bluuebunny/crossref_metadata_2025 huggingface dataset:
Anchoring LiCl in the Nanopores of Metal–Organic Frameworks for Ultra‐High Uptake and Selective Separation of Ammonia
Authors: Shi Yunlei , Wang Zhenxiang , Li Zhiyong , Wang Huiyong , Xiong Dazhen , Qiu Jikuan , Tian Xiaoxin , Feng Guang , Wang Jianji
Published: October 2022

Ammonia (NH3) is an important chemical raw material and a unique carbon‐free fuel with high hydrogen energy density. Thus, NH3 capture, storage, and desorption are of significant importance. However, high capacity capture, low energy desorption, and selective separation of NH3 are still challengs so far. Here, we report high‐performance hybrid sorbents by anchoring LiCl in the nanopores of MIL‐53‐(OH)2 metal–organic frameworks (MOFs). It is found that the optimal composite shows a capture capacity of 33.9 mmol g−1 NH3 at 1.0 bar and 25 °C, which far exceeds the current record among the reported porous materials. Notably, the excellent capture capacity at low pressure and high temperature makes it possible to selectively capture NH3 from NH3/N2, NH3/CO2, and NH3/H2O. It is revealed that synergistic action of NH3 coordination to the highly dispersed Li+ in the MOF nanopores and hydrogen bonding of NH3 with Cl− account for such an excellent capture and selectivity performance.
Aryne 1,4‐Disubstitution and Remote Diastereoselective 1,2,4‐Trisubstitution via a Nucleophilic Annulation‐[5,5]‐Sigmatropic Rearrangement Process
Authors: Chen Zhonghong , Tan Min , Shan Chunhui , Yuan Xiaoling , Chen Liyuan , Shi Jiarong , Lan Yu , Li Yang
Published: October 2022

Both aryne 1,4‐disubstitution and 1,2,4‐trifunctionalization were accomplished from tertiary amines bearing a penta‐2,4‐dien‐1‐yl moiety. These transformations could directly incorporate a C−N and a C−C bond para to each other on an aryne intermediate via a sequential nucleophilic addition and [5,5]‐sigmatropic rearrangement. When arynes bearing 3‐tethered electrophiles were employed, a cascade regioselective nucleophilic addition, intramolecular cyclization, and remote diastereoselective [5,5]‐sigmatropic rearrangement process was observed. Our density functional theory (DFT) calculations revealed that hydrogen‐bonding interactions between two C−H hydrogens on the penta‐2,4‐dien‐1‐yl chain and the oxygen anion generated upon N‐nucleophilic annulation reaction in the [5,5]‐sigmatropic rearrangement step is responsible for the remote diastereoselective control in this reaction system.
3′‐O‐(2‐Nitrobenzenesulfonyl)fluorescein as a Fluorescent Probe for Hydrogen Polysulfides by Straightforward One‐Step Deprotection
Authors: Tsukamoto Koji , Ohsawa Hikaru , Nishiyama Ryosuke , Maeda Hatsuo
Published: October 2022

To develop a fluorescent probe for hydrogen polysulfides (H2Sn, n≥2) based on protection‐deprotection chemistry, we protected fluorescein with nitrobenzenesulfonyl groups bearing various substituents with different electrophilic reactivities, and evaluated their responsiveness toward H2Sn. 3′‐O‐(2‐Nitrobenzenesulfonyl)fluorescein (1 c) provided the best sensitivity toward H2Sn and selectivity over hydrogen sulfide and glutathione. Further evaluation demonstrated that 1 c was an excellent probe, comparable with PSP‐3, one of the best H2Sn probes developed to date. The attractive features of 1 c were capitalized on by synthesizing the acetylated derivative from 1 c, which was shown to be cell‐permeable and applicable to the fluorescent imaging of H2Sn in HeLa cells.
Fabrication of novel Fe (III), Co (II), Hg (II), and Pd (II) complexes based on water‐soluble ligand (NaH2PH): structural characterization, cyclic voltammetric, powder X‐ray diffraction, zeta potential, and biological studies
Authors: Mohammed Mahdi A. , Fetoh Ahmed , Ali Tamer Awad , Youssef Magdy M. , Abu El‐Reash Gaber M.
Published: October 2022

Sodium4‐hydroxy‐3‐([2‐picolinoylhydrazineylidene]methyl)benzenesulfonate (NaH2PH) was synthesized as a novel water‐soluble ligand, by the condensation of picolinohydrazide with sodium 3‐formyl‐4‐hydroxybenzenesulfonate. The (NaH2PH) ligand and its isolated Co (II), Fe (III), Hg (II), and Pd (II) complexes were analyzed by elemental analysis and characterized by spectroscopic (Fourier transform infrared spectroscopy, UV–visible, powder XRD, 1H NMR,13C NMR, MS) and magnetic measurements. By comparing IR spectra of both ligand and the metal complexes, one can assume that the (NaH2PH) ligand behaves as a bi‐negative tetradentate (ONNO) in [Co (NaPH)(H2O)2].3H2O, and a mono‐negative tridentate (ONO) in [Fe (NaPH)Cl2(H2O)] complex, whereas in [Hg2(NaPH)Cl2(H2O)] complex, (NaH2PH) coordinates as a bi‐negative pentadentate (ONNNO) ligand via deprotonated OH group of phenolic ring (C=N)Py and (C=N*) coordinated to one of Hg (II) ion and the oxygen atom of enolic group and (C=N)az group with the another Hg (II) ion. Moreover, (NaH2PH) acts as bi‐negative tridentate (ONO) ligand in [Pd (NaPH)(H2O)].2H2O complex. The geometries of complexes were suggested based on the UV–visible spectra, magnetic measurements and confirmed by applying discrete Fourier transform (DFT) optimization studies. The thermal fragmentation of both [Pd (NaPH)(H2O)].2H2O and [Co (NaPH)(H2O)2].3H2O complexes was performed, and the kinetic and thermodynamic parameters were computed using the Coats–Redfern and Horowitz–Metzger methods. The redox behavior of divalent ions of cobalt and mercury were discussed by the cyclic voltammetry technique in the presence and absence of (NaH2PH) ligand. Biological potencies of the ligand and its metal complexes were evaluated as antioxidants (ABTS and DPPH), anticancer, DNA, and antimicrobial (Staphylococcus aureus and Bacillus subtilis as Gram (+) bacteria, Escherichia coli and Pseudomonas aeruginosa as Gram (−) bacteria, and Candida albicans as fungi).
The role of internal stresses, temperature, and water on the swelling of pigmented epoxy systems during hygrothermal aging
Authors: Mallarino Stephanie , Renaud Alexis , Trinh Dao , Touzain Sebastien
Published: October 2022

The effect of a pigment (titanium dioxide at 20 wt%), temperature and water on the dimensional changes of a model epoxy polymer resin (DGEBA‐DAMP) was the focus of this research. Dynamic mechanical analysis was used to quantify in situ dimensional changes of free films, pigmented or not, with a thickness of 120 μm, at different temperatures (30, 40, 50, and 60°C). The behavior of unpigmented and pigmented systems differed, with pigmented systems swelling less than unpigmented systems. These disparities in swelling were related to the existence of increased internal stresses in the pigmented system because of the inclusion of titanium dioxide. Thermal expansion was investigated, and the coefficient of thermal expansion (CTE) was determined. The CTE of pigmented systems were lower than those of unpigmented systems. Hygroscopic swelling was then deduced and was related to the water content. A relationship between water sorption and hygroscopic swelling was demonstrated and revealed two major points. Firstly, synergistic effects exist between water and temperature leading to a higher swelling. Second, the water/polar group interaction mechanisms govern the swelling kinetics in these systems, a result supported by high enthalpy solubility values. The chemical structure of networks plays a predominant role. Finally, the swellings of free films were compared with those of coated substrates. Due to the presence of residual stresses caused by the formation of the coating/substrate interface, the coatings displayed a greater swelling than the free films. These stresses were calculated utilizing a simplified analytical method and appeared to be comparable for both systems.
Preparation of silver nanoparticle functionalized aramid fiber by employing dopamine and silane coupling agent modification
Authors: Sun Baojie , Li Dongliang , Li Chenchen , Jiang Liang , Zhou Yanfen , Ma Jianwei , Chen Shaojuan
Published: October 2022

Silver nanoparticles functionalized poly‐p‐phenylene terephthamide (PPTA) fiber was fabricated through the electroless plating method. To facilitate the efficient deposition of silver nanoparticles, the PPTA fiber surface was modified by using dopamine and γ‐methacryloxypropyl trimethoxy silane (MPTES). Various techniques including scanning electron microscope (SEM), X‐ray photoelectron spectroscopy (XPS) and X‐ray diffraction (XRD) were used to characterize the surface morphology and chemical composition of surface modified and silver‐plated PPTA fibers. The silver‐plated PPTA fiber showed a surface resistance of 0.53 Ω over a length of 1 cm with reliable coating fastness under ultrasonic washing and high temperature treatment. Furthermore, the silver‐plated PPTA fiber exhibited antibacterial resistance against Escherichia coli and Staphylococcus aureus, as well as good electrical heating performance with surface temperature of 100.4°C at a voltage of 4.5 V.
Surface modification of porous polyvinylidene fluoride hollow fiber membrane by sulfonated poly(ether ether ketone) coating for membrane distillation of oily wastewater
Authors: Arjmand Ehsan , Mansourizadeh Amir , Ghaedi Abdol Mohammad , Rahbari‐Sisakht Masoud
Published: October 2022

Highly porous polyvinylidene fluoride hollow fiber membranes were fabricated by a non‐solvent induced phase separation process. The membranes were modified by coating an ultra‐thin hydrophilic layer of sulfonated poly(ether ether ketone) (sPEEK) onto the inner surface. An industrial oily wastewater treatment was performed through an air gap membrane distillation (AGMD) process. From field emission scanning electron microscopy, the modified membrane showed an open structure with a large finger‐like outer layer and sponge‐like inner layer. The thickness of the coated sPEEK layer on the inner surface was about 0.5 μm. The coated membrane presented mean pore size of 36 nm and overall porosity of 73%. The inner surface water contact angle decreased from about 82° to 57°. Using Langmuir adsorption experiment, minor oil adsorption on the modified membrane surface was confirmed. A stable water flux of about 12 kg m−2 h−1 and oil rejection of 99% were found during 72 h of the AGMD process for treating the oily wastewater of NGL‐900 (Gachsaran, Iran) plant. The high flux recovery ratio of about 98% was related to the improved anti‐oil‐fouling property. The modified membrane can be a potential candidate for oily wastewater treatment through the MD processes.
The neuroanatomy of the bothremydid pleurodiran turtle Galianemys, from the Late Cretaceous (Cenomanian) of Morocco
Authors: Martín‐Jiménez Marcos , Pérez‐García Adán
Published: October 2022

Galianemys is one of the three genera of Cearachelyini (Pleurodira, Bothremydidae) so far defined, being the only one identified in Africa (in the Cenomanian of Morocco). It is represented by two species, Galianemys whitei and Galianemys emringeri, both being identified by several skulls. The other two representatives of Cearachelyini are both South‐American forms, and only the species Cearachelys placidoi (from the Albian of Brazil) preserves cranial remains, including a partial skull corresponding to its holotype. However, despite the relatively great number of skulls identified for both Galianemys spp. and Cearachelys placidoi, information about the neuroanatomy of this lineage is very limited. The three‐dimensional (3D) reconstruction of the skulls of two specimens belonging to the genus Galianemys, each of them representing a different species, is performed here for the first time. All of the cranial bones of one of them are also virtually reconstructed to accurately characterize them. In addition, the 3D models of the main neuroanatomical structures (i.e., cranial, nasal, and labyrinthic cavities, and nervous and carotid canals) of both specimens were generated, most of them being described in detail for first time in Cearachelyini. Neuroanatomical differences are recognized when the skulls of both species of Galianemys analyzed here are compared. In addition, the comparison between the neuroanatomy of Galianemys spp. and that of other non‐Cearachelyini bothremydids allow us to identify some differences between those lineages, but also recognize other shared characters for the entire lineage of Bothremydidae, to providing a more precise characterization within Pleurodira.
Archaeological site identification from open access multispectral imagery: Cloud computing applications in Northern Kurdistan (Iraq)
Authors: Valente Riccardo , Maset Eleonora , Iamoni Marco
Published: October 2022

This paper presents the results of an archaeological survey carried out in the Navkur Plain, Iraqi Kurdistan, as part of the ‘Asingeran Archaeological Project’. The survey was prepared using remote sensing products accessed via Google Earth Engineⓒ, a large‐scale cloud computing service freely available to the scientific community that allows processing remote sensing big data. Outputs generated with a multitemporal approach are particularly successful for archaeological research, because it is possible to maximize the visibility of archaeological sites, improving their detection. Multispectral imagery from Landsat 5, Landsat 7 and Sentinel‐2 collections were used and processed, testing their utility for finding unknown ancient settlements in the densely studied area of Northern Mesopotamia. Seventeen new sites were discovered in an already surveyed area of limited size (<100 km2), showing the potentialities of this method. The advantages of cloud computing for Near Eastern Archaeology and the results of the survey are also presented and discussed.
Zur Biegebemessung kombiniert bewehrter UHFB‐Biegeträger
Authors: Leutbecher Torsten , Heck Lennart , Metje Kevin , Riedel Philipp
Published: October 2022

Die Bestimmung der Biegetragfähigkeit von mit Betonstahl und Stahlfasern kombiniert bewehrten Querschnitten erfordert eine Erweiterung der für Stahl‐ und Spannbeton geltenden Annahmen. Zur Berücksichtigung der Fasertragwirkung im Biegeriss wird eine Spannungs‐Dehnungs‐Linie in der Regel aus gemessenen Spannungs‐Rissöffnungs‐ oder Last‐Durchbiegungs‐Kurven abgeleitet. Bei der Umrechnung dient eine sogenannte strukturelle charakteristische Länge als Bezugsgröße. Im Rahmen dieses Beitrags werden bei der Ermittlung dieser Länge Einflüsse aus der Querschnittshöhe und weitere, die Rissbildung beeinflussende Parameter berücksichtigt. Als „Spannungs‐Dehnungs‐Linie“ wird ein Spannungsblock mit einer Grenzdehnung vorgeschlagen, die sich am Erreichen einer „kritischen“ Rissbreite orientiert. Die „kritische“ Rissbreite kennzeichnet bei rein stahlfaserbewehrten Querschnitten das Maximum der Fasertragwirkung im Biegeriss und bei kombiniert bewehrten Querschnitten den Beginn der Verformungslokalisierung. Die Verformungslokalisierung tritt bei kombiniert bewehrten Querschnitten als weiterer möglicher Versagensmodus zu den bekannten Versagensformen Biegezugversagen und Biegedruckversagen hinzu. Durch den vorgeschlagenen Bemessungsansatz werden die Biegetragfähigkeit, der Momenten‐Krümmungs‐Zusammenhang und der Versagensmodus ausgewählter Versuche sehr gut abgebildet. Eine Parameterstudie zeigt grundlegende Zusammenhänge auf, die auch in Experimenten beobachtet werden konnten.
Using mortality to predict incidence for rare and lethal cancers in very small areas
Authors: Etxeberria Jaione , Goicoa Tomás , Ugarte Maria D.
Published: October 2022

Incidence and mortality figures are needed to get a comprehensive overview of cancer burden. In many countries, cancer mortality figures are routinely recorded by statistical offices, whereas incidence depends on regional cancer registries. However, due to the complexity of updating cancer registries, incidence numbers become available 3 or 4 years later than mortality figures. It is, therefore, necessary to develop reliable procedures to predict cancer incidence at least until the period when mortality data are available. Most of the methods proposed in the literature are designed to predict total cancer (except nonmelanoma skin cancer) or major cancer sites. However, less frequent lethal cancers, such as brain cancer, are generally excluded from predictions because the scarce number of cases makes it difficult to use univariate models. Our proposal comes to fill this gap and consists of modeling jointly incidence and mortality data using spatio‐temporal models with spatial and age shared components. This approach allows for predicting lethal cancers improving the performance of individual models when data are scarce by taking advantage of the high correlation between incidence and mortality. A fully Bayesian approach based on integrated nested Laplace approximations is considered for model fitting and inference. A validation process is also conducted to assess the performance of alternative models. We use the new proposals to predict brain cancer incidence rates by gender and age groups in the health units of Navarre and Basque Country (Spain) during the period 2005–2008.
Asymmetric preparation of 2,4,6‐trisubstituted dihydropyridazinones
Authors: Park Min Ji , Kim Seo Yun , Lee Ha Rim , Park Yong Sun
Published: October 2022

Modular three‐component synthesis of highly enantioenriched 2,4,6‐trisubstituted dihydropyridazinones was developed through the nucleophilic substitution of α‐bromoacetates with silyl enol ethers and subsequent condensation with hydrazine derivatives.
A highly sensitive method (supercritical fluid chromatography coupled with ion mobility mass spectrometry) for determination of multiple compounds in radix curcumae
Authors: Ye Li‐Hong , Dong Xin , Cao Jun
Published: October 2022

A highly sensitive method was developed for simultaneously separating and identifying multiple compounds in radix curcumae. The determination of these compounds was achieved by combining supercritical fluid chromatography with drift tube ion mobility quadrupole time‐of‐flight MS. Related parameters were optimized: the RX‐SIL column was used as the stationary phase, methanol was selected as the organic modifier, back pressure was 120 bar, back temperature was 60°C, the mobile phase flow rate was 1.75 mL/min, the makeup solvent was 0.2% formic acid/methanol with a flow rate of 0.7 mL/min. Under optimal conditions, multipolar compounds were separated. Furthermore, these compounds were identified by the values of collision sectional areas. The established method was verified by related parameters and exhibited good linearity, sensitivity, precision and accuracy. It could be extended to analyze other curcuminoids and sesquiterpenoids in natural products.
Towards understanding of CO2 electroreduction to C2+ products on copper‐based catalysts
Authors: Liu Tianfu , Sang Jiaqi , Li Hefei , Wei Pengfei , Zang Yipeng , Wang Guoxiong
Published: October 2022

The electrochemical CO2 reduction reaction (CO2RR) has been regarded as a promising technique for converting CO2 into high‐value fuels and chemicals. Powered by renewable electricity, the CO2RR provides a viable strategy to mitigate the CO2 concentration in the atmosphere and close the anthropogenic carbon cycle. Recent studies exhibit that copper‐based catalysts are capable of reducing CO2 to C2+ products, such as ethylene and ethanol, which are of higher value compared with C1 products. The reaction process toward C2+ products involves the formation of key intermediate *CO, the C–C bonding, and the post‐C–C bonding to final products. This perspective is focusing on the mechanism leading to C2+ products, examining the evidence from in situ/operando spectroscopy and density functional theory calculations. The effects of Cu facet and electrolyte on catalytic performance are reviewed. An in depth discussion of mechanistic aspects of Cu catalyst is presented, shedding light on the intrinsic features of catalyst and electrode‐electrolyte interface, therefore moving towards an understanding of CO2RR at the atomic level.
The selective effect of lockdown experience on citizens' perspectives: A multilevel, multiple informant approach to personal and community resilience duringCOVID‐19 pandemic
Authors: Procentese Fortuna , Gatti Flora , Rochira Alessia , Tzankova Iana , Di Napoli Immacolata , Albanesi Cinzia , Aresi Giovanni , Compare Christian , Fedi Angela , Gattino Silvia , Guarino Antonella , Marta Elena , Marzana Daniela
Published: October 2022

In the face of the first wave of COVID‐19 contagion, citizens all over the world experienced concerns for their safety and health, as well as prolonged lockdowns – which brought about limitations but also unforeseen opportunities for personal growth. Broad variability in these psychological responses to such unprecedented experiences emerged. This study addresses this variability by investigating the role of personal and community resilience. Personal resilience, collective resilience, community disaster management ability, provided information by local authorities, and citizens' focus on COVID‐19‐related personal concerns and lockdown‐related opportunities for personal growth were detected through an online questionnaire. Multilevel modelling was run with data from 3,745 Italian citizens. The potential of personal resilience as a driver for individuals to overcome adverse situations with positive outcomes was confirmed. Differently, the components of community resilience showed more complex paths, highlighting the need to pay more attention to its role in the face of far‐reaching adverse events which hardly test individuals' as well as communities' adaptability and agency skills. The complexities linked to the multi‐component and system‐specific nature of resilience, as well as potential paths towards making the most out of citizens' and communities' ones, emerge. The theoretical and practical implications are discussed.
Synthesis of 4‐Hydroxycoumarin‐Based Triazoles/Oxadiazoles as Novel Anticancer Agents
Authors: Hashemi Seyedeh Mahdieh , Hosseini‐khah Zahra , Mahmoudi Fatemeh , Emami Saeed
Published: October 2022

A series of novel 3‐substituted‐4‐hydroxycoumarins 7 and 8 containing (5‐aryl‐1,3,4‐oxadiazol‐2‐yl)thio or (4‐amino‐5‐aryl‐4H‐1,2,4‐triazol‐3‐yl)thio moieties have been synthesized and evaluated as anticancer agents. The in vitro MTT assay of compounds against hepatocellular carcinoma (HepG2), breast cancer (MCF7) cells, and a human colorectal adenocarcinoma cell line with epithelial morphology (HT29) indicated that the HepG2 cells had more susceptibility to the tested compounds. Indeed, all compounds (with the exception of 7b, 7c, 7g, and 8g) were more potent than the standard drug doxorubicin against HepG2 cells (IC50 values=1.65–3.83 μM). Although, the better result was obtained with the oxadiazole analog 7h against HepG2 (IC50=1.65 μM), the N‐amino‐triazole derivatives 8c, 8e, 8f and, 8h with IC50 values of 1.78–6.34 μM showed potent activity against all tested cell lines. The good drug‐like properties and in vitro potency and selectivity of 4‐hydroxycoumarins 8 make them as good leads for the development of new anticancer agents.
Gaining the Freedom of Scalable Gas Diffusion Electrodes for the CO2 Reduction Reaction
Authors: Wang Xin , Tomon Chanikarn , Bobrowski Tim , Wilde Patrick , Junqueira João R. C. , Quast Thomas , He Wenhui , Sikdar Nivedita , Weidner Jonas , Schuhmann Wolfgang
Published: October 2022

Gas diffusion electrodes (GDEs) in CO2 reduction reaction (CO2RR) alleviate the mass transfer limitation of gaseous reagents, which is beneficial for reducing CO2 into valuable chemicals. GDEs offer higher current densities compared to electrodes immersed in the electrolyte. Disclosing the roles of different structural parameters in tuning the performance of the GDEs is essential to exert the potential of catalysts and to meet potential large‐scale industrial applications of the CO2RR. A novel layer structure for the airbrush‐type spray fabrication of GDEs was designed and optimised, comprising a carbon‐based gas‐diffusion layer, a PEEK fabric, a Ni mesh, a carbon‐integrated catalyst layer, and a PTFE top layer. It was shown that adjusting the carbon material in the gas diffusion and the catalyst layer impacts the selectivity of the CO2RR due to the modulation of the pore network. This work disclosed a practical and scalable but also an easily transferable pathway for preparing GDEs and offered an idea of how to tune the significant parameters of GDEs for optimising their CO2RR performance.
Cluster‐Based Crystalline Materials for Iodine Capture
Authors: Wang San‐Tai , Liu Ya‐Jie , Zhang Cheng‐Yang , Yang Fan , Fang Wei‐Hui , Zhang Jian
Published: October 2022

The treatment of radioactive iodine in nuclear waste has always been a critical issue of social concern. The rational design of targeted and efficient capture materials is of great significance to the sustainable development of the ecological environment. In recent decades, crystalline materials have served as a molecular platform to study the binding process and capture mechanism of iodine molecules, enabling people to understand the interaction between radioactive iodine guests and pores intuitively. Cluster‐based crystalline materials, including molecular clusters and cluster‐based metal‐organic frameworks, are emerging candidates for iodine capture due to their aggregative binding sites, precise structural information, tunable pores/packing patterns, and abundant modifications. Herein, recent progress of different types of cluster materials and cluster‐dominated metal‐organic porous materials for iodine capture is reviewed. Research prospects, design strategies to improve the affinity for iodine and possible capture mechanisms are discussed.
Tantalum Capacitor Separation from Waste Printed Circuit Boards with Molten Salt or Metal
Authors: Riedewald Frank , Povey Ian , Barton Killian , Lewis Liam , Santos Silvia , O'Mahoney Maria , Sousa‐Gallagher Maria
Published: October 2022

Tantalum is the crucial metal of surface‐mounted (SMD) tantalum capacitors. Some 50 % of the tantalum mined is consumed in its manufacture, making waste printed circuit boards (WPCBs) an excellent source of secondary tantalum. Yet, its recycling rate is less than 1 %. This paper proposes liberating SMD capacitors from WPCBs by treating them with molten metal or salt. For both processes, the epoxy encapsulation of the capacitors did not disengage from the tantalum core. Furthermore, the molten metal process appears superior to the molten salt one. The tantalum capacitors exit the pyrolysis chamber without salt adhering to them.
Modeling Study on Non‐Uniform Lateral Distribution in Large‐Scale Circulating Fluidized Bed Boilers
Authors: Deng Boyu , Zhang Yi , Zhang Man , Yang Hairui , Yue Guangxi
Published: October 2022

With the development of the circulating fluidized bed (CFB) combustion technology, the cross‐sectional area of the boiler furnace increases gradually, making the lateral non‐uniform distribution in the furnace more prominent. To investigate the flow field inhomogeneity in the furnace, a two‐dimensional mass balance model was established in this work, and the lateral solid concentration deviation was adopted to evaluate the degree of the flow field inhomogeneity. Afterwards, the effect of four factors on the lateral non‐uniform distribution was examined. It turned out that the lateral profile of the primary air flow rate had a much greater influence than that of the coal feeding rate.
A novel predictive homotopic path tracking algorithm to solve non‐linear algebraic equations
Authors: López‐González María de la Luz , Quemada‐Villagómez Miriam Lucero , Martinez‐González Gloria María , Oliveros‐Muñoz Juan Manuel , Jiménez‐Islas Hugo
Published: October 2022

In chemical engineering and other areas of mathematics and engineering sciences, systems of non‐linear algebraic equations often must be solved, and a problem is that these types of systems often cannot be solved analytically. Homotopic continuation methods are globally convergent and can find several solutions to the analyzed algebraic system and consist of a predictive step followed by a corrective step, which can cause reversion of homotopic path tracking. Therefore, in this work, the use of a homotopy continuation method (HCM) based on a purely predictive methodology is proposed; that is, it only makes use of predictor vectors (without correction vectors) to find the solution to several systems of non‐linear algebraic equations with a multiplicity of solutions, employing lower central proccessing unit (CPU) time in comparison with standard homotopic tracking algorithms.
Recent Developments in Process Digitalisation for Advanced Nanomaterial Syntheses
Authors: Iglesias Diego , Haddad Dina , Sans Victor
Published: October 2022

Digitalisation and industry 4.0 are set to profoundly change the way chemical and materials discovery and development work. The integration of multiple enabling technologies such as flow synthesis, automation, analytics, and real‐time reaction control lead to highly efficient, productive, data‐driven discovery and synthetic protocols. For instance, the development of flow chemistry enables the fine control and automation of process parameters such as flow rates, temperature, and pressure, which inherently enhances process efficiency. Flow chemistry presents a more sustainable means of manufacturing in terms of waste minimisation, as it enables the integration of synthetic processes with downstream processing. Furthermore, it allows the integration of analytical techniques to provide in situ process monitoring of large amounts of process and product data. The application of Artificial Intelligence (AI) and/or Machine Learning (ML) techniques allows rapid decision making that can optimise existing processes, and it has also been applied in the discovery of novel materials, synthetic pathways and chemicals. All this is contributing to an effective digitalisation of chemical and material synthetic processes from the laboratory to large‐scale industrial deployment.

This paper presents recent developments in the effective digitalisation of chemical synthetic processes which integrates continuous flow synthesis, analytics and artificial intelligence technologies. Specifically, this paper illustrates the emerging trend of process digitalisation through the advanced syntheses of materials with catalytic, optical and optoelectronic applications.
The value of routine bone marrow examination in patients with extranodal NK/T‐cell lymphoma staged with PET/CT
Authors: Yang Yong , Wang Ji‐Jin , Zhao Rui‐Zhi , Huang Cheng , Shi Gui‐Qing , Zheng Hao , Tang Tian‐Lan , Liao Si‐Qin , Chen Jin‐Hua , Shen Jian‐Zhen , Liu Ting‐Bo , Xu Ben‐Hua , Zhang Yu‐Jing
Published: October 2022

Background

Limited evidence supports the omission of routine bone marrow (BM) examination (biopsy and aspiration) in patients with nasal‐type extranodal NK/T‐cell lymphoma (ENKTCL). This study was aimed at assessing whether BM examination provides valuable information for positron emission tomography/computed tomography (PET/CT)–based staging in this patient population.

Patients and Methods

Patients newly diagnosed with ENKTCL who underwent initial staging with both PET/CT and BM examination between 2013 and 2020 were retrospectively identified in two Chinese institutions. Overall, 742 patients were included; the BM examination was positive in 67 patients.

Results

Compared with BM biopsy alone, the combination of BM biopsy and aspiration assessment did not afford any additional diagnostic value. No patient with a positive BM biopsy was found to have early‐stage disease by PET/CT. BM biopsy or PET/CT led to upstaging from stage III to IV as a result of BM involvement in 21 patients. In 135 patients with distant organ involvement, BM involvement was associated with worse overall survival (OS) and progression‐free survival (PFS) compared with the corresponding durations in patients without BM involvement (2‐year OS: 35.9% vs. 60.4%, p < .001; PFS: 26% vs. 40.7%, p = .003). No difference in survival was noted between groups judged positive based on PET/CT and BM biopsy.

Conclusion

Compared with aspiration, BM biopsy led to the detection of more BM lesions. Baseline PET/CT can be safely used to exclude BM involvement in early‐stage disease. Overall, routine BM examination affords diagnostic or prognostic value over PET/CT in patients with advanced‐stage nasal‐type ENKTCL.
Effect of Oriented Assemblies of SrTiO3 with Exposed (200) Plane on Photocatalytic Hydrogen Evolution
Authors: Vijay Aditi , Priya S Shanmuga , Terranova Umberto , Maity Madhusudan , Vaidya Sonalika
Published: October 2022

This study aims to investigate the effect of crystallographic orientation of the assemblies of SrTiO3 (formed on a glass substrate) on photocatalytic hydrogen evolution. For this, we have successfully synthesized nanocubes of SrTiO3 through a hydrothermal method. Assemblies on the glass substrate were formed by using functionalized/non‐functionalized oxide over functionalized/non‐functionalized glass substrate. The functionalization of the oxides and the glass substrate was carried out using IPTMS (3‐iodopropyltrimethoxy silane). Uniform assemblies of nanocubes of SrTiO3 with the particles oriented with (200) plane as the exposed surface were formed. The performance of these oriented assemblies was evaluated for photocatalytic hydrogen evolution reaction. Theoretical studies were carried out to understand the mechanism of photocatalytic hydrogen evolution over the oriented assemblies of SrTiO3.
Comparison of CdS Thin Films Prepared by the Traditional and Shallow Chemical Bath Deposition Method
Authors: Alvarado Jose Alberto , Ramírez‐Velasco S. , Reyes‐Gracia A. , Vigil‐Galán O. , Hernández‐Calderón V. , Cuapio Rene Perez , Roque J. , Arce‐Plaza A.
Published: October 2022

Chemical bath deposition (CBD) is one of the most used methods for CdS thin films deposition, but nevertheless, the by‐product from the reaction constitutes a source of gross contamination. To reduce these residues, shallow‐CBD (S‐CBD) is proposed as an alternative method. Albeit this method only requires 25% of solution compared to traditional‐CBD (T‐CDB), making this method suitable to be used in device fabrication technology. In this work, a comparison between both techniques idone through the optical (UV–vis), structural (X‐ray diffraction), morphology (scanning electron microscopy), and electrical properties such as four‐point resistivity and temperature–current dependence from CdS layers analysis, deposited by S‐CBD and T‐CBD, is reported.
CSR variability, managerial risk aversion, and hostile takeover threats
Authors: Likitapiwat Takakorn , Treepongkaruna Sirimon , Jiraporn Pornsit
Published: October 2022

The quiet life hypothesis argues that, when managers are insulated from the discipline of the takeover market, they tend to be less ambitious, avoiding risky and complex investments that require more managerial time and efforts. In other words, they prefer to live a “quiet life.” Exploiting a distinctive measure of takeover vulnerability principally based on the staggered passage of state legislations, we investigate the quiet life hypothesis using corporate social performance. Our results show that more takeover exposure significantly raises CSR variability, consistent with the prediction of the quiet life hypothesis, where managers adopt riskier CSR strategies and investments when they are more exposed to takeover threats, resulting in higher CSR volatility. Specifically, an increase in takeover exposure by one standard deviation raises CSR variability by 5.23%–6.73%. Additional analysis corroborates the results, including propensity score matching, instrumental‐variable analysis, Lewbel's heteroscedastic identification, and entropy balancing.
A dual‐band semi‐circular patch antenna for WiMAX and WiFi‐5/6 applications
Authors: Paul Liton Chandra , Saha Himel Kumar , Rani Tithi , Azim Rezaul , Islam Mohammad Tariqul , Samsuzzaman Md
Published: October 2022

A semi‐circular patch antenna (SCPA) is designed for WiMAX and WiFi‐5/6 communications. The footprint of the proposed SCPA is only 30 × 40 × 1.575 mm3, which is composed of a semi‐circular patch and a partial ground plane. The main strength of this work is that the estimated wide dual‐frequency span of 2.39–3.75 GHz and 5.39–7.18 GHz are contributed with two sharp resonances at 2.77 and 6.46 GHz, respectively. The proposed SCPA has been practically tested after fabrication. The measured results confirm that the designed antenna achieved the bandwidth necessity for WiMAX 1.5 (2.5–2.69 GHz), WiMAX 2 (3.4–3.6 GHz), WiFi‐5 (5.15–5.85 GHz) and WiFi‐6 (5.925–7.125 GHz). In the two resonance frequencies of 2.77 and 6.46 GHz, the designed antenna achieved a gain of 2.558 and 4.109 dB, respectively. In addition, the SCPA also manifests good radiation properties and achieves an average efficiency of more than 90%. A professional version of the 3D electromagnetic simulator is utilized to examine the effect of diffident parameters and model the tested antenna.
Diagnostic pitfalls and the value of fluorescence in situ hybridization as an adjunct to cytologic evaluation of bile duct brushings in patients with primary sclerosing cholangitis
Authors: Selvaggi Suzanne M.
Published: October 2022

Background

Primary sclerosing cholangitis (PSC) can present diagnostic difficulties on bile duct brushings as cytologic features mimicking adenocarcinoma may exist. This study evaluates the role of fluorescence in‐situ hybridization (FISH) as an adjunct to cytologic evaluation.

Methods

From January 1, 2020, through December 31, 2021, 308 bile duct brushings were processed of which 34 (11%) were malignant, 25 (8%) were suspicious, 36 (12%) were atypical, 204 (66%) were negative and 10 (3%) were nondiagnostic. Follow‐up biopsies/resections were performed in the 95 cases with diagnostic cytology (atypical/suspicious/malignant) of which 12 (13%) showed primary sclerosing cholangitis and form the basis of this study. Cytologic, histologic and FISH findings are presented and discussed.

Results

Of the 12 bile duct brushings 4 (34%) were positive/suspicious for adenocarcinoma and 8 (66%) showed atypical epithelial cells. FISH was positive in 2/4 positive/suspicious brushings and negative in the remaining 2 brushings. Histologic findings confirmed the FISH results. The cytologic features of the 2 false positive cases overlapped those of adenocarcinoma. Two of the 8 bile duct brushings with atypical epithelial cells were positive/suspicious for adenocarcinoma on FISH analysis; findings confirmed on histologic follow‐up. The remaining 8 patients underwent surveillance for the development of adenocarcinoma with repeat bile duct brushings, FISH analysis and biopsies, each of which has been negative to date.

Conclusion

FISH, as an adjunct to the cytologic evaluation of bile duct brushings from patients with PSC, plays a role in improving diagnostic accuracy and serves as a surveillance tool for the potential development of adenocarcinoma.
Biogeographic multi‐species occupancy models for large‐scale survey data
Authors: Socolar Jacob B. , Mills Simon C. , Haugaasen Torbjørn , Gilroy James J. , Edwards David P.
Published: October 2022

Ecologists often seek to infer patterns of species occurrence or community structure from survey data. Hierarchical models, including multi‐species occupancy models (MSOMs), can improve inference by pooling information across multiple species via random effects. Originally developed for local‐scale survey data, MSOMs are increasingly applied to larger spatial scales that transcend major abiotic gradients and dispersal barriers. At biogeographic scales, the benefits of partial pooling in MSOMs trade off against the difficulty of incorporating sufficiently complex spatial effects to account for biogeographic variation in occupancy across multiple species simultaneously. We show how this challenge can be overcome by incorporating preexisting range information into MSOMs, yielding a “biogeographic multi‐species occupancy model” (bMSOM). We illustrate the bMSOM using two published datasets: Parulid warblers in the United States Breeding Bird Survey and entire avian communities in forests and pastures of Colombia's West Andes. Compared with traditional MSOMs, the bMSOM provides dramatically better predictive performance at lower computational cost. The bMSOM avoids severe spatial biases in predictions of the traditional MSOM and provides principled species‐specific inference even for never‐observed species. Incorporating preexisting range data enables principled partial pooling of information across species in large‐scale MSOMs. Our biogeographic framework for multi‐species modeling should be broadly applicable in hierarchical models that predict species occurrences, whether or not false absences are modeled in an occupancy framework.
Life stage and taxonomy the most important factors determining vertebrate stoichiometry: A meta‐analysis
Authors: May Emily M. , El‐Sabaawi Rana W.
Published: October 2022

Whole‐body elemental composition is a key trait for determining how organisms influence their ecosystems. Using mass‐balance, ecological stoichiometry predicts that animals with higher concentrations of element X will selectively retain more X and will recycle less X in their waste than animals with lower X concentrations. These animals will also store high quantities of X during their lives and after their deaths (prior to full decomposition). Vertebrates may uniquely impact nutrient cycling because they store high quantities of phosphorus (P) in their bones. However, vertebrates have diverse body forms and invest variably in bone. Current analyses of vertebrate elemental content predominately evaluate fishes, typically neglecting other vertebrates and leaving much of the diversity unexplored. We performed a systematic review and identified 179 measurements of whole‐body percent phosphorus (%P), percent nitrogen (%N), and N to P ratio (N:P) from 129 unique species of non‐fish vertebrates (amphibians: 39 species; reptiles: 19 species; birds: 27 species; mammals: 46 species). We found that %P (mean: 1.94%; SD [standard deviation] = 0.77) and N:P (mean: 12.52) varied with taxonomy and life stage, while %N (mean: 10.51%; SD = 3.25) varied primarily with taxonomy. Habitat, diet, and size had small and inconsistent effects in different groups. Our study highlights two research gaps. Life stage, which is frequently neglected in stoichiometric studies, is an important factor determining vertebrate %P. Furthermore, amphibians dominate our dataset, while other vertebrate taxa are poorly represented in the current literature. Further research into these neglected vertebrate taxa is essential.
Environmental conditions lead to shifts in individual communication, which can cause cascading effects on soundscape composition
Authors: Pandit Meelyn M. , Bridge Eli S. , Ross Jeremy D.
Published: October 2022

Climate change is increasing aridity in grassland and desert habitats across the southwestern United States, reducing available resources and drastically changing the breeding habitat of many bird species. Increases in aridity reduce sound propagation distances, potentially impacting habitat soundscapes, and could lead to a breakdown of the avian soundscapes in the form of loss of vocal culture, reduced mating opportunities, and local population extinctions. We developed an agent‐based model to examine how changes in aridity will affect both sound propagation and the ability of territorial birds to audibly contact their neighbors. We simulated vocal signal attenuation under a variety of environmental scenarios for the south, central semi‐arid prairies of the United States, ranging from contemporary weather conditions to predicted droughts under climate change. We also simulated how changes in physiological conditions, mainly evaporative water loss (EWL), would affect singing behavior. Under contemporary and climate change‐induced drought conditions, we found that significantly fewer individuals successfully contacted all adjacent neighbors than did individuals in either the contemporary or predicted climate change conditions. We also found that at higher sound frequencies and higher EWL, fewer individuals were able to successfully contact all their neighbors, particularly in drought and climate change drought conditions. These results indicate that climate change‐mediated aridification may alter the avian soundscape, such that vocal communication no longer effectively functions for mate attraction or territorial defense. As climate change progresses, increased aridity in current grasslands may favor shifts toward low‐frequency songs, colonial resource use, and altered songbird community compositions.
No evidence for environmental filtering of cavity‐nesting solitary bees and wasps by urbanization using trap nests
Authors: Xie Garland , Sookhan Nicholas , Carscadden Kelly A. , MacIvor James Scott
Published: October 2022

Spatial patterns in biodiversity are used to establish conservation priorities and ecosystem management plans. The environmental filtering of communities along urbanization gradients has been used to explain biodiversity patterns but demonstrating filtering requires precise statistical tests to link suboptimal environments at one end of a gradient to lower population sizes via ecological traits. Here, we employ a three‐part framework on observational community data to test: (I) for trait clustering (i.e., phenotypic similarities among co‐occurring species) by comparing trait diversity to null expectations, (II) if trait clustering is correlated with an urbanization graient, and (III) if species' traits relate to environmental conditions. If all criteria are met, then there is evidence that urbanization is filtering communities based on their traits. We use a community of 46 solitary cavity‐nesting bee and wasp species sampled across Toronto, a large metropolitan city, over 3 years to test these hypotheses. None of the criteria were met, so we did not have evidence for environmental filtering. We do show that certain ecological traits influence which species perform well in urban environments. For example, cellophane bees (Hylaeus: Colletidae) secrete their own nesting material and were overrepresented in urban areas, while native leafcutting bees (Megachile: Megachilidae) were most common in greener areas. For wasps, prey preference was important, with aphid‐collecting (Psenulus and Passaloecus: Crabronidae) and generalist spider‐collecting (Trypoxylon: Crabronidae) wasps overrepresented in urban areas and caterpillar‐ and beetle‐collecting wasps (Euodynerus and Symmorphus: Vespidae, respectively) overrepresented in greener areas. We emphasize that changes in the prevalence of different traits across urban gradients without corresponding changes in trait diversity with urbanization do not constitute environmental filtering. By applying this rigorous framework, future studies can test whether urbanization filters other nesting guilds (i.e., ground‐nesting bees and wasps) or larger communities consisting of entire taxonomic groups.