bluuebunny/crossref_metadata_2025 huggingface dataset:
Synthesis of Twisted [n]Cycloparaphenylene by Alkene Insertion
Authors: Terabayashi Tomoaki , Kayahara Eiichi , Zhang Yichen , Mizuhata Yoshiyuki , Tokitoh Norihiro , Nishinaga Tohru , Kato Tatsuhisa , Yamago Shigeru
Published: November 2022

Mono‐alkene‐inserted [n]cycloparaphenylenes 1 [(ene)‐[n]CPP] with n=6, 8, and 10, mono‐ortho‐phenylene‐inserted [6]CPP 2, and di‐alkene‐insertved [n]CPP 3 [(ene)2‐[n]CPP] with n=4, 6, and 8 were synthesized by fusing CPP precursors and alkene or ortho‐ phenylene groups through coupling reactions. Single‐crystal X‐ray diffraction analyses reveal that the strips formed by the π‐surfaces of 1 and 2 exhibited a Möbius topology in the solid state. While the Möbius topology in the parent 1 and 2 in solution was lost due to the free rotation of the paraphenylene unit even at low temperatures, ene‐[6]CPP 4 with eight 1‐pyrrolyl groups preserved the Möbius topology even in solution. Despite a twist, 1 has in‐plane conjugation and possesses a unique size dependence of the electronic properties: namely, the opposite size dependency of the HOMO–LUMO energy relative to conventional π‐conjugated molecules.
Reversible Switching CuII/CuI Single Sites Catalyze High‐rate and Selective CO2 Photoreduction
Authors: Zu Xiaolong , Zhao Yuan , Li Xiaodong , Chen Runhua , Shao Weiwei , Li Li , Qiao Panzhe , Yan Wensheng , Pan Yang , Xu Qian , Zhu Junfa , Sun Yongfu , Xie Yi
Published: November 2022

Herein, we first design a model of reversible redox‐switching metal–organic framework single‐unit‐cell sheets, where the abundant metal single sites benefit for highly selective CO2 reduction, while the reversible redox‐switching metal sites can effectively activate CO2 molecules. Taking the synthetic Cu‐MOF single‐unit‐cell sheets as an example, synchrotron‐radiation quasi in situ X‐ray photoelectron spectra unravel the reversible switching CuII/CuI single sites initially accept photoexcited electrons and then donate them to CO2 molecules, which favors the rate‐liming activation into CO2δ−, verified by in situ FTIR spectra and Gibbs free energy calculations. As an outcome, Cu‐MOF single‐unit‐cell sheets achieve near 100 % selectivity for CO2 photoreduction to CO with a high rate of 860 μmol g−1 h−1 without any sacrifice reagent or photosensitizer, where both the activity and selectivity outperform previously reported photocatalysts evaluated under similar conditions.
Mechanism of Capacitive Coupling of Proximal Electromagnetic Sources With Biological Bodies
Authors: Christ Andreas , Fallahi Arya , Neufeld Esra , Balzano Quirino , Kuster Niels
Published: November 2022

This study investigates the absorption of the induced E‐field in homogeneous biological tissue exposed to highly localized field sources in proximity of the body, such as the charged tips of antennas, where E‐field coupling dominates. These conditions are relevant for compliance testing of modern mobile phones where exposure is evaluated at small separation between radiators and the body. We derive an approximation that characterizes the decay of the induced E‐field in the tissue as a function of distance. The absorption is quantified in terms of the local specific absorption rate (SAR) at the tissue surface as a function of the charge at the antenna tip. The approximation is based on the analytical evaluation of the E‐fields of a charged disk under quasi‐static conditions. We validate this approximation using full‐wave simulations of dipoles. We demonstrate that the coupling mechanism of the E‐field is dominated by the perpendicular field component and that wave propagation need not be considered for the characterization of the exposure. The surface SAR decreases approximately with the fourth power of the distance and with the square of the ratio of the permittivities of the tissue and free‐space. The approximation predicts the induced maximum E‐field with an accuracy of better than 1.5 dB. © 2022 Bioelectromagnetics Society.
A comprehensive review on bio‐mimicked multimolecular frameworks and supramolecules as scaffolds for enzyme immobilization
Authors: Aggarwal Shalu , Ikram Saiqa
Published: November 2022

Immobilization depicts a propitious route to optimize the catalytic performances, efficient recovery, minimizing autocatalysis, and also augment the stabilities of enzymes, particularly in unnatural environments. In this opinion, supramolecules and multimolecular frameworks have captivated immense attention to achieve profound controllable interactions between enzyme molecules and well‐defined natural or synthetic architectures to yield protein bioconjugates with high accessibility for substrate binding and enhanced enantioselectivities. This scholastic review emphasizes the possibilities of associating multimolecular complexes with biological entities via several types of interactions, namely covalent interactions, host–guest complexation, interactions, intra/inter hydrogen bondings, electrostatic interactions, and so forth offers remarkable applications for the modulations of enzymes. The potential synergies between artificial supramolecular structures and biological systems are the primary concern of this pedagogical review. The majority of the research primarily focused on the dynamic biomolecule‐responsive supramolecular assemblages and multimolecular architectures as ideal platforms for the recognition and modulation of proteins and cells. Embracing sustainable green demeanors of enzyme immobilizations in a quest to reinforce site‐selectivity, catalytic efficiency, and structural integrality of enzymes are the contemporary requirements of the biotechnological sectors that instigate the development of novel biocatalytic systems.
Smart tools for antimicrobial peptides expression and application: The elastic perspective
Authors: Colomina‐Alfaro Laura , Marchesan Silvia , Stamboulis Artemis , Bandiera Antonella
Published: November 2022

In recent years, antimicrobial peptides (AMPs) have become a promising alternative to the use of conventional and chemically synthesized antibiotics, especially after the emergence of multidrug‐resistant organisms. Thus, this review aims to provide an updated overview of the state‐of‐the‐art for producing antimicrobial peptides fused or conjugated with the elastin‐like (ELP) peculiar carriers, and that are mostly intended for biomedical application. The elastin‐like biopolymers are thermosensitive proteins with unique properties. Due to the flexibility of their modular structure, their features can be tuned and customized to improve the production of the antimicrobial domain while reducing their toxic effects on the host cells. Both fields of research faced a huge rise in interest in the last decade, as witnessed by the increasing number of publications on these topics, and several recombinant fusion proteins made of these two domains have been already described but they still present a limited variability. Herein, the approaches described to recombinantly fuse and chemically conjugate diverse AMPs with ELPs are reviewed, and the nature of the AMPs and the ELPs used, as well as the main features of the expression and production systems are summarized.
Cross‐sectional study of the quality of randomized control trials on problem‐based learning in medical education
Authors: Zhang Xiaoli , Zhang Guanran , Liu Jing , Song Xinyi , Li Manyu , Zhang Yuhua , Hao Jing , Wang Chuanzheng , Li Han
Published: November 2022

Problem‐based learning (PBL) is increasingly being used in medical education globally, but its effectiveness in teaching remains controversial. A randomized controlled trial (RCT) is the method of choice for evaluating its effectiveness. The quality of an RCT has a significant effect on this evaluation, but to date we have not seen an assessment of the quality of RCTs for PBL. Two researchers searched MEDLINE and EMBASE for RCTs addressing PBL in medical education. The overall quality of each report was measured on a 28‐point overall quality score (OQS) based on the 2010 revised Comprehensive Standards for Reporting and Testing (CONSORT) Statement. Furthermore, to study the key factors affecting OQS more effectively, a linear regression model of those factors was established using SPSS. After literature screening, 30 RCTs were eventually included and analyzed. The median OQS was 15 (range, 7–20), which meant that half of the items in the revised 2010 CONSORT statement were poorly reported in at least 40% of the RCTs analyzed. The regression model showed that the year of publication of RCTs and the impact factors of the journals in which they were published were the main factors affecting OQS. The overall quality of reporting of RCTs on PBL teaching in medical education was not satisfactory. Some RCTs were subjectively selective in reporting certain items, leading to heterogeneity in quality. It is expected that statisticians will develop new standards more suitable for evaluating RCTs related to teaching research and that editors and peer reviewers will be required to review the relevant RCTs more strictly.
Two‐Helix Supramolecular Proteomimetic Binders Assembled via PNA‐Assisted Disulfide Crosslinking
Authors: Imiołek Mateusz , Winssinger Nicolas
Published: November 2022

Peptidic motifs folded in a defined conformation are able to inhibit protein‐protein interactions (PPIs) covering large interfaces and as such they are biomedical molecules of interest. Mimicry of such natural structures with synthetically tractable constructs often requires complex scaffolding and extensive optimization to preserve the fidelity of binding to the target. Here, we present a novel proteomimetic strategy based on a 2‐helix binding motif that is brought together by hybridization of peptide nucleic acids (PNA) and stabilized by a rationally positioned intermolecular disulfide crosslink. Using a solid phase synthesis approach (SPPS), the building blocks are easily accessible and such supramolecular peptide‐PNA helical hybrids could be further coiled using precise templated chemistry. The elaboration of the structural design afforded high affinity SARS CoV‐2 RBD (receptor binding domain) binders without interference with the underlying peptide sequence, creating a basis for a new architecture of supramolecular proteomimetics.
Establishment of an in vitro model from the vulnerable fish species Coregonus maraena (maraena whitefish): Optimization of growth conditions and characterization of the cell line
Authors: Kaya Yagmur , Tönißen Katrin , Verleih Marieke , Rebl Henrike , Grunow Bianka
Published: November 2022

In this study, a cell line of the fish species Coregonus maraena was produced for the first time. C. maraena is an endangered species, and studies indicate that this fish species will be affected by further population declines due to climate change. This cell line, designated CMAfin1, has been maintained in Leibovitz L‐15 supplemented with 10% fetal bovine serum over 3 years. Both subculturing and storage (short‐term storage at −80°C and long‐term storage in liquid nitrogen) was successful. Cell morphology and growth rate were consistent from passage 10 onwards. Immunocytochemical examination of cellular proteins and matrix components confirmed the mechanical stability of the cells. Actin, fibronectin, vinculin, vimentin, and tubulin are present in the cells and form a network. In addition, the transport of molecules is ensured by the necessary proteins. Gene expression analysis showed a shift in the expressions of stem cell markers between younger and higher passages. While SOX2 and IGF1 were more highly expressed in the seventh passage, SOX9 and IGF2 expressions were significantly increased in higher passages. Therefore, the stable cell culture CMAfin1 can be used for applied analysis to further understand the cell physiology of C. maranea.
Two‐electron Oxygen Reduction Reaction on Nanocarbon Materials for Onsite H2O2 Electrochemical Synthesis: Selectivity Enhancement via Oxygen and Nitrogen co‐Doping
Authors: Lu Xingyu , Zhang Jialong , Dou Jing , Dai Xueya , Qi Wei
Published: November 2022

Production of hydrogen peroxide (H2O2) through the two‐electron pathway of electrocatalytic oxygen reduction reaction is a green and convenient route, which has attracted considerable attention in the field of energy and catalysis. However, the high cost of noble Pt‐based catalyst and H2O2 selectivity and stability need to be further refined for large‐scale production. Herein, we reported a O, N co‐doped mesoporous nanocarbon catalyst. The introduction of nitrogen atoms increases the electrochemically active surface area, promotes the mass transfer capacity, and reduces the impedance of electron transfer. The absolute contents of each oxygen and nitrogen functional group in the catalyst were calculated according to XPS, which reveals that pyridine nitrogen and pyrrole nitrogen might contribute most to the two‐electron electrocatalytic oxygen reduction reaction. In addition, O, N co‐doping significantly promoted the two‐electron pathway of electrocatalytic oxygen reduction, and the selectivity of hydrogen peroxide reached 93 %. The present work provides a reference for the rational design of functional groups of electrocatalysts for highly selective electrosynthesis of H2O2.
Principles of anti‐oppression: A critical analytic synthesis
Authors: Peters Harvey Charles , Luke Melissa
Published: November 2022

This study reports post‐structural qualitative research that critically examined, analyzed, and synthesized the anti‐oppression scholarship in counseling and related disciplines. The systematic Critical Analytic Synthesis resulted in the development of 10 principles of anti‐oppression. We discuss the principles in light of extant scholarship and identify limitations and implications.
Recent advances in solid‐state metal–air batteries
Authors: Sun Qi , Dai Lei , Luo Tingting , Wang Ling , Liang Feng , Liu Shan
Published: November 2022

Solid‐state metal–air batteries have emerged as a research hotspot due to their high energy density and high safety. Moreover, side reactions caused by infiltrated gases (O2, H2O, or CO2) and safety issues caused by liquid electrolyte leakage will be eliminated radically. However, the solid‐state metal–air battery is still in its infancy, and many thorny problems still need to be solved, such as the large resistance of the metal/electrolyte interface and catalyst design. This review will summarize some important progress and key issues for solid‐state metal–air batteries, especially the lithium‐, sodium‐, and zinc‐based metal–air batteries, clarify some core issues, and forecast the future direction of the solid‐state metal–air batteries.
Stabilization of Potent Co(II)‐based Lewis Acids with Weakly Basic Ligands
Authors: Jadwiszczak Michał J. , Malinowski Przemysław J.
Published: November 2022

Pairing cations with weakly coordinating anions (WCAs) often renders them highly Lewis‐acidic and extremely reactive. Although these features are often desirable, excessive reactivity of a cation may lead to decomposition of solvents or WCAs, hindering isolation, storage and practical use of such species. In an attempt to mitigate the problem, we introduce a series of readily available novel Co(II)‐WCA salts with the metal center stabilized by weakly bound ligands: SO2, halogenated acetonitriles and nitromethane with comprehensive characterization including structural, magnetic and spectral (IR) properties as well as thermal stability assessment. The use of these simple yet rarely encountered ligands yields mostly stable and highly Lewis‐acidic complexes, in some cases comparable to SbF5 according to calculated Fluoride Ion Affinities. Highly acidic character of the species is also reflected in observed reactivity. Since the most convenient route towards the Co(II) complexes leads through silver salts, the results are complemented with characterization of a series of novel Ag(I) complexes with abovementioned ligands. Experimental part is backed with DFT calculations which gives insight into the structure and energetics of presented Co(II) complexes and shows that Co(II) center is available for substrates like olefins. This makes them good candidates for catalysts in reactions requiring the presence of Lewis acids.
Bimetallic Organic Framework‐Decorated Leaf‐like 2D Nanosheets as Flexible Air Cathode for Rechargeable Zn‐air Batteries
Authors: Li Jiajia , Huang Shuhong , Li Zhiyong , Zhao Xiaohui , Ouyang Bo , Kan Erjun , Zhao Jie , Zhang Wenming
Published: November 2022

Exploring highly active and robust self‐supporting air electrodes is the key for flexible Zn‐air batteries (FZABs). Therefore, we report a novel 3D structural bimetal‐based self‐supporting electrode consisting of hybrid Cu, Co nanoparticles co‐modified nitrogen‐doped carbon nanosheets on carbon cloth (Cu, Co NPs@NCNSs/CC), which displays excellent electrochemical activity and durability of the oxygen reduction/evolution reaction (ORR/OER). The Cu, Co NPs@NCNSs/CC exhibits a half‐wave potential of 0.863 V toward ORR and an overpotential of 225 mV at 10 mA cm−2 toward OER, owing to its exposed bimetallic sites accelerating the kinetic reaction. In addition, the density functional theory calculation proves that the synergistic effect of CuCo sites favors ORR and OER. Hence, the FZABs based on Cu, Co NPs@NCNSs/CC achieve a larger open‐circuit potential (1.45 V), higher energy density (130.10 mW cm−2), and outstanding cycling stability. All remarkable results demonstrate valuable enlightenment for seeking advanced energy materials of portable and wearable electronics.
CFD‐Aided and Experimental Characterization of Bioreactors under Low Power Input Conditions
Authors: Keller Marc C. , Witzel Johannes , Tscheschke Bernd , Jurgait Michael , Baas Markus , Poggel Martin , Gottfried Michael
Published: November 2022

The hydrodynamic characterization of bioreactors is an integral element in the industrial development of cell and gene therapy platforms where mild process conditions with low power inputs are desired. In this technology, modular single‐use equipment is frequently used for which accurate techniques to measure or predict scaling parameters, such as power input, are of high interest. In this work, computational fluid dynamics as well as two experimental approaches are used to determine the power input in a small‐scale bioreactor and validate the employed techniques. Particular attention is given to the implications arising from low‐speed operation with low power input conditions.
Exposure to statins post localized prostate cancer diagnosis and risk of metastasis among men who did not receive curative prostate cancer treatment
Authors: Habeshian Talar S. , Shu Yu‐Hsiang , Cannavale Kimberly L. , Slezak Jeff M. , Chien Gary W. , Vandeneeden Stephen K. , Chao Chun R.
Published: November 2022

Background

Few studies have evaluated the effect of statin exposure on metastasis risk among prostate cancer patients not receiving curative treatment.

Methods

We included men diagnosed with localized prostate cancer at an integrated health care system between 1997 and 2006 who did not receive curative treatment within 6 months of diagnosis. We followed these men until a metastatic event, disenrollment, death, or 12/31/2016. We collected all data from electronic health records supplemented by chart review. We used Cox regressions to examine the association between post‐diagnostic statin exposure and metastasis, controlling for clinical characteristics and pre‐diagnostic statin exposure.

Results

There were 4245 men included. Mean age of diagnosis was 68.02 years. 46.6% of men used statins after prostate cancer diagnosis. During follow‐up, 192 men developed metastasis (cumulative incidence rate: 14.5%). In the adjusted Cox model, statin use post‐prostate cancer diagnosis was not significantly associated with a metastatic event (HR = 0.97, 95% CI = 0.69, 1.36). Pre‐diagnostic statin use was also not associated with development of metastasis (HR = 0.76, 95% CI = 0.53, 1.10). We did not observe a dose‐response for the proportion of person‐time at‐risk post‐prostate cancer diagnosis on statins (HR = 0.98 per 10% increase in person‐time exposed [95% CI = 0.93, 1.03]).

Conclusions

We did not find an inverse association between post‐diagnosis statin exposure and metastasis development in localized prostate cancer patients who did not receive active treatment. Our results did not offer support to the chemopreventive potential of post‐diagnostic statin use among men on active surveillance.
Understanding spatially explicit capture–recapture parameters for informing invasive animal management
Authors: Anderson Dean P. , Rouco Carlos , Latham Maria Cecilia , Warburton Bruce
Published: November 2022

Spatially explicit capture–recapture modeling is used to estimate population density to enhance our ecological understanding and management of wildlife populations. The two primary parameters estimated in the capture process of these models are σ and g0. The σ parameter is the standard deviation of a bivariate normal home range kernel (indicating home range size), while g0 is the probability of capture by a device placed at the home range center. These parameters are being increasingly generalized and used in simulation models to predict the detection or capture rates of invasive animals to inform management strategies. Given the sensitivity of simulation model predictions to parameter values, we performed an analysis of preexisting GPS telemetry and trapping data of invasive brushtail possums (Trichosurus vulpecula) across New Zealand to address the following three questions. First, how does σ vary with population density, habitat, and age–sex class? Second, how is g0 influenced by home range size (i.e., σ) and trap type? Third, how does the predicted probability of capture or detection of individuals vary with σ, different trap types and trap densities? We used data from 180 possums across 18 sites to develop a Bayesian hierarchical model. Results showed that σ decreased with increasing population density and increasing area of productive grassland. There was a strong negative relationship between σ and g0, and g0 was highest for cage traps and lowest for raised leg‐hold traps. Despite the potential compensatory inverse effect of g0 with σ, the probability of capturing a randomly located possum by a large array of traps increased with increasing σ. Results show that selection of σ for predictive simulation modeling should begin with an estimated population density. The associated g0 should then be identified as a function of σ, and stochasticity should be incorporated to account for inter‐individual variability. The approach employed here provides a methodology for estimating density, σ, and g0 using trapping and telemetry data, and our results will help guide careful consideration of density, σ, and g0 to improve the accuracy of simulation studies across species.
Field‐Induced SMM Behaviour of Tetranuclear Coordination Clusters with a Cubane [Ni4O4] Core
Authors: Sarkar Arijit , Basu Debayan , Gómez‐García Carlos J. , Nayek Hari Pada
Published: November 2022

Two tetranuclear Ni(II) complexes: [Ni4(HL1)4] ⋅ H2O (1) and [Ni4(HL2)4] ⋅ 1.5 dmf (2) where dmf=dimethylformamide, H3L1=4‐(tert‐butyl)‐2‐(((2‐hydroxy‐5‐nitrophenyl)imino)methyl)‐6‐(hydroxymethyl)phenol and H3L2=4‐(tert‐butyl)‐2‐(hydroxymethyl)‐6‐(((2‐hydroxyphenyl)‐imino)methyl)phenol, have been prepared and characterized by single crystal X‐Ray diffraction, elemental analysis and FT‐IR spectroscopy. The solid‐state structures reveal the formation of highly symmetric and asymmetric [Ni4O4] cubane cores in complexes 1 and 2, respectively. Extensive magnetic studies show that both complexes present ferromagnetic exchange interactions between the Ni(II) ions within the cubane core with g=2.113(3), J1=−7.89(8) cm−1, J2=13.3(1) cm−1 and |D|=11.3(4) cm−1 (for 1) and g=2.206(4), J1=1.0(1) cm−1, J2=7.8(1) cm−1 and |D|=8.7(2) cm−1 (for 2). The large anisotropy, high ground spin state (arising from the ferromagnetic coupling) and the good isolation of the clusters provided by the Schiff base ligands, give rise to the first examples of field‐induced single‐molecule magnets (FI−SMM) in Ni4O4 clusters and to the highest energy barrier reported to date in a Ni4O4 cluster.
A Golgi Apparatus‐Targetable Probe Based on Lanthanide Complexes for Ratiometric Time‐Gated Luminescence Detection of Hydrogen Sulfide
Authors: Kong Deshu , Song Bo , Yuan Jingli
Published: November 2022

Development of bioanalytical methods for selective and accurate detection of H2S in living samples is essential for understanding the pathological and physiological functions of this gasotransmitter in biological systems. Here we report a Golgi apparatus‐targetable lanthanide complex‐based luminescent probe, Golgi‐ABTTA‐Eu3+/Tb3+, that can be used for accurately determining H2S in aqueous solution and living cells via the ratiometric time‐gated luminescence (RM‐TGL) technique. This probe is composed of 2,2′:6′,2′′‐terpyridine‐Eu3+/Tb3+ mixed complexes as the luminophore, 4‐azidobenzyl‐ether as the responsive moiety, and sulfanilamide as the Golgi apparatus‐targeting moiety. Upon reaction with H2S, accompanied by the cleavage of 4‐azidobenzyl group from the probe molecule, the long‐lived emission of Tb3+ complex at 540 nm is significantly enhanced, while that of Eu3+ complex at 610 nm is obviously reduced. It was noted that the I540/I610 ratio increased by 8.8 times after the probe was exposed to H2S, which enabled H2S to be detected with RM‐TGL method. After being incubated with living cells, the probe molecules were selectively accumulated in the Golgi apparatus, which allowed H2S in the Golgi apparatus to be successfully imaged in RM‐TGL mode.
First Total Synthesis of the Benzotropolone/Bis(pulvinone) Natural Product Aurantricholone Exploiting New Strategies for Establishing Benzotropolones andZ‐Configured Pulvinones
Authors: Koblischek Philip , Brückner Reinhard
Published: November 2022

Aurantricholone as well as its calcium and lithium salts, all of which represent the coloring principle of the fungusTricholoma aurantium, were synthesized for the first time, namely in 15 steps, 10 of which were our longest linear sequence. We developed an access to benzotropolones after dibromocyclopropanating alkyl or silyl enol ethers of 1‐tetralones. Successive treatments with DMAP‐N‐oxide and Ac2O effected ring‐enlargement, oxidation, and acetylation.O‐acetyl‐1‐bromo‐3,4‐dimethoxybenzotropolone obtained thereby – similarly as unsubstituted benzotropolone – was brominated at C‐8 in two steps by adopting our recently published bromination protocol for otherwise unsubstitutedO‐acetylbenzotropolone. Thereafter, a double and doublyZ‐selective Suzuki‐coupling with a newly introduced boronate established theO‐methylated pulvinone moiety as well as theO‐methylated “pulvinone‐like” motif of what altogether equaled the completed aurantricholonescaffold. Its deprotection (two steps) furnished the title compound either as its protonated form or its calcium or lithium salt.
Sequential spatially balanced sampling
Authors: Jauslin Raphaël , Panahbehagh Bardia , Tillé Yves
Published: November 2022

Sequential sampling occurs when an entire population is unknown in advance and data are received one by one or in groups of units. This article proposes a new algorithm to sequentially select a balanced sample. The algorithm respects equal and unequal inclusion probabilities. The method can also be used to select a spatially balanced sample if the population of interest contains spatial coordinates. A simulation study is proposed, and the results show that the proposed method outperforms other methods.
Removal of asphaltene by solid‐phase iron exchanged bentonite
Authors: Jajin Roza Ghahramani , Ghorbanpour Mohammad
Published: November 2022

The purpose of this study was to modify bentonite (B) by iron using the solid‐phase ion exchange method to enhance the asphaltene adsorption. According to the scanning electron microscope (SEM) and x‐ray diffraction analysis (XRD) results, after solid‐state ion exchange, the structure of parent bentonite was changed slightly. An energy‐dispersive x‐ray analysis (EDX) showed that after ion exchange, the iron contents of bentonite increased from 0.6% to 1.6% w/w. Bentonite modification with iron increases asphaltene adsorption capacity (about 60%) compared to parent bentonite. Optimal adsorbent conditions for adsorption of asphaltene are 100 ppm concentration, 5 g/L adsorbent, and 60 min contact time. Adsorbent behavior showed that the adsorption kinetics and isotherm are in good agreement with the pseudo‐second‐order model and the Langmuir equation.
Experimental investigation of high‐pressure hydrogen gas jet impingement characteristics of single‐hole cylindrical injector
Authors: Lei Yan , Zhang Ao , Zhou Dingwu , Qiu Tao , Qin Chao
Published: November 2022

High‐pressure hydrogen direct injection technology can enable an internal combustion engine to attain high thermal efficiency and discharge clean emissions; hence, the advantages provided by hydrogen jet impingement are crucial. This paper presents an experimental investigation of the high‐pressure hydrogen direct injection from a single‐hole cylindrical injector. A test rig with a spring set was designed based on the impulse conservation law to test important high‐pressure hydrogen jet impingement parameters, such as jet impingement force and impulse. The results show that the hydrogen gas jet exhibits a two‐zone behavior. In Zone I (near‐field dynamic region), the jet impulse is not conservative, and the jet characteristic parameters (jet impingement force and impulse) fluctuate—first decreasing and then increasing. In Zone II, the jet impulse is conservative. This two‐zone jet feature is induced by shockwaves because a high‐pressure hydrogen jet with a high nozzle pressure ratio reaches its sonic speed at the nozzle outlet. The Mach disk height is the inflection point of these two zones. Moreover, the hydrogen injection pressure has a considerable influence on the gas jet. As the injection pressure increases, the hydrogen jet impingement force and impulse increase. Both jet parameters have a linearly increasing relationship with injection pressure.
Holocene coastal evolution and environmental changes in the lower Río Guadiaro valley, with particular focus on the Bronze to Iron Age harbour ‘Montilla’ of Los Castillejos de Alcorrín (Málaga, Andalusia, Spain)
Authors: May Simon Matthias , Brückner Helmut , Norpoth Maike , Pint Anna , Wolf Dennis , Brill Dominik , Martín César León , Stika Hans‐Peter , Padilla José Suárez , Moret Pierre , Marzoli Dirce
Published: November 2022

Phoenicians were the first to systematically develop the area surrounding the Strait of Gibraltar at the end of the 9th century B.C. Following pioneering studies in the Río Guadiaro estuary (Málaga/Cádiz) in the 1980s, a German‐Spanish cooperation project focussed on the role of indigenous people in the Phoenician colonisation trading networks at Los Castillejos de Alcorrín (Manilva, Málaga), one of the most important Early Iron Age settlements in southwestern Iberia. In the recent past, combined with systematic archaeological surveys, geoarchaeological research embedded in the interdisciplinary project ‘Archeostraits’ aimed at (i) deciphering palaeoenvironmental and coastal changes in the surroundings of Los Castillejos de Alcorrín throughout the mid‐ to late Holocene; (ii) constraining palaeoenvironmental conditions during early Phoenician colonisation; and (iii) better understanding human–environment interactions during the Final Bronze and Early Iron Age (i.e., end of 9th and 8th centuries B.C.). Coring transects along the Río Guadiaro allowed for differentiating successive palaeoenvironments and for establishing a chrono‐stratigraphy for the Holocene sedimentary infill of the valley. Based on these results, the deposition of shallow marine sands, overlying deltaic deposits of alternating sand and mud, and the subsequent development of lagoonal conditions in the lower Guadiaro valley took place before the Phoenicians established the first settlements along the coast.
Recreational marijuana laws and the misuse of prescription opioids: Evidence from National Survey on Drug Use and Health microdata
Authors: Ali Mir M. , McClellan Chandler , Mutter Ryan , Rees Daniel I.
Published: November 2022

Several studies have concluded that legalizing medical marijuana can reduce deaths from opioid overdoses. Drawing on micro data from the National Survey on Drug Use and Health, a survey uniquely suited to assessing patterns of substance use, we examine the relationship between recreational marijuana laws (RMLs) and the misuse of prescription opioids. Using a standard difference‐in‐differences (DD) regression model, we find that RML adoption reduces the likelihood of frequently misusing prescription opioids such as OxyContin, Percocet, and Vicodin. However, using a two‐stage procedure designed to account for staggered treatment and dynamic effects, the DD estimate of relationship between RML adoption and the likelihood of frequently misusing prescription opioids becomes positive. Although event study estimates suggest that RML adoption leads to a decrease in the frequency of prescription opioid abuse, this effect appears to dissipate after only 2 or 3 years.
Formal care of the elderly and health outcomes among adult daughters
Authors: Abrahamsen Signe A. , Grøtting Maja Weemes
Published: November 2022

Health‐care expenditures and the demand for caregiving are increasing concerns for policy makers. Although informal care to a certain extent may substitute for costly formal care, providing informal care may come at a cost to caregivers in terms of their own health. However, evidence of causal effects of care responsibilities on health is limited, especially for long‐term outcomes. In this paper, we estimate short and long‐term effects of a formal care expansion for the elderly on the health of their middle‐aged daughters. We exploit a reform in the federal funding of formal care for Norwegian municipalities that caused a greater expansion of home care provision in municipalities that initially had lower coverage rates. We find that expanding formal care reduced sickness absence in the short run, primarily due to reduced absences related to musculoskeletal and psychological disorders. The reduction in sickness absence is concentrated among workers with little work flexibility (e.g., shift workers), whereas there are no effects for workers with more flexible jobs. We were unable to detect effects on long‐term health and healthcare utilization outcomes. Our results imply that sickness absence uptake could be hiding a need for more flexibility around work for people with caregiving responsibilities.
Understanding paediatric data standards challenges through academia‐industry partnerships: A conect4children (c4c) qualitative study
Authors: Sen Anando , Palmeri Avril , Lee Joanne , Hedley Victoria , Thuet Jacques , Lignon Perrine , Cotonnec Valerie , Leary Rebecca , Nally Sinéad , Straub Volker
Published: November 2022

Introduction

The conect4children (c4c) consortium was setup to facilitate the development of new drugs and therapies for paediatric populations and address key challenges associated with paediatric clinical trials. Two of the major adopting principles for c4c were academia‐industry partnership and data harmonisation and interoperability through common eCRF definitions. To understand the challenges arising out of these principles, the c4c team at Newcastle University conducted semi‐structured interviews with four c4c industry partners.

Methods

Each partner was asked 10 questions about the data standards used in their company, management and maintenance of data dictionaries, how they dealt with paediatric‐specific issues, major knowledge gaps and how academia could aid in bridging these gaps. Thematic analysis was performed to identify patterns in their answers.

Results

All companies use the Clinical Data Interchange Standards Consortium (CDISC) standards but face problems when certain terminology is not included in CDISC (e.g., paediatric‐specific terminologies). All companies were committed to interoperability and had strict policies about how additional terminology could be added to their dictionaries. Three of the four companies maintained a single dictionary but also had lighter versions for specific usage. The two major knowledge gaps identified from the interviews were handling of non‐CDISC terminology and maintenance of normal lab ranges in dictionaries.

Discussion

To address these gaps, c4c has been working on a four‐point plan including the development of a cross‐cutting paediatric dictionary and a paediatric user guide in collaboration with CDISC.
The existence of irrational most perfect magic squares
Authors: Chen Jingyuan , Wu Jinwei , Wu Dianhua
Published: November 2022

Let be a positive integer, be a magic square, where . is called most perfect magic square (MPMS for short) if , and . Let , where . is called rational if both and possess the property that the sums of the numbers in every row and every column are the same; otherwise, is said to be irrational. It was shown that there exists an MPMS if and only if and . In this paper, it is proved that there exists an irrational MPMS if and only if and .
Separation‐individuation from the community among religious Jewish teens in Israel
Authors: Ben Shlomo Shirley , Priel‐Moldovan Shlomit , Levy Drorit
Published: November 2022

We wished to understand the contribution of personal, family, and community factors to the risky behaviors (RBs) of religious Jewish teens in Israel, and whether sense of community belonging mediated the religious estrangement/RB association. A convenience sample comprised 645 adolescents aged 14–19 (420 female/225 male) from Israel's national‐religious sector was used in this study. Sociodemographic characteristics, self‐esteem, future orientation, degree of religious estrangement, perceived parental acceptance, and sense of community belonging were reported. Being a male, older, and living in a rural community were associated with more RBs, as were higher religious estrangement and less acceptance from the mother. Sense of community was found to partially mediate the religious estrangement/RB association. We extended Blos's conceptualization of adolescence as a second separation‐individuation from the parents to include a parallel process of separation‐individuation from the community. The results may help in designing interventions for adolescents in religious communities.
Effects of nonsteroidal anti‐inflammatory drugs on ultrasound findings of mRNA COVID‐19 vaccine‐related lymphadenopathy
Authors: Akman Burcu , Kaya Ahmet Turan
Published: November 2022

Background

Previous studies reported axillary lymphadenopathy (LAP) as a side effect of the anti‐COVID‐19 vaccine. However, the effects of nonsteroidal anti‐inflammatory drug (NSAID)s on mRNA COVID‐19 vaccine‐related LAP have not been investigated.

Purpose

We aimed to investigate the effects of NSAIDs on temporal changes in sonographic findings of COVID‐19 vaccine‐associated LAP.

Methods

Our single‐center retrospective cohort study was conducted between October 2021 and April 2022. We included patients (aged ≥ 18 years) who applied with complaints of swelling in the ipsilateral axillary region after the COVID‐19 vaccine and had axillary region ultrasound (US) scans in electronic medical records within 30 days pre‐vaccination. The serial US was performed on the third, 10th, and 30th days post‐vaccination.

Results

Our study included 38 patients with a median age of 36 (IQR, 32–43) years. In 18 (47.4%) patients used NSAIDs in the early post‐vaccination period. Measurements of LAPs on ultrasound scans increased at day 3 post‐vaccination compared with pre‐vaccination both in NSAID users and non‐users. On the 10th day, a statistically insignificant decrease in LAP diameters and cortical thickness was observed in NSAID users compared to non‐users. On the post‐vaccination 30th day, axillary LAPs regressed similarly in both groups.

Conclusion

In our study, post‐vaccine NSAID use had no statistically significant effect on the course of axillary LAPs.
Is a specific T classification needed for extrahepatic intraductal papillary neoplasm of the bile duct (IPNB) type 2 associated with invasive carcinoma?
Authors: Mitake Yasuhiro , Onoe Shunsuke , Igami Tsuyoshi , Mizuno Takashi , Yamaguchi Junpei , Sunagawa Masaki , Watanabe Nobuyuki , Kawakatsu Shoji , Shimoyama Yoshie , Ebata Tomoki
Published: November 2022

Background

The necessity of a specific T classification for extrahepatic intraductal papillary neoplasm of the bile duct (IPNB) type 2, one of the precursors of cholangiocarcinoma (CC), remains unclear.

Methods

Patients who underwent resection for extrahepatic biliary tumors were reviewed. Relapse‐free survival (RFS) was compared between IPNB type 2 and CC, stratified by T classification.

Results

The cohort involved 443 patients with IPNB type 2 (n = 57) and CC (n = 386). In 342 patients with perihilar tumors, 5‐year RFS of IPNB type 2 and CC group was 49.8% versus 34.5% (p = .012), respectively. The RFS was 54.6% versus 47.2% (p = .110) for pT1‐2 tumors and 28.6% versus 22.7% (p = .436) for pT3‐4 tumors, respectively. In 92 patients with distal tumors, 5‐year RFS was 47.4% versus 42.1% (p = .678). The RFS was 68.2% versus 49.6% (p = .422) for pT1 tumors and 18.8% versus 38.3% (p = .626) for pT2‐3 tumors, respectively. Multivariate analysis identified that poor histologic grade (HR, 2.105; p < .001), microscopic venous invasion (HR, 1.568; p = .002), and nodal metastasis (HR, 1.547; p < .001) were independent prognostic deteriorators, while tumor type (IPNB type 2 vs. CC) was not.

Conclusions

Prognostic impact of IPNB type 2 was limited, suggesting unnecessity of a specific T classification for IPNB type 2 with invasive carcinoma.
Proton‐ and halogen‐induced cyclizations of 2‐(3‐butenyl)quinazolin‐4(3H)‐ones in the synthesis of pyrrolo[2,1‐b]‐ and pyrrolo[1,2‐а]quinazolinone derivatives
Authors: Vaskevych Ruslan I. , Savinchuk Nataliia O. , Vaskevych Alla I. , Rusanov Eduard B. , Bylina Denys V. , Kyrylchuk Andrii A. , Vovk Mykhailo V.
Published: November 2022

With the aim of finding efficient initiators for electrophilic cyclizations of 2‐(3‐butenyl)quinazolin‐4(3H)‐ones, their reactions with a number of acids (НCl, CF3COOH, H2SO4, polyphosphoric acid, CF3SO2OH) and halogenating agents (I2, Br2, NIS, NBS) have been studied. As established, CF3SO2OH can be successfully applied in the synthesis of linear 1‐methyl‐2,3‐dihydropyrrolo[2,1‐b]quinazolin‐9(1H)‐ones while the use of I2, NIS, or NBS readily leads to angular 1‐(halomethyl)‐2,3‐dihydropyrrolo[1,2‐a]quinazolin‐5(1H)‐ones.
Late Quaternary carbonate microbialite complex on the west shore of Great Salt Lake, Utah, USA
Authors: Pedone Vicki A. , Oviatt Charles G. , McGee David
Published: November 2022

A Late Pleistocene carbonate microbialite complex at Death Point on the western shore of Great Salt Lake, UT, USA, coats Paleozoic bedrock over an area 70 × 40 m. The complex largely formed while Lake Bonneville flooded the basin. Three distinct stratigraphic units separated by minor unconformities have been identified. The oldest unit (Unit 1) occurs over the entire outcrop area and ranges from 10 cm to 2.5 m in thickness. It precipitated as aragonite in the wave‐agitated shoreline environment during the early transgressive phase of Lake Bonneville and was subsequently pervasively dolomitized. Some near‐vertical faces of Unit 1 are overlain by an 8‐cm‐thick calcite microbialite (Unit 2) precipitated in deeper water of the regressive phase of Lake Bonneville. The youngest microbialite unit (Unit 3) overlies the calcite layer and precipitated as aragonite when the lake had dropped to levels similar to those of modern Great Salt Lake. The elevation, stratigraphy, distinct mineralogical layers, diagenetic history and long depositional span distinguish the Death Point microbialite complex from other microbialites in the Lake Bonneville/Great Salt Lake lacustrine system. The geochronology of Death Point microbialite will lead to modifications of the Lake Bonneville hydrograph, showing significantly lower lake levels in the early‐transgression stage.
Deep‐learning‐based automatic evaluation of rice seed germination rate
Authors: Zhao Jinfeng , Ma Yan , Yong Kaicheng , Zhu Min , Wang Yueqi , Luo Zhaowei , Wei Xin , Huang Xuehui
Published: November 2022

BACKGROUND

Rice is an important food crop plant in the world and is also a model plant for genetics and breeding research. The germination rate is an important indicator that measures the performance of rice seeds. Currently, solutions involving image processing techniques have substantial challenges in the identification of seed germination. The detection of rice seed germination without human intervention involves challenges because the rice seeds are small and densely distributed.

RESULTS

In this article, we develop a convolutional neural network (YOLO‐r) that can detect the germination status of rice seeds and automatically evaluate the total number of germinations. Image partition, the Transformer encoder, a small target detection layer, and CDIoU loss are exploited in YOLO‐r to improve the detection accuracy. A total of 21 429 seeds were collected, which have different phenotypic characteristics in length, shape, and color. The results show that the mean average precision of YOLO‐r is 0.9539, which is higher than the compared models. Moreover, the average detection time per image of YOLO‐r was 0.011 s, which meets the real‐time requirements. The experimental results demonstrate that YOLO‐r is robust to complex situations such as water stains, impurities, awns, adhesion, and so on. The results also show that the mean absolute error of the predicted germination rate mainly exists within 0.1.

CONCLUSIONS

Numerous experimental studies have demonstrated that YOLO‐r can predict rice germination rate in a fast, easy, and accurate manner. © 2022 Society of Chemical Industry.
Rapid screening based on machine learning and molecular docking of umami peptides from porcine bone
Authors: Liu Qing , Gao Xinchang , Pan Daodong , Liu Zhu , Xiao Chaogeng , Du Lihui , Cai Zhendong , Lu Wenjing , Dang Yali , Zou Ying
Published: November 2022

BACKGROUND

The traditional screening method for umami peptide, extracted from porcine bone, was labor‐intensive and time‐consuming. In this study, the rapid screening method and molecular mechanism of umami peptide was investigated.

RESULTS

This article showed that a more precisely rapid screening method with composite machine learning and molecular docking was used to screen the potential umami peptide from porcine bone. As reference, 24 reported umami peptides were predicated by composite machine learning, with the accuracy of 86.7%. In this study, potential umami peptide sequences from porcine bone were screened by UMPred‐FRL, Umami‐MRNN Demo, and molecular docking was used to provide further screening. Finally, nine peptides were screened and verified as umami peptides by this method: LREY, HEAL, LAKVH, FQKVVA, HVKELE, AEVKKAP, EAVEKPQS, KALSEEL and KKMFETES. The hydrogen bonding was deemed to be the main interaction force with receptor T1R3, and domain binding sites were Ser146, His121 and Glu277. The result demonstrated the feasibility of machine learning assisted T1R1/T1R3 receptor for rapid screening umami peptides. The screening method would not only adapt to screen umami peptides from porcine bone but possibly applied for other sources. It also provided a reference for rapid screening of umami peptides.

CONCLUSION

The manuscript lays a rapid screening method in screening umami peptide, and nine umami peptides from porcine bone were screened and identified. © 2022 Society of Chemical Industry.