bluuebunny/crossref_metadata_2025_split huggingface dataset:
Defying Thermodynamics: Stabilization of Alane Within Covalent Triazine Frameworks for Reversible Hydrogen Storage
Authors: Stavila Vitalie , Li Sichi , Dun Chaochao , Marple Maxwell A. T. , Mason Harris E. , Snider Jonathan L. , Reynolds Joseph E. , El Gabaly Farid , Sugar Joshua D. , Spataru Catalin D. , Zhou Xiaowang , Dizdar Brennan , Majzoub Eric H. , Chatterjee Ruchira , Yano Junko , Schlomberg Hendrik , Lotsch Bettina V. , Urban Jeffrey J. , Wood Brandon C. , Allendorf Mark D. 
Published: August 2021

AbstractThe highly unfavorable thermodynamics of direct aluminum hydrogenation can be overcome by stabilizing alane within a nanoporous bipyridine‐functionalized covalent triazine framework (AlH3@CTF‐bipyridine). This material and the counterpart AlH3@CTF‐biphenyl rapidly desorb H2 between 95 and 154 °C, with desorption complete at 250 °C. Sieverts measurements, 27Al MAS NMR and 27Al{1H} REDOR experiments, and computational spectroscopy reveal that AlH3@CTF‐bipyridine dehydrogenation is reversible at 60 °C under 700 bar hydrogen, >10 times lower pressure than that required to hydrogenate bulk aluminum. DFT calculations and EPR measurements support an unconventional mechanism whereby strong AlH3 binding to bipyridine results in single‐electron transfer to form AlH2(AlH3)n clusters. The resulting size‐dependent charge redistribution alters the dehydrogenation/rehydrogenation thermochemistry, suggesting a novel strategy to enable reversibility in high‐capacity metal hydrides.
Background‐Free Proton NMR Spectroscopy with Radiofrequency Amplification by Stimulated Emission Radiation
Authors: Joalland Baptiste , Theis Thomas , Appelt Stephan , Chekmenev Eduard Y. 
Published: August 2021

AbstractWe report on the utility of Radiofrequency Amplification by Stimulated Emission Radiation (RASER) for background‐free proton detection of hyperpolarized biomolecules. We performed hyperpolarization of ≈0.3 M ethyl acetate via pairwise parahydrogen addition to vinyl acetate. A proton NMR signal with signal‐to‐noise ratio exceeding 100 000 was detected without radio‐frequency excitation at the clinically relevant magnetic field of 1.4 T using a standard (non‐cryogenic) inductive detector with quality factor of Q=68. No proton background signal was observed from protonated solvent (methanol) or other added co‐solvents such as ethanol, water or bovine serum. Moreover, we demonstrate RASER detection without radio‐frequency excitation of a bolus of hyperpolarized contrast agent in biological fluid. Completely background‐free proton detection of hyperpolarized contrast agents in biological media paves the way to new applications in the areas of high‐resolution NMR spectroscopy and in vivo spectroscopy and imaging.
Microscale Interfacial Polymerization on a Chip
Authors: Rocca Marco , Dufresne Maxime , Salva Marie , Niemeyer Christof M. , Delamarche Emmanuel 
Published: August 2021

AbstractForming hydrogels with precise geometries is challenging and mostly done using photopolymerization, which involves toxic chemicals, rinsing steps, solvents, and bulky optical equipment. Here, we introduce a new method for in situ formation of hydrogels with a well‐defined geometry in a sealed microfluidic chip by interfacial polymerization. The geometry of the hydrogel is programmed by microfluidic design using capillary pinning structures and bringing into contact solutions containing hydrogel precursors from vicinal channels. The characteristics of the hydrogel (mesh size, molecular weight cut‐off) can be readily adjusted. This method is compatible with capillary‐driven microfluidics, fast, uses small volumes of reagents and samples, and does not require specific laboratory equipment. Our approach creates opportunities for filtration, hydrogel functionalization, and hydrogel‐based assays, as exemplified by a rapid, compact competitive immunoassay that does not require a rinsing step.
Low‐density polyethylene tubular reactor control using neural Wiener model predictive control
Authors: Muhammad Dinie , Rohman Fakhrony S. , Ahmad Zainal , Aziz Norashid 
Published: August 2021

AbstractLow‐density polyethylene (LDPE) is a valued commodity plastic with versatile applications. However, controlling the LDPE polymerization reactor is a challenging task due to its nonlinear behavior and multivariable process and operates in a board operating region. This work aims to develop and explore the neural Wiener MPC (NWMPC) application in controlling the LDPE tubular reactor process. The motivation for NWMPC development originates from its advantage in terms of lower development effort, time, resource, and computational costs compared to nonlinear MPC (NMPC) using the first principle model (FPM). In order to develop the LDPE tubular reactor model, the Aspen Plus and Aspen Dynamic software are used to simulate the process in steady‐state and dynamic form. The neural Wiener (NW) model identification is performed using state space and neural network model identification using Matlab software. The identification result shows the ability of the NW model to identify the nonlinear LDPE tubular reactor process successfully. Furthermore, the NWMPC has outperformed the state space MPC (SSMPC) in controlling grade transition, feed pressure loss, feed impurity disturbance, and heat of polymerization change during the online closed‐loop performance tests. These results signify the ability of NWMPC to handle practical LDPE tubular reactor control scenarios.
Archaeological prospection north of Schinias rowing centre in Marathon at the site of ancient Trikorynthos
Authors: Tsokas Grigorios N. , Tsourlos Panagiotis I. , Steinhauer G. , Stampolidis Alexandros , Vargemezis George , Chavanidis Constantinos 
Published: August 2021

AbstractA large‐scale geophysical survey was carried out at the foothills of a topographic table hosting the ruins of the ancient city ‘Trikorynthos’, in the area of Marathon, north of Athens. The explored site assumed to host remnants of ancient constructions belonging to the ancient city. Although the explored site is associated with the final phase of the famous Marathon battle, it was not expected to bear any signs of that event. Because the bulk of the survey had to be during the dry period, resistivity mapping could not be carried out. Further, tests of magnetic prospecting proved unsuccessful, leaving the electrical resistivity tomography (ERT) survey as the only alternative. Therefore, a total area of about 10 000 m2was covered by ERTs during the dry months of 2001. A few months later, during the wet winter period, about 5500 m2were explored by resistivity mapping. The electrical tomographic imaging was extensive, leading to the collection of a large volume of tomographic data. The distance between the measured electrical sections was ranging from 0.6 to 2.4 m at places, depending on the nature of the expected targets. The large number of ERTs carried out renders the survey as one of the largest worldwide of this kind. Processing and interpretation of the tomographic data was carried out in three‐dimensional (3D) using custom‐built algorithms. The inverted data were combined to produce depth slices and 3D images. A few months after the ERT survey, the wet winter conditions allowed the conduct of resistance mapping. Thus, spatially limited resistivity mapping was carried out to complement the ERT survey. The whole operation resulted in detecting and mapping various concealed structures, some of which were verified by the subsequent excavation. Therefore, the ancient use of the area is revealed by the combined result of the geophysical investigation and excavation. In fact, the area should had comprised a road network with extended cemetery westwards and rural premises at the TEST side.
Comprehensive and High‐throughput Electrolysis of Water and Urea by 3–5 nm Nickel and Copper Coordination Polymers
Authors: Kumar Ashwani , Parvin Sahanaz , Das Raj Kumar , Bhattacharyya Sayan 
Published: August 2021

AbstractMetal‐organic coordination polymers (CP) have attracted the scientific attention for electrochemical water oxidation as it has the similar coordination structure like natural photosynthetic coordinated complex. However, the harsh synthesis conditions and bulky nature pose a major challenge in the field of catalysis. Herein, 3–5 nm CP particles synthesized at room temperature using aqueous solutions of Ni2+/Cu2+ and 2,5‐dihydroxyterepthalic acid as precursor were applied for alkaline water and urea electrolysis. The overpotential required is only 300 mV at 10 mA cm−2 by Nano‐Ni CP for water oxidation, with turnover frequency (TOF) of 21.4 s−1 which is around 8 times higher than its bulk‐counterpart. Overall water and urea splitting were achieved with Nano‐Cu (−) ∥ Nano‐Ni (+) couple on Ni foam at 1.69 and 1.52 V to achieve 10 mA cm−2, respectively. High electrochemical surface area (ECSA), high TOF, and enhanced mass diffusion are found to be the key parameters responsible for the state‐of‐the‐art water and urea splitting performances of nano‐CPs as compared to their bulk counterparts.
Child Sexual Exploitation: A Survey of Knowledge and Confidence of Healthcare Providers in Saskatchewan, Canada
Authors: Nyhus‐Runtz Kira , Pederson Payton , Clay Adam , Liskowich Sarah , Beaurivage Barb 
Published: August 2021

Key Practitioner Messages

Many human trafficking victims access healthcare, but most are not identified.
Healthcare providers' overall knowledge in identifying commercially sexually exploited children was strong.
Healthcare providers lack confidence in identifying and managing sexually exploited children.
γ‐Lactam‐Based Antifungal Compounds against the Wheat Pathogen Zymoseptoria tritici
Authors: Damiens Audrey , Dascalu Anca‐Elena , Taghi Alebrahim Mohammad , Furman Christophe , Lipka Emmanuelle , Ghinet Alina , Hilbert Jean‐Louis , Siah Ali , Billamboz Muriel 
Published: August 2021

AbstractAs new environmentally friendly and effective antifungal agents are deeply needed, efficient ecofriendly strategies were designed to access two series of compounds inspired from natural γ‐lactams. Designed compounds were fully characterized and evaluated as antifungal candidates against Zymoseptoria tritici, the main pathogen on wheat crops. The targeted derivatives were prepared from natural resources using green solvents, simple procedures, and limited purification steps. These bio‐inspired compounds revealed as good candidates for further development of efficient crop protection products. Indeed, the HIT compounds exhibited IC50 around 1 μg/mL and were more active than the references tebuconazole and bixafen towards some multidrug‐resistant strains. Two dozen of derivatives have been obtained for each series and allowed to establish early structure‐activity relationships useful for the development of next generation of γ‐lactam derivatives with improved efficacy.
Synthesis of Murrayaquinone‐A Derivatives and Investigation of Potential Anticancer Properties
Authors: Cagatay Elcin , Akyildiz Volkan , Ergun Yavuz , Kayali Hulya Ayar 
Published: August 2021

AbstractA series of novel murrayaquinone a derivatives were synthesized and their anti‐cancer activity were evaluated on healthy colon cell lines (CCD‐18Co), primary (Caco‐2) and metastatic (DLD‐1) colon cancer cell lines. The results showed that the cytotoxicity of murrayaquinone molecules is significantly high even in micromolar levels. The DNA binding, cell cycle arrest and metabolic activity studies of these molecules were also carried out and the results showed that these molecules induce apoptosis. In conclusion, the data support further studies on murrayaquinone derivatives toward selection of a candidate for cancer treatment.
Facile Conversion of Molecularly Complex (Hetero)aryl Carboxylic Acids into Alkynes for Accelerated SAR Exploration
Authors: Lutter Ferdinand H. , Jouffroy Matthieu 
Published: August 2021

Abstract1,2,3‐Triazoles are well‐established bioisosteres for amides, often installed as a result of structure−activity‐relationship (SAR) exploration. A straightforward approach to assess the effect of the replacement of an amide by a triazole would start from the carboxylic acid and the amine used for the formation of a given amide and convert them into the corresponding alkyne and azide for cyclization by copper‐catalyzed alkyne−azide cycloaddition (CuAAC). Herein, we report a functional‐group‐tolerant and operationally simple decarbonylative alkynylation that allows the conversion of complex (hetero)aryl carboxylic acids into alkynes. Furthermore, the utility of this method was demonstrated in the preparation of a triazolo analog of the commercial drug moclobemide. Lastly, mechanistic investigations using labeled carboxylic acid derivatives clearly show the decarbonylative nature of this transformation.
Nanostructured Copper Surface Kills ESKAPE Pathogens and Viruses in Minutes
Authors: Yi Guangshun , Riduan Siti Nurhanna , Armugam Arunmozhiarasi , Ong Jin Ting , Hon Pei Yun , Abdad Mohammad Yazid , Vasoo Shawn , Ang Brenda SP , Zhang Yugen 
Published: August 2021

AbstractIn the search for a fast contact‐killing antimicrobial surface to break the transmission pathway of lethal pathogens, nanostructured copper surfaces were found to exhibit the desired antimicrobial properties. Compared with plain copper, these nanostructured copper surfaces with Cu(OH)2 nano‐sword or CuO nano‐foam were found to completely eliminate pathogens at a fast rate, including clinically isolated drug resistant species. Additionally these nanostructured copper surfaces demonstrated potential antiviral properties when assessed against bacteriophages, as a viral surrogate, and murine hepatitis virus, a surrogate for SARS‐CoV‐2. The multiple modes of killing, physical killing and copper ion mediated killing contribute to the superior and fast kinetics of antimicrobial action against common microbes, and ESKAPE pathogens. Prototypes for air and water cleaning with current nanostructured copper surface have also been demonstrated.
Blockchain based cloud service security architecture with distributed machine learning for smart device traffic record transaction
Authors: Pon Partheeban , V Kavitha 
Published: August 2021

AbstractIn today's world, the transaction through the smart device has received greater attention and configures numerous applications which can efficiently process huge traffic records on a growing demand for service centers from the edge of the networks. Due to these immense growths, the concern raises in critical transaction records in terms of system security threats and efficiency issues in the smart devices. However, existing methods failed due to security attacks during the tenure of access transactions and aggregated services. Recently, blockchain technology enables service centers depends on various platforms to share transaction records. But, it is difficult to store the transaction record because of its size. To address these issues, we proposed a SECure LearningChain (SEC‐LearningChain) design based on the integration of blockchain technology, machine learning (ML), and cloud computing primitives are applied together for a secure data transaction in a Peer to Peer network as well as efficient data sharing service. This approach consists of four design models: First, an attack detection model detects the attack using threshold‐based anomalous traffic detector in the transaction network. Second, a mold blockchain transaction network model is designed based on the cryptographic hash and encryption to deal with threats and validate the identity verification process for a secure transaction. Next, the large‐scale transaction record is optimized and trains the ML model for the output prediction. Finally, the cloud assessment model manages the stored transaction records and easily share the accessed services across different cloud platforms for each service center. Furthermore, we prove that the SEC‐LearningChain design resists transmission control protocol flooding attack, denial of service attack, and falsify attack. Experimental results demonstrate that the performance of the SEC‐LearningChain achieves more number of transactions in each blocks over existing schemes.
Oral health in patients with end‐stage renal disease: A scoping review
Authors: Laheij Alexa , Rooijers Wietse , Bidar Lela , Haidari Lema , Neradova Aegida , de Vries Ralph , Rozema Frederik 
Published: August 2021

AbstractObjectivesIn patients with end stage, renal disease a high rate of morbidity and mortality is present. Studies suggest that end stage renal disease may affect oral health. Therefore, the aim of this study was to perform a scoping review on periodontal disease, dental caries, xerostomia, and hyposalivation in end stage renal disease patients.Materials and methodsA literature search (in PubMed and Embase.com) was performed up to September 29, 2020, in collaboration with a medical information specialist. Included outcome variables were the community periodontal index, probing pocket depth, gingival index, bleeding on probing, decayed‐missing‐filled‐teeth, carious‐absent‐obturated index, Xerostomia Inventory and the (un)stimulated whole salivary flow rate.ResultsForty three out of 1293 studies were included in the final review comprising 7757 end stage renal disease patients. The average age was 58.3 ± 29.4 years. 28.2%–78.8% of patients reported xerostomia and the (un)stimulated salivary flow rates were significantly lower. Higher community periodontal index scores were measured in end stage renal disease patients. More decayed‐missing‐filled‐teeth were recorded, but no differences were found between groups.ConclusionsXerostomia and hyposalivation were highly prevalent in end stage renal disease patients. Patients have more deepened pockets, but an equal number of carious teeth compared to healthy controls.
Copper‐Catalyzed Electrosynthesis of Nitrite and Nitrate from Ammonia: Tuning the Selectivity via an Interplay Between Homogeneous and Heterogeneous Catalysis
Authors: Johnston Sam , Kemp Liam , Turay Bila , Simonov Alexandr N. , Suryanto Bryan H. R. , MacFarlane Douglas R. 
Published: August 2021

AbstractElectrocatalytic oxidation of ammonia is an appealing, low‐temperature process for the sustainable production of nitrites and nitrates that avoids the formation of pernicious N2O and can be fully powered by renewable electricity. Currently, however, the number of known efficient catalysts for such a reaction is limited. The present work demonstrates that copper‐based electrodes exhibit high electrocatalytic activity and selectivity for the NH3 oxidation to NO2− and NO3− in alkaline solutions. Systematic investigation of the effects of pH and potential on the kinetics of the reaction using voltammetric analysis andin situ Raman spectroscopy suggest that ammonia electrooxidation on copper occurrs via two primary catalytic mechanisms. In the first pathway, NH3 is converted to NO2− via a homogeneous electrocatalytic process mediated by redox transformations of aqueous [Cu(OH)4]−/2− species, which dissolve from the electrode. The second pathway is the heterogeneous catalytic oxidation of NH3 on the electrode surface favoring the formation of NO3−. By virtue of its nature, the homogeneous‐mediated pathway enables higher selectivity and was less affected by electrode poisoning with the strongly adsorbed “N” intermediates that have plagued the electrocatalytic ammonia oxidation field. Thus, the selectivity of the Cu‐catalyzed NH3 oxidation towards either nitrite or nitrate can be achieved through balancing the kinetics of the two mechanisms by adjusting the pH of the electrolyte medium and potential.
Establishing consensus for labeling and defining the later stage of anorexia nervosa: A Delphi study
Authors: Broomfield Catherine , Noetel Melissa , Stedal Kristin , Hay Phillipa , Touyz Stephen 
Published: August 2021

AbstractObjectiveVaried perspectives on the later stage of anorexia nervosa (AN) have left the field of eating disorders without a consistent label or definition for this subpopulation. As a result, diverse criteria when recruiting participants have led to incomparable results across research studies and a lack of guidance when assessing and treating patients in the clinical context. The aim of the current study was to develop consensus‐based guidelines on the labeling and defining of the later stage of AN.MethodUtilizing the Delphi methodology, a professional panel of experts (N = 21) participated in three rounds of questionnaires. Five open‐ended questions (Round 1) were analyzed using content analysis to form statements relating to a classification system for labeling and defining the later stage of AN. A total of 80 statements were rated in terms of panelists' level of agreement (Rounds 2 and 3).ResultsConsensus was achieved for 28.8% of statements and a further 16.3% of statements reached near consensus in the second and third round of questionnaires. Two labels were identified with five defining features achieving consensus.DiscussionFindings from the study suggest an alternative approach to labeling be adopted with consensus‐based guidelines established for defining the later stage of AN. Implications that may occur from a unified classification system are explored with longitudinal research required to assess the impact on patients experiencing the later stage of AN.
Mn(IV)‐Substituted Metal(II) Hexafluorido Metallates(IV): Synthesis, Crystal Structures, and Luminescence Properties
Authors: Bandemehr Jascha , Baumann Dominik , Seibald Markus , Eklund Kim , Karttunen Antti J. , Kraus Florian 
Published: August 2021

AbstractWe synthesized 16 novel red‐emitting Mn(IV)‐substituted phosphors of the compositions MgGeF6 : Mn, MgPbF6 : Mn, CaMF6 : Mn (M=Ge, Sn, Pb, Zr, Hf), SrSnF6 : Mn, “SrTiF6 : Mn”, BaPbF6 : Mn, ZnMF6 : Mn (M=Sn, Pb, Zr, Hf), and CdMF6 : Mn (M=Pb, Hf) using a dry‐chemical fluorination process completely avoiding hydrofluoric acid. In comparison with the commonly used red‐emitter K2SiF6 : Mn (KSF) with its emission maximum at 630.8 nm, all above Ca and Sr compounds and CdHfF6 : Mn show a blue‐shift of their emission maxima, the compound SrSnF6 : Mn even by 4.2 nm down to 626.6 nm. The compounds were characterized by powder X‐ray diffraction, IR and emission spectroscopy. We additionally present the crystal structures of the unsubstituted compounds CaZrF6, CaHfF6, CaPbF6, CdZrF6, CdHfF6, and MgHfF6, which all crystallize isotypic in the NaSbF6 structure type. The compound “SrTiF6” was characterized by powder XRD and studied with evolutionary structure prediction methods, but its crystal structure could not yet be solved.
Gold‐Catalyzed Amination Reactions: Progress and Prospects
Authors: Nandhu Chembil Thankachan , Aneeja Thaipparambil , Anilkumar Gopinathan 
Published: August 2021

AbstractCoupling reactions became a prominent field in synthetic organic chemistry. Metal‐catalyzed coupling reactions have always attracted the scientific community and extensive research is still continuing. Gold, owing to its high functional group tolerance, has received much attention in recent times. This first Review on gold‐catalyzed amination reactions summarizes the advances in this topic covering literature up to 2021.