commerce, we propose a novel enriched Dirichlet mixture model for functional data. Our proposal accommodates the incorporation of functional constraints while bounding the model complexity. We characterize the prior process through a urn scheme to clarify the underlying partition mechanism. These features lead to a very interpretable clustering method compared to available techniques. Moreover, we employ a variational Bayes approximation for tractable posterior inference to overcome computational bottlenecks.
Autism‐related language preferences of English‐speaking individuals across the globe: A mixed methods investigation
Authors: Keating Connor Tom , Hickman Lydia , Leung Joan , Monk Ruth , Montgomery Alicia , Heath Hannah , Sowden Sophie 
Published: December 2022

AbstractOver the past two decades, there have been increasing discussions around which terms should be used to talk about autism. Whilst these discussions have largely revolved around the suitability of identity‐first language and person‐first language, more recently this debate has broadened to encompass other autism‐related terminology (e.g., ‘high‐functioning’). To date, academic studies have not investigated the language preferences of autistic individuals outside of the United Kingdom or Australia, nor have they compared levels of endorsement across countries. Hence, the current study adopted a mixed‐methods approach, employing both quantitative and qualitative techniques, to explore the linguistic preferences of 654 English‐speaking autistic adults across the globe. Despite variation in levels of endorsement between countries, we found that the most popular terms were similar—the terms ‘Autism’, ‘Autistic person’, ‘Is autistic’, ‘Neurological/Brain Difference’, ‘Differences’, ‘Challenges’, ‘Difficulties’, ‘Neurotypical people’, and ‘Neurotypicals’ were consistently favored across countries. Despite relative consensus across groups, both our quantitative and qualitative data demonstrate that there is no universally accepted way to talk about autism. Our thematic analysis revealed the reasons underlying participants’ preferences, generating six core themes, and illuminated an important guiding principle—to respect personal preferences. These findings have significant implications for informing practice, research and language policy worldwide.
A Climate Action Plan for the California Department of Water Resources
Authors: Arnold Wyatt , Spanos Katherine A. , Schwarz Andrew , Doan Chi , Deaver Katerina , Akens Mary U. , Maendly Romain , Selmon Michelle , Ekstrom Julia , Coombe Peter , Andrew John 
Published: December 2022

Key TakeawaysGreenhouse gas mitigation and adaptation to climate change vulnerabilities should be incorporated into existing utility business and project management processes.A comprehensive climate action plan can meet and exceed legal requirements, reduce risk, achieve business process efficiencies, apply best available science, and demonstrate social responsibility.Focused internal workgroups, expert consultation, inspired management, feedback loops, breadth of application, and quantitative detail are critical to success.
Internet of Construction: Potenziale von LoRaWAN für die Qualitätssicherung im Ortbetonprozess
Authors: Wildemann Peter R. , Brell‐Cokcan Sigrid 
Published: December 2022

AbstractUm bei der Verwendung von Ortbeton die hohen Qualitätssicherungsstandards zu erfüllen, ist bisweilen ein großer manueller Dokumentationsaufwand erforderlich. Insbesondere der Einbau bedarf großer Aufmerksamkeit, da die Verwendung des richtigen Betons im vorgesehenen Bauteil sichergestellt werden muss und Fehler einen zeitlichen und kostenmäßigen Mehraufwand bedeuten. In anderen Branchen ist zu beobachten, dass zur Unterstützung der Ausführungsprozesse sowie bei der Dokumentation bereits häufig Internet‐of‐Things (IoT)‐Systeme gewinnbringend eingesetzt werden. Trotz zahlreicher zur Verfügung stehender digitaler Lösungen ist der Einsatz von IoT‐Technologien für ebendiese Monitoringaufgaben auf der Baustelle jedoch nur selten zu beobachten. Dabei haben die Technologien das Potenzial, die Maßnahmen zur Qualitätssicherung zu vereinfachen und das Bauen attraktiver zu machen. Dieser Aufsatz behandelt den Prozessschritt des Betoneinbaus innerhalb der Wertschöpfungskette im Ortbetonbau, der bislang überwiegend manuell abläuft, ein hohes Fehlerrisiko birgt und sehr dokumentationsaufwendig ist. Es wird ein auf Long Range Wide Area Networt (LoRaWAN) basierendes IoT‐System konzipiert, das den Menschen bei der Dokumentation der Betonagen unterstützt. Anschließend wird das System auf einer Baustelle einem Praxistest unterzogen. Es erfolgt der Abgleich der Ergebnisse mit den prozessbezogenen Anforderungen, wobei sich zeigt, dass bereits mit dem präsentierten Setup einige wichtige Anforderungen zufriedenstellend erfüllt werden.
DEPDC1as a crucial factor in the progression of human osteosarcoma
Authors: Shen Lin , Li Han , Liu Ronghan , Zhou Chendan , Bretches Morgan , Gong Xuan , Lu Laitong , Zhang Ying , Zhao Kai , Ning Bin , Yang Shang‐You , Zhang Aijun 
Published: December 2022

AbstractObjectiveNovel therapeutic strategies are emerging with the increased understanding of the underlying mechanisms of human osteosarcoma. This current study tends to decipher the potentially critical role of DEP domain‐containing 1 (DEPDC1), a tumor‐related gene, during the progression of osteosarcoma.MethodsBioinformatics analysis of 25,035 genes from the National Center for Biotechnology Information (NCBI) databases was performed to screen differentially expressed genes between osteosarcoma and normal control groups, complemented by the examination of 85 clinical osteosarcoma specimens. Furthermore, the manipulation ofDEPDC1expression levels by using silencing RNA (siRNA) or lentiviral vector intervention on human osteosarcoma cells was performed to reveal its role and interactions in in vitro and in vivo settings.ResultsGene expression profile analysis and immunohistochemical (IHC) examination suggested thatDEPDC1is highly expressed in human osteosarcoma cells and tumor tissue. The silencing ofDEPDC1arrested osteosarcoma cell proliferation, promoted apoptosis, and ceased tumor metastasis. Studies involving clinical human osteosarcoma cases exhibited a strong correlation ofDEPDC1over‐expressed osteosarcoma specimens with a reduced patient survival rate.ConclusionsCollectively, this study demonstrated thatDEPDC1is a critical driver in the promotion of osteosarcoma progression and results in poor patient prognosis. Genetically targeting or pharmacologically inhibitingDEPDC1may serve as a promising strategy for treating human osteosarcoma.
Neoadjuvant chemotherapy and radiotherapy outcomes in borderline‐resectable and locally‐advanced pancreatic cancer patients
Authors: Botta Gregory P. , Huynh Tridu R. , Spierling‐Bagsic Samantha R. , Agelidis Alexander , Schaffer Randolph , Lin Ray , Sigal Darren 
Published: December 2022

AbstractBackgroundThere is no agreed upon standard of care for borderline‐resectable pancreatic cancer (BRPC) or locally‐advanced pancreatic cancer (LAPC) patients regarding the benefit of chemotherapy or radiation alone or in combination.Patients and MethodsWe completed a retrospective cohort analysis of BRPC and LAPC patients at a cancer center with expertise in multi‐disciplinary pancreatic ductal adenocarcinoma (PDAC) treatment over a 5‐year period from 03/01/2014 to 03/01/2019 (cut‐off date). The total evaluable newly diagnosed, treatment naïve, BRPC, and LAPC patients with adequate organ function and ability to obtain treatment after multidisciplinary review was 52 patients. After analysis, patients were evaluated for rates of resection, extent of resection (R0 or R1), median progression‐free survival (mPFS), and median overall survival (mOS).ResultsPatients were treated with chemotherapy alone (gemcitabine and nab‐paclitaxel = 77% (20/26); FOLFIRINOX = 19% (5/26); single agent gemcitabine 3.8% (1/26)), or chemotherapy followed by chemoradiation (gemcitabine +5 Gy × 5 weeks), or chemoradiation alone prior to re‐staging and potential resection. Of the 29% (15/52) of patients who went on to surgical resection, 73% (11/15) achieved R0 resection. An R0 resection was achieved in 35% (9/26) of patients treated with chemotherapy alone, 7.6% (1/13) in a patient treated with chemotherapy followed by radiation, and 7.6% (1/13) with concurrent chemoradiotherapy alone. Chemotherapy alone achieved a mPFS of 16.4 months (p  < 0.0025) and mOS of 26.2 months (p  < 0.0001), chemotherapy followed by chemoradiation was 13.0 months and 14.9 months respectively, while concurrent chemoradiotherapy was 6.9 months and 7.3 months.Conclusions and RelevanceBRPC and LAPC patients capable of surgery after only receiving neoadjuvant treatment with chemotherapy had higher rates of R0 resection with prolonged median PFS and OS compared with any patient needing combination chemotherapy with radiotherapy.
Application of Date Palm Surface Fiber as an Efficient Biosorbent for Wastewater Treatment
Authors: Al Arni Saleh , Elwaheidi Mahmoud , Converti Attilio , Benaissa Mhamed , Salih Alsamani A. M. , Ghareba Saad , Abbas Nadir 
Published: December 2022

AbstractThe significance of using date palm surface fiber as a biosorbent to remove pollutants from wastewater is evaluated. This material, which has advantages over other natural adsorbing materials, for being inexpensive, renewable, eco‐friendly, and available in large scale worldwide, has been widely used for the removal of several types of pollutants such as acid and basic dyes, heavy metals, pesticides, oils, and organic compounds. In addition to its use as an effective biosorbent to remove pollutants from wastewater, date palm surface fiber exhibits wide future perspectives in several other applications.
Single arterial access closure of post‐infarction ventricular septal defect: A case series
Authors: Doost Ata , Chilmeran Ahmed , Gomes Arionilson , Dworakowski Rafal , Eskandari Mehdi , MacCarthy Philip , Cockburn James , Byrne Jonathan , Hildick‐Smith David 
Published: December 2022

AbstractBackgroundPost‐infarction ventricular septal defect (PIVSD) carries a very poor prognosis. Surgical repair offers reasonable outcomes in patients who survive the initial healing period. Percutaneous device implantation remains a potentially effective earlier alternative.Methods and ResultsFrom March 2018 to May 2022, 11 trans‐arterial PIVSD closures were attempted in 9 patients from two centers (aged 67.2 ± 11.1 years; 77.8% male). Two patients had a second procedure. Myocardial infarction was anterior in four patients (44.5%) and inferior in five cases (55.5%). Devices were successfully implanted in all patients. There were no major immediate procedural complications. Immediate shunt grade postprocedure was significant (11.1%), minimal (77.8%), or none (11.1%). Median length of stay after the procedure was 14.8 days. Five patients (55%) survived to discharge and were followed up for a median of 605 days, during which time no additional patients died.ConclusionSingle arterial access for percutaneous closure of PIVSD is a good option for these extremely high‐risk patients, in the era of effective large‐bore arterial access closure. Mortality remains high, but patients who survive to discharge do well in the longer term.
The Social Justice Consultation Corps: An interdisciplinary training initiative
Authors: Bayne Hannah B. , Mejia Jeannette , Mosley Della V. 
Published: December 2022

AbstractThe importance of preparing counselors to be social justice‐oriented practitioners is established, though there is a need for models of social justice training. In this study, we describe a pilot program of the Social Justice Consultation Corps. We identify the theoretical foundations, describe activities, and present implications for future directions.
Comparison of Two Different Biosorbents for Heavy Metal Removal
Authors: Bensenane Dhina Fadia Khadoudja , Nassrallah Noureddine , Choukchou-Braham Abderrahim 
Published: December 2022

AbstractPistachia lentiscus (LPw) and date palm leaves (PDw) are two biosorbents that are mainly used for the removal of chromium and cobalt from an aqueous solution. These biosorbents were characterized by physicochemical procedures, including Fourier transform infrared spectroscopy, zero charge point, Boehm method, and Brunauer‐Emmett‐Teller (BET) method. Various parameters, such as contact time, biosorbent quantities, diameter of the biosorbent particles, ionic strength, initial pH, and initial concentration of solutions, were optimized. The reactions of PDw+Co, LP+Co, and LPw+Cr exhibited similar isotherm profiles of type L, but indicated isotherm type C in the reaction PDw+Cr profile, according to the BET classification. All reactions mentioned above were described by the Freundlich and Temkin adsorption isotherm models, with R2 greater than 0.97. The kinetics most likely followed the pseudo‐second‐order model which was confirmed by error calculation.