bluuebunny/crossref_metadata_2025 huggingface dataset:
Stokes Shift Engineered Mn:CdZnS/ZnS Nanocrystals as Reabsorption‐Free Nanoscintillators in High Loading Polymer Composites
Authors: Carulli Francesco , Cova Francesca , Gironi Luca , Meinardi Francesco , Vedda Anna , Brovelli Sergio
Published: May 2022

Plastic scintillators are gaining attention as alternatives to inorganic scintillator crystals owing to their low fabrication cost, customable shape/size, and substantially lighter weight that make them suitable for various radiation detection technologies. These include scintillation panels for national security and industrial monitoring, radiation screens for medical diagnostics, and calorimeters for high energy physics. Because of their low density, plastic scintillators are typically doped with high atomic number (Z) sensitizers that enhance the interaction probability with ionizing radiation and excite molecular emitters. Although effective, such a two‐component design suffers from incomplete sensitization, intrinsically limited efficiency due to multiple radiative steps with non‐unity quantum yield, detrimental phase segregation effects and the fragility of organic emitters to ionizing radiation. In this work, an alternative single‐component scheme is proposed based on high‐Z reabsorption‐free CdZnS/ZnS semiconductor nanocrystals (NCs) doped with manganese embedded in a polyvinyltoluene (PVT) waveguide. Optical‐grade nanocomposites free from optical reabsorption of the scintillation light and with performance comparable to commercial products are obtained through a post‐synthesis resurfacing procedure that maximizes the compatibility between the NCs and PVT and preserves their optical properties upon curing.
Asymmetric Organocatalyzed Friedel–Crafts Reaction of Trihaloacetaldehydes and Phenols
Authors: Svestka David , Otevrel Jan , Bobal Pavel
Published: May 2022

Herein we report the asymmetric organocatalyzed method for the Friedel–Crafts reaction between activated phenols and trihaloacetaldehydes. A three‐phase screening including 41 compounds was employed to identify a catalyst structure based on 3,5‐dinitrobenzamide of 9‐amino‐epi‐cinchonidine as the lead catalytic molecule. Under the optimized reaction conditions, the above catalyst offered trihalohydroxyalkylated adducts in yields ranging from 26 to 92% and enantiomeric ratios within 69:31–99:1. The reaction scope was determined on 29 entries and several follow‐up transformations of the enantioenriched products were accomplished.

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Data‐Driven Investigation of the Synthesizability and Bandgap of Double Perovskite Halides
Authors: Kim Joonchul , Min Kyoungmin
Published: May 2022

Double perovskite halide materials have been widely used in batteries, light‐emitting diodes, and solar cells. Thus, investigations of the fundamental properties of the double perovskite halide to search for an ideal structure are crucial. In this study, a surrogate model is developed to predict the formation energy, convex hull energy, and bandgap of A2BB′X6 type double perovskite halide structures. The material properties of 13 542 candidate structures are predicted and validated through first‐principles calculations. Without double perovskite halide information during training, the prediction accuracy for the formation energy is obtained as an R‐squared value of 0.770 and Root Mean Square Error (RMSE) of 0.404 eV atom−1. For the convex hull energy, an accuracy of 0.642 is obtained. For the bandgap, R‐squared score of 0.427 and an RMSE of 1.235 eV are achieved. Furthermore, the optimization process confirms that adding only 850 (6%) double perovskite halide structures to the training set increases the R‐squared value to 0.90 for the formation energy. In the bandgap, more data are needed; 3550 data (68.2%) are added to achieve an R‐squared score of 0.9. The current study successfully predicts the fundamental properties of double perovskite halides for the accelerated discovery of ideal structures.
Quantitative comparison of the storage protein distribution in glandless and glanded cottonseeds
Authors: He Zhongqi , Zhang Dunhua , Mattison Christopher P.
Published: May 2022

Glanded (Gd) cottonseed (Gossypium hirsutum L.) contains scattered gossypol glands. Glandless (Gl) cottonseed is a new type of seed containing only trace levels of gossypol. This work quantitatively compared the content and migration pattern of Gd and Gl protein isolates. Both protein samples were subjected to sodium dodecyl sulfate (SDS)‐gel electrophoresis, and the protein gel bands were separated into seven partitions for peptide mass spectroscopic analysis. While multiple peptide fragments (isoformers) of vicilin and legumin proteins were present in both samples, the percentage of vicilins in total seed protein was higher in Gd (74.9%) than in Gl (63.4%). In contrast, legumin proteins were more abundant in Gl (30.4%) than Gd (23.6%). Minor protein components such as lipid‐related oleosins and vicilin‐like antimicrobial peptides 2‐2 were also observed at a relatively higher incidence in Gl compared with Gd, potentially reflecting a need for increased protein‐related defense capability in the absence of gossypol against natural predators or adverse growth environment.
SnS2 Microsheets for Optical Supramolecular Generation
Authors: Zhang Dan , Lu Guangliang , Qiu Yang , Qin Siqi , Wang He , Jiang Jiangang , Zhou Wenquan , Zhang Ping , An Hongchang , Li Xiaohui
Published: May 2022

Multi‐pulse soliton molecules are observed in passively mode‐locked fiber lasers by using 2D layered metal dichalcogenides (LMDs) as a saturable absorber. LMD has attracted significant attention in photonics and optoelectronics in which tin disulfides (SnS2) are implemented for energy storage, photo‐catalysts, and transistor. However, the applications of SnS2 in optoelectronics fields are quite rare. Soliton supramolecules are the self‐assembly of optical solitons into highly‐ordered supramolecular structures which have not been experimentally observed due to the absence of techniques for controlling the inter‐soliton forces. In this article, SnS2 LMDs are successfully applied in a passively mode‐locked fiber laser. It is confirmed that the proposed fiber laser has a center wavelength of 1561.5 nm, a 3‐dB spectral width of 2.45 nm, signal‐to‐noise ratio of 63 dB, and a radiofrequency of 7.2 MHz. The different interiors of the second‐order, third‐order, and ninth‐order bound state of solitons in the cavity are investigated. Furthermore, it is found that numbers of optical solitons self‐assembled into highly ordered supramolecular structures in a passively mode‐locked fiber laser for the first time. The bound state between the six supramolecular soliton units is obtained experimentally and theoretically which have potential applications in ultrafast laser‐field manipulation and optical information storage because of special interactions between pulses.
Circularly Polarized Manipulations with VO2‐Doped Dielectric Electromagnetically Induced Transparency and Absorption
Authors: Sun Yuan‐Zhe , Gao Cheng‐Jing , Qu Jia , Zhang Hai‐Feng
Published: May 2022

Superior analogs for electromagnetically induced transparency (EIT) and absorption (EIA) in metasurfaces (MSS) are universal, but fewer integrate both effects in one device, let alone contribute to polarization manipulations. Here, note that asymmetrical EITs are rigorously demonstrated under both polarization incidences in dielectric orthogonal dumbbell‐shaped structures, with a maximum group delay of 335 ps. The transverse magnetic (TM) mode excited EIT holds a transparent window at 1.318 THz close to the transverse electric (TE) mode excited that of 1.358 THz, which triggers the linear‐to‐circular polarization conversion at 1.339 THz with an optimized transmittance of 0.67, validated via the axial ratio. Additionally, asymmetrical EIAs are presented with an embedded metal‐phase VO2 plate, holding a common absorption of 0.51 at 1.340 THz, of which the insulating state affects little to the circular‐polarization output. Given the detuning of two frequencies (1.339 and 1.340 THz) can be compensated by the dispersion properties, it can be understood as the original converted circularly polarized propagating light decays with 0.5‐absorption via phase‐tuned VO2, operating as a temperature‐driven switch. The circular‐polarization transmission and absorption are integrated respectively based on EIT and EIA with the different states of VO2, promising broad prospects in multifunctional devices.
Double‐Modification Oriented Design of a Deep‐UV Birefringent Crystal Functionalized by [B12O16F4(OH)4] Clusters
Authors: Jin Congcong , Li Fuming , Cheng Bingliang , Qiu Haotian , Yang Zhihua , Pan Shilie , Mutailipu Miriding
Published: May 2022

Polarization modulation of deep‐UV light is of significance to current technologies, and to this end, the birefringent crystal has emerged as an invaluable material as it allows for effective light modulation. Herein, a double‐modification strategy driven by F and OH anions that makes double effects towards the critical property enhancement of deep‐UV birefringent crystals is proposed. This leads to a new hydroxyborate (NH4)4[B12O16F4(OH)4] with giant cluster as a deep‐UV birefringent crystal with large birefringence (Δnexp.=0.12@546.1 nm). This birefringence is a record among inorganic hydroxyborates with experimentally measured birefringence. Structural analysis shows that the near‐plane arrangement of [B12O16F4(OH)4] cluster is responsible for the large optical anisotropy. Theoretical calculations indicate that its π‐conjugated [BO3] and [BO2OH] units are the main source of this large optical anisotropy.
Stable Lead‐Free Tin Halide Perovskite with Operational Stability >1200 h by Suppressing Tin(II) Oxidation
Authors: Zhang Qinggang , Liu Shiqiang , He Mengda , Zheng Weilin , Wan Qun , Liu Mingming , Liao Xinrong , Zhan Wenji , Yuan Changwei , Liu Jinyu , Xie Haijiao , Guo Xiaojun , Kong Long , Li Liang
Published: May 2022

Sn‐based perovskites are the most promising alternative materials for Pb‐based perovskites to address the toxicity problem of lead. However, the development of SnII‐based perovskites has been hindered by their extreme instability. Here, we synthesized efficient and stable lead‐free Cs4SnBr6 perovskite by using SnF2 as tin source instead of easily oxidized SnBr2. The SnF2 configures a fluorine‐rich environment, which can not only suppress the oxidation of Sn2+ in the synthesis, but also construct chemically stable Sn−F coordination to hinder the electron transfer from Sn2+ to oxygen within the long‐term operation process. The SnF2‐derived Cs4SnBr6 perovskite shows a high photoluminescence quantum yield of 62.8 %, and excellent stability against oxygen, moisture, and light radiation for 1200 h, representing one of the most stable lead‐free perovskites. The results pave a new pathway to enhance the optical properties and stability of lead‐free perovskite for high‐performance light emitters.
Multimodal Imaging of Silicified Sorghum Leaves
Authors: Zancajo Victor M. R. , Diehn Sabrina , Elbaum Rivka , Kneipp Janina
Published: May 2022

The plant cell wall is a complex composite material made of polysaccharides, polyphenols, proteins, and minerals. In this work, a multimodal imaging approach was taken, using Raman and Fourier‐transform infrared (FTIR) microspectroscopy along with fluorescence imaging, scanning electron microscopy (SEM), and elemental mapping by energy dispersive X‐ray spectroscopy (EDX). We characterized the chemical composition of sorghum leaf cross‐sections extracted from fresh tissue as well as after paraffin embedding. The complementary vibrational information of Raman and FTIR spectra related a silica deposition to a specific organic composition in the epidermis, specifically with respect to lignin. Moreover, the data enable in situ correlation of autofluorescence with a specific lignin structure. Our results showed that lignin 5–5’ linkages that produce biphenyl structures are important determinants of the cell wall fluorescence properties. The reported multimodal approach will help to clarify the process of biosilica formation and related questions regarding cell wall biochemistry.
Efficient testing and effect size estimation for set‐based genetic association inference via semiparametric multilevel mixture modeling
Authors: Sugasawa Shonosuke , Noma Hisashi
Published: May 2022

In genetic association studies, rare variants with extremely low allele frequencies play a crucial role in complex traits. Therefore, set‐based testing methods that jointly assess the effects of groups of single nucleotide polymorphisms (SNPs) were developed to increase the powers of the association tests. However, these powers are still insufficient, and precise estimations of the effect sizes of individual SNPs are largely impossible. In this article, we provide an efficient set‐based statistical inference framework that addresses both of these important issues simultaneously using an empirical Bayes method with semiparametric multilevel mixture modeling. We propose to utilize the hierarchical model that incorporates variations in set‐specific effects and to apply the optimal discovery procedure (ODP) that achieves the largest overall power in multiple significance testing. In addition, we provide an optimal “set‐based” estimator of the empirical distribution of effect sizes. The efficiency of the proposed methods is demonstrated through application to a genome‐wide association study of coronary artery disease and through simulation studies. The results demonstrated numerous rare variants with large effect sizes for coronary artery disease, and the number of significant sets detected by the ODP was much greater than those identified by existing methods.
Chemical modification of lipases: A powerful tool for activity improvement
Authors: Noro Jennifer , Cavaco‐Paulo Artur , Silva Carla
Published: May 2022

The demand for adequate and ecologically acceptable procedures to produce the most differentiated products has been growing in recent decades, with enzymes being excellent examples of the advances achieved so far. Lipases are astonishing catalysts with a vast range of applications including the synthesis of esters, flavors, biodiesel, and polymers. The broad specificity of the substrates, as well as the regio‐, stereo‐, and enantioselectivity, are the differentiating factors of these enzymes. Structural modification is a current approach to enhance the activity of lipases. Chemical modification of lipases to improve catalytic performance is of great interest considering the increasingly broad fields of application. Together with the physical immobilization onto solid supports, different strategies have been developed to produce catalysts with higher activity and stability. In this review, practical insights into the different strategies developed in recent years regarding the modification of lipases are described. For the first time, the impact of the modifications on the activity and stability of lipases, as well as on the biotechnological applications, is fully compiled.
Microfluidic fabrication of tunable alginate‐based microfibers for the stable immobilization of enzymes
Authors: Zhang Wen , Ye Wenbo , Wang Yajun , Yan Yunfeng
Published: May 2022

Immobilized enzymes have drawn extensive attention due to their enhanced stability, easy separation from reaction mixture, and prominent recyclability. Nevertheless, it is still an ongoing challenge to develop potent immobilization techniques which are capable of stable enzyme encapsulation, minimal loss of activity, and modulability for various enzymes and applications. These microfibers were able to efficiently encapsulate bovine serum albumin (BSA), glucose oxidase (GOx), and horseradish peroxidase (HRP). But the physically adsorbed enzymes readily diffused into the catalytic reaction system. The leakage of enzymes could be substantially inhibited by conjugating to poly(acrylic acid) (PAA) and incorporating into alginate‐based microfibers, enabling stable immobilization, improved recyclability, and enhanced thermostability. In addition, GOx and HRP‐loaded microfibers were fabricated under the optimized conditions for the visual detection of glucose using the cascade reaction of these enzymes, showing sensitive color change to glucose with concentration range of 0–2 mm. Due to the tunability and versatility, this microfluidic‐based microfiber platform may provide a valuable approach to the enzyme immobilization for the cascade catalysis and diagnoses with multiple clinical markers.
Curcumin Ameliorates the Experimental Diabetic Peripheral Neuropathy through Promotion of NGF Expression in Rats
Authors: Zhang Wen‐Xuan , Lin Zi‐Qiang , Sun Ai‐Ling , Shi Yong‐Yong , Hong Qing‐Xiong , Zhao Gao‐Feng
Published: May 2022

Increasing evidence suggested that inhibiting the apoptosis of Schwann cells (SCs) and promoting nerve growth factor (NGF) expression in sciatic nerves play key roles in preventing the onset of diabetic peripheral neuropathy (DPN). Curcumin, a primary bioactive substance in turmeric with multiple characteristics, has been shown to have many therapeutic effects in a variety of diseases. However, curcumin is poorly studied in the DPN models. We aimed to explore the therapeutic benefits and underlying mechanism of curcumin in high fat/sugar diets joint streptozotocin (STZ)‐induced DPN rat models. Sprague‐Dawley (SD) rats were divided into five groups (6 rats per group), control group, DPN group, Curcumin groups (50, 100, and 150 mg/kg). Curcumin was administered intragastrically once per day for 4 continuous weeks. Body weight (BW) and fasting blood glucose (FBG) were monitored in all groups. The mechanical withdraw threshold (MWT) was measured. We also assessed neuropathic change by testing nerve conductance velocity (NCV) in sciatic nerves. TEM was applied to observe the sciatic nerves ultrastructure. The SCs apoptosis in sciatic nerves was stained using TUNEL kit. NGF contents in sciatic nerves and serum were detected using western blotting and ELISA analysis. The results showed curcumin had no obvious effect on the BW and FBG change. Curcumin (100 and 150 mg/kg) attenuated the MWT, NCV, and sciatic nerves ultrastructure in DPN rats. Curcumin (50, 100 and 150 mg/kg) reduced SCs apoptosis in sciatic nerves. In addition, curcumin at 150 mg/kg had the best efficacy in increasing protein expression of NGF in sciatic nerves and serum NGF level. Our work demonstrated that curcumin has neuroprotective effects for the treatment of DPN.
A Review on Anomalin: A Natural Bioactive Pyranocoumarin from the Past to the Future
Authors: Onder Alev , Trendafilova Antoaneta
Published: May 2022

Anomalin is a seselin‐type pyranocoumarin isolated for the first time from Angelica anomala Avé‐Lal, but is also found in several other plant species, especially in Apiaceae. This lipophilic molecule possesses pharmacologically beneficial activities for human health. The major scientific databases Scopus, Web of Science, Google Scholar, and PubMed up to the end of 2021 and the combining terms anomalin, praeruptorin, isolation, structure elucidation, and biological activity were used in the research of this review. This review focuses on the sources, structural properties, and biological functions of anomalin and provides future trends in the investigation of anomalin, particularly in therapies for many common diseases such as anti‐inflammatory and neurodegenerative illnesses. As a potential bioactive molecule, prospective studies on anomalin should be done through supported clinical trials. At the end, this review confirms the significant pharmacological potential of anomalin.
Identification of Genes Essential for Sulfamate and Fluorine Incorporation During Nucleocidin Biosynthesis
Authors: Pasternak A. R. Ola , Bechthold Andreas , Zechel David L.
Published: May 2022

Nucleocidin is an adenosine derivative containing 4’‐fluoro and 5’‐O‐sulfamoyl substituents. In this study, nucleocidin biosynthesis is examined in two newly discovered producers, Streptomyces virens B‐24331 and Streptomyces aureorectus B‐24301, which produce nucleocidin and related derivatives at titers 30‐fold greater than S. calvus. This enabled the identification of two new O‐acetylated nucleocidin derivatives, and a potential glycosyl‐O‐acetyltransferase. Disruption of nucJ, nucG, and nucI, within S. virens B‐24331, specifying a radical SAM/Fe−S dependent enzyme, sulfatase, and arylsulfatase, respectively, led to loss of 5’‐O‐sulfamoyl biosynthesis, but not fluoronucleoside production. Disruption of nucN, nucK, and nucO specifying an amidinotransferase, and two sulfotransferases respectively, led to loss of fluoronucleoside production. Identification of S. virens B‐24331 as a genetically tractable and high producing strain sets the stage for understanding nucleocidin biosynthesis and highlights the utility of using 16S‐RNA sequences to identify alternative producers of valuable compounds in the absence of genome sequence data.
Anomalous coronary artery in Tetralogy of Fallot—Feasibility of right ventricular outflow tract stenting as initial palliation
Authors: Afifi Ahmed R. S. A. , Mehta Chetan , Bhole Vinay , Chaudhari Milind , Khan Natasha E. , Jones Timothy J. , Stumper Oliver
Published: May 2022

This study addresses the outcome of right ventricle outflow tract (RVOT) stenting in Tetralogy of Fallot (ToF) with anomalous coronaries crossing the RVOT. RVOT stenting in ToF patients has emerged as an alternative to Blalock Taussig shunting. This is a single center study of patients who underwent RVOT stenting for symptomatic ToF at Birmingham Children's Hospital between 2005 and 2020. A total of 122 patients underwent RVOT stenting as initial palliation over a 15‐year period, 10 patients had anomalous coronaries crossing the RVOT (study group) and 112 not (comparative group). Median age of the study group was 72.5 days (interquartile range [IQR]: 28–103) with a weight of 4.7 kg (IQR: 3.5–4.9). No significant differences were found between the two groups regarding the patients’ weights and ages, procedure and screening times, or hospital stay. Four had valve sparing stenting. Oxygen saturations increased from a median of 75.5% (IQR: 70–82) to 94.5% (IQR: 90–95), p < 0.002. Postprocedure median hospital stay was 3 days (IQR: 2–6). Six patients underwent interstage catheterization reintervention and one needed early surgical palliation due to stent suboptimal position. Complete repair could be delayed for a median of 11.1 months (IQR: 5.6–19.2). At surgical repair, the patients had a median age of 12.3 months (IQR: 7.5–25.6) and weight of 7.7 kg (IQR: 6.8–10.8). There were no deaths. RVOT stenting in ToF with anomalous coronaries is safe and effective. Dilatable stents should be used when two‐stage delayed conduit repair is the default approach.
Clinical impact of FFR‐guided PCI compared to angio‐guided PCI from the France PCI registry
Authors: Adjedj Julien , Morelle Jean‐Francois , Saint Etienne Christophe , Fichaux Olivier , Marcollet Pierre , Decomis Marie Pascale , Motreff Pascal , Chassaing Stephane , Koning Rene , Range Gregoire ,   all France PCI investigators
Published: May 2022

Objectives

We sought to compare, in a national French registry (FrancePCI), the clinical impact of fractional flow reserve (FFR)‐guided percutaneous coronary intervention (PCI) compared with angio‐guided PCI at 1 year.

Background

FFR has become the invasive gold standard to quantify myocardial ischemia generated by a coronary stenosis in patients with chronic coronary syndrome, but in clinical practice it is still underutilised to guide PCI compared to angiography (angio).

Methods

We extracted from the FrancePCI database all chronic coronary syndrome patients treated with PCI for coronary stenosis <90% between 2014 and 2019. Our composite clinical endpoint was the rate of major adverse clinical events (MACE).

Results

Fourteen thousand three hundred eighty‐four patients with 1‐year clinical follow‐up were included. Among them, 13,125 had angio‐guided PCI (91%) and 1259 (9%) had FFR‐guided PCI. We observed a significantly higher rate of MACE in the angio‐guided group versus the FFR‐guided group: 1478 (11.3%) versus 100 (7.9%) (p < 0.0001), respectively, with hazard ratio (HR) of 1.440, 95% confidence interval (CI) [1.211−1.713] (p = 0.0004). This result was driven by the higher occurrence of death in the angio‐guided group versus the FFR‐guided‐group: 506 (3.9%) versus 17 (1.4%) (p < 0.0001), respectively, with HR of 2.845, 95% CI [2.099−3.856] (p < 0.0001). After adjustment for potential confounding factors, HRs were 1.287, 95% CI [1.028−1.613] (p = 0.028) for MACE and 2.527, 95% CI [1.452−4.399] (p = 0.001) for death. No significant differences between angio‐guided PCI and FFR‐guided PCI were observed for other clinical endpoints.

Conclusions

FFR‐guided PCI improves outcome at 1 year compared to angio‐guided PCI with a reduction of 64% of death.
Design of Two‐Dimensional Heteropolyacid‐Covalent Organic Frameworks Composite Materials for Acid Catalysis
Authors: Gao Tianyu , Yan Zhen , Ordomsky Vitaly , Paul Sébastien
Published: May 2022

Covalent organic frameworks (COFs) is a rapidly developing field in material chemistry. However, COFs still have very limited applications due to the absence of functional groups. In this work, we demonstrate the efficient way for the synthesis of crystalline composite based on phosphotungstic acid and 2D imine CIN‐1 type of COF. Heteropolyacid behaves as structure directing agent and it is stabilized between the layers of COF. The composite material shows a layered‐sheet arrangement of large imine network layers with sizes up to 1.5 μm. Owing to the strong interaction of heteropolyacid with COF, the resultant material shows high activity and stability with no leaching during acid‐catalyzed esterification reaction.
Cascade Catalysis Through Bifunctional Lipase Metal Biohybrids for the Synthesis of Enantioenriched O‐Heterocycles from Allenes
Authors: Naapuri Janne M. , Losada‐Garcia Noelia , Rothemann Robin Alexander , Pichardo Manuel Carmona , Prechtl Martin H. G. , Palomo Jose M. , Deska Jan
Published: May 2022

Lipase/metal nanobiohybrids, generated by growth of silver or gold nanoparticles on protein matrixes are used as highly effective dual‐activity heterogeneous catalysts for the production of enantiomerically enriched 2,5‐dihydrofurans from allenic acetates in a one‐pot cascade process combining a lipase‐mediated hydrolytic kinetic resolution with a metal‐catalyzed allene cycloisomerization. Incorporating a novel strategy based on enzyme‐polymer bioconjugates in the nanobiohybrid preparation enables excellent conversions in the process. Candida antarctica lipase B (CALB) in combination with a dextran‐based polymer modifier (DexAsp) proved to be most efficient when merged with silver nanoparticles. A range of hybrid materials were produced, combining Ag or Au metals with Thermomyces lanuginosus lipase (TLL) or CALB and its DexAsp or polyethyleneimine polymer bioconjugates. The wider applicability of the biohybrids is demonstrated by their use in allenic alcohol cyclizations, where a variety of dihydrofurans are obtained using a CALB/gold nanomaterial. These results underline the potential of the nanobiohybrid catalysis as promising approach to intricate one‐pot synthetic strategies.
Enhanced Fluid Mixing Using a Reversed Multistage Tesla Micromixer
Authors: Buglie William L. N. , Tamrin Khairul Fikri , Sheikh Nadeem Ahmed , Yasin Mohd Fairus Mohd , Mohamaddan Shahrol
Published: May 2022

A two‐dimensonal Tesla micromixer is experimentally characterized at varying Reynolds numbers (Re) and valve stages with the aim to acquire sufficiently high mixing performance. To ease fabrication, a simplified Tesla valve design is adopted. Results show two distinctive regimes of low and highRe. In the low‐Reregime, a steady incremental mixing was observed as the fluid passes by each valve, whereas an enhanced mixing was identified right in the first valve in the high‐Reregime. This is predominantly due to the amplified opposing flow from the helix branch which promotes stronger chaotic advection in the main microchannel. Interestingly, the measured mixing performance was found comparable to that of three‐dimensional passive micromixers reported in the literature.
The Hidden Role of the Supporting Electrode for Creating Heterogeneity in Single Entity Electrochemistry
Authors: Molina Natalia Y. , Pungsrisai Tipsiri , O'Dell Zachary J. , Paranzino Bianca , Willets Katherine A.
Published: May 2022

Single entity electrochemistry experiments are typically motivated by the need to reveal how heterogeneity affects performance within inherently diverse nanoparticle populations. Here we show that a commonly used supporting electrode, tin‐doped indium oxide (ITO), can also play a significant role in creating heterogeneity in nanoparticle electrochemical responses. To investigate the impact of the substrate, we optically monitored the electrodissolution kinetics of gold nanoparticles on ITO thin films with similar resistivity from two different suppliers. The ITO from the two suppliers showed marked differences in the gold electrodissolution kinetics, with ITO from one of the suppliers even producing poor sample‐to‐sample reproducibility across substrates within the same lot number. The role of nanoparticle size and surface effects were accounted for in our analysis to validate that the observed heterogeneity is dominated by the ITO electrodes. The results show that the role of the supporting electrode cannot be ignored when performing single entity structure‐function studies.
Stocker cattle performance on interseeded alfalfa bermudagrass pastures in Mississippi
Authors: Rushing Brett , Lemus Rocky , Maples Joshua Gilchrist , Lyles John Clay
Published: May 2022

Beef cattle (Bos taurus) production systems in the southeastern United States are often riddled with inefficiencies, particularly when it comes to forage management, and the lack of high‐quality forages utilized during the warmer months of the year. A grazing trial was conducted in east‐central Mississippi on a fine sandy loam soil in which bermudagrass (Cynodon dactylon L.) was interseeded with ‘Bulldog 505’ alfalfa (Medicago sativa L.). The randomized complete block design consisted of three treatments: (a) unfertilized bermudagrass (BG), (b) fertilized bermudagrass (100 lb N acre–1 yr–1) (BGN), and (c) bermudagrass interseeded with alfalfa (BGA). Forage production, along with animal performance, and economic analysis were compared across all three treatments for three grazing seasons (2017–2019). The BGA system had greater cumulative forage mass (FM), crude protein (CP), and total digestible nutrients (TDN) compared with the BG treatment. The BGA treatment had the greatest average daily gain (ADG; 1.83 lb head–1 d–1) and GAIN (178 lb acre–1). Based on increased forage and animal performance, the BGA treatment had a net revenue of US$75.61 acre–1, compared with the BG ($15.49 acre–1) and BGN (–$26.50 acre–1) treatments. Our results indicate that interseeding alfalfa into bermudagrass pastures has the potential to increase farm profitability, especially with fluctuations in N prices.
Support Morphology Effect on Selective Hydrogenation of 3‐Nitrostyrene to 3‐Vinylaniline over Pt/α‐Fe2O3 Catalysts
Authors: Dai Chengshan , Zhang Ying , Chen Junnan , Zhong Xia , Zhang Liyun , Zhang Bingsen
Published: May 2022

Selective hydrogenation of substituted nitroaromatic compounds is an extremely important and challenging reaction. Supported metal catalysts attract much attention in this reaction because the properties of metal nanoparticles (NPs) can be modified by the nature of the support. Herein, the support morphology on the catalytic performance of selective hydrogenation of 3‐nitrostyrene to 3‐vinylaniline was investigated. Pt NPs supported on octadecahedral α‐Fe2O3 supports with a truncated hexagonal bipyramid shape (Pt/α‐Fe2O3‐O) and rod‐shaped α‐Fe2O3 supports (Pt/α‐Fe2O3‐R) were prepared by glycol reduction method. Detailed characterizations reveal that the electronic structure and dispersion of Pt NPs can be modified by the supports. The Pt/α‐Fe2O3‐O catalyst exhibited superior catalytic performance for hydrogenation of 3‐nitrostyrene because of its low coordinated Pt sites and the small Pt NPs size, which is benefit from the high‐index exposed surfaces of truncated hexagonal bipyramid‐shaped α‐Fe2O3 support. The structural evolution during the catalytic reaction was investigated in detail by identical location transmission electron microscopy (IL‐TEM) method, which found that the high cycling activity of Pt/α‐Fe2O3‐O catalyst during the cycle experiment results from the stability of Pt NPs.
A method for assessing the performance of sorting unit operations in a material recovery facility based on waste characterizations
Authors: Tanguay‐Rioux Fabrice , Provost‐Savard Arianne , Spreutels Laurent , Héroux Martin , Legros Robert
Published: May 2022

The determination of the separation efficiencies of mechanical sorting equipment is essential to improve the performance of material recovery facilities (MRFs). However, it is often a challenge to obtain these efficiencies due to the high complexity of MRFs, which often comprise several recirculation streams. In this paper, a methodology to determine the equipment separation efficiencies of a complex MRF is described and applied to an actual sorting centre located in the province of Quebec, Canada. Transfer coefficients for every unit operation and several material types, together with all material flows within the facility, have been determined for an MRF processing a stream of commingled recyclable materials. This work also provides a rare dataset of separation efficiencies for several mechanical sorting unit operations. The methodology is validated by comparing experimental data and model predictions for the recovery and purity of all main output streams. The results contribute to identify several avenues for process performance improvement, like adding a magnetic separation at the beginning of the sorting sequence or improving the separation of the 2D‐type materials collected from the second ballistic separator by changing the operation conditions or adding a quality control step. Moreover, the results also provide valuable information about material recovery and purity to help managers improve the process performance. Finally, a scenario analysis demonstrates that the performance of a second ballistic separator has an important impact on the sorting process's global efficiency and that recirculating a fraction of the rejects output stream has a negligible impact on the global performance.
DVO + LCLMF: A web service recommendation mechanism withQoSprivacy preservation
Authors: Li Kui , Ji Yi‐mu , Liu Shang‐dong , Wu Fei , Yao Hai‐chang , He Jing , Liu Qiang , Liu Yan‐lan , Shao Si‐si , You Shuai
Published: May 2022

QoS‐aware based web service recommendation is one of the crucial solutions to help users find high‐quality web services. To accurately predict the QoS values of candidate services, it is usually required to collect historical QoS data of users (QoS data for short). If these collected QoS data are improperly processed, QoS data privacy may be threatened. However, how to accurately predict the QoS values of candidate services while protecting QoS data privacy has not been well studied. In response to the situation, we propose a hybrid web service recommendation mechanism, which is divided into three parts. In the first part, the QoS data privacy preservation algorithm, which called DVO, is proposed based on keeping the cosine similarity of QoS data unchanged, that is, to realize the confusion of QoS data while ensuring the availability of QoS data remains unchanged. In the second part, a hybrid matrix factorization model based on location information and service features, which called LCLMF, is proposed to improve the accuracy of QoS values prediction. According to DVO and LCLMF, the DVO + LCLMF is designed in the third part, which can accurately predict QoS values while protecting QoS data privacy. The experimental results show that DVO + LCLMF can accurately predict the QoS values of candidate services on the basis of attaining QoS data privacy protection.
A novel method to reduce indoor signal power fluctuation using multiple adaptive terahertz sources
Authors: Liang Yewen , Jing Qingfeng , Zhong Weizhi
Published: May 2022

The indoor terahertz sources cause power fluctuation at various locations due to obstacles, which can be avoided by deploying multiple sources, but will lead to high energy consumption. In this paper, the reverse ray‐tracing method is used to establish a terahertz indoor channel. The free path loss, atmospheric absorption, and reflection loss are considered. Adaptive algorithms are adopted to solve the large energy consumption of deploying multiple sources. A weight vector coefficient is used based on the location and received user signal to adjust the transmission power of each terahertz source dynamically. The results show that the adaptive power control of multiple terahertz sources substantially reduces the energy consumption and the signal power fluctuations. For static users, the energy consumption can be reduced by 5 and 9 dB, and the maximum data transmission rate can be increased by one to two times using four and nine sources, respectively. Moreover, energy consumption can be reduced by more than 6 dB for several indoor users. For dynamic users with a changing channel environment, the adaptive algorithm can adjust the source power in real time and improve signal efficiency. However, the efficiency improvement of the algorithm is limited by the distribution of the multiple sources. The energy consumption of four sources with the adaptive algorithm operating in the center of the room is greater than that of nine sources without the adaptive algorithm. Nevertheless, the efficiency of the nine sources with the adaptive algorithm is much higher than that of the four sources.
Association of the top 20 Alzheimer's disease risk genes with [18F]flortaucipir PET
Authors: Stage Eddie , Risacher Shannon L. , Lane Kathleen A. , Gao Sujuan , Nho Kwangsik , Saykin Andrew J. , Apostolova Liana G. ,   for the Alzheimer's Disease Neuroimaging Initiative
Published: May 2022

Introduction

We previously reported genetic associations of the top Alzheimer's disease (AD) risk alleles with amyloid deposition and neurodegeneration. Here, we report the association of these variants with [18F]flortaucipir standardized uptake value ratio (SUVR).

Methods

We analyzed the [18F]flortaucipir scans of 352 cognitively normal (CN), 160 mild cognitive impairment (MCI), and 54 dementia (DEM) participants from Alzheimer's Disease Neuroimaging Initiative (ADNI)2 and 3. We ran step‐wise regression with log‐transformed [18F]flortaucipir meta—region of interest SUVR as the outcome measure and genetic variants, age, sex, and apolipoprotein E (APOE) ε4 as predictors. The results were visualized using parametric mapping at familywise error cluster‐level–corrected P < .05.

Results

APOE ε4 showed significant (P < .05) associations with tau deposition across all disease stages. Other significantly associated genes include variants in ABCA7 in CN, CR1 in MCI, BIN1 and CASS4 in MCI and dementia participants.

Discussion

We found significant associations to tau deposition for ABCA7, BIN1, CASS4, and CR1, in addition to APOE ε4. These four variants have been previously associated with tau metabolism through model systems.
Alleles of unc‐33/CRMP exhibit defects during Caenorhabditis elegans epidermal morphogenesis
Authors: Prins Rachel , Windsor Peter , Miller Bill R. , Maiden Stephanie
Published: May 2022

Background

Microtubule‐associated proteins regulate the dynamics, organization, and function of microtubules, impacting a number of vital cellular processes. CRMPs have been shown to control microtubule assembly and axon outgrowth during neuronal differentiation. While many microtubule‐associated proteins have been linked to roles in cell division and neuronal development, it is still unclear the complement that control the formation of parallel microtubule arrays in epithelial cells.

Results

Here we show through time‐lapse DIC microscopy that Caenorhabditis elegans embryos homozygous for the weak loss‐of‐function allele unc‐33(e204) progress more slowly through epidermal morphogenesis, while animals homozygous for strong loss‐of‐function alleles exhibit more embryonic lethality. Identification of two novel missense mutations in unc‐33(e572), Val476Gly, and Ser731Thr, lead to computational approaches to determine the potential effects of these changes on UNC‐33/CRMP structure. Molecular dynamics simulations show that for Asp389Asn and Arg502His, two other known missense mutations, local changes in protein‐protein hydrogen bonding affect the stability of the protein. However, the Val476Gly/Ser731Thr combination does not alter the structure or energetics of UNC‐33 drastically when compared to the wild‐type protein.

Conclusions

These results support a novel role for UNC‐33/CRMP in C. elegans epidermal development and shed light on how individual amino acid changes cause a loss‐of‐function in UNC‐33.
Large size (>100‐μm) microplastics are not biomagnifying in coastal marine food webs of British Columbia, Canada
Authors: Covernton Garth A. , Cox Kieran D. , Fleming Wendy L. , Buirs Brittany M. , Davies Hailey L. , Juanes Francis , Dudas Sarah E. , Dower John F.
Published: May 2022

Microplastics (MPs) contamination in marine environments is of increasing concern, as plastic particles are globally ubiquitous across ecosystems. A large variety of aquatic taxa ingest MPs, but the extent to which animals accumulate and transfer MPs through food webs is largely unknown. In this study, we quantified MP uptake in bivalves, crabs, echinoderms, and fish feeding at different trophic levels at three sites on southern Vancouver Island. We paired stable‐isotope food web analysis with MP concentrations in digestive tracts across all trophic levels and in fish livers. We then used Bayesian generalized linear mixed models to explore whether bioaccumulation and biomagnification were occurring. Our results showed that MPs (100–5000 μm along their longest dimension) are not biomagnifying in marine coastal food webs, with no correlation between the digestive tract or fish liver MP concentrations and trophic position of the various species. Ecological traits did, however, affect microplastic accumulation in digestive tracts, with suspension feeder and smaller‐bodied planktivorous fish ingesting more MPs by body weight. Trophic transfer occurred between prey and predator for rockfish, but higher concentrations in full stomachs compared with empty ones suggested rapid excretion of ingested MPs. Collectively, our findings suggested the movement of MP through marine food webs is facilitated by species‐specific mechanisms, with contamination susceptibility a function of species biology, not trophic position. Furthermore, the statistical methods we employ, including machine learning for classifying unknown particles and a probabilistic way to account for background contamination, are universally applicable to the study of microplastics. Our findings advance understanding of how MPs enter and move through aquatic food webs, suggesting that lower‐trophic‐level animals are more at risk of ingesting >100‐μm MPs, relative to higher‐trophic‐level animals. Our work also highlights the need to advance the study of <100‐μm MPs, which are still poorly understood and may need to be considered separately in ecological risk assessments.
Quantifying eco‐evolutionary contributions to trait divergence in spatially structured systems
Authors: Govaert Lynn , Pantel Jelena H. , De Meester Luc
Published: May 2022

Ecological and evolutionary processes can occur at similar time scales and, hence, influence one another. There has been much progress in developing metrics that quantify contributions of ecological and evolutionary components to trait change over time. However, many empirical evolutionary ecology studies document trait differentiation among populations structured in space. In both time and space, the observed differentiation in trait values among populations and communities can be the result of interactions between nonevolutionary (phenotypic plasticity, changes in the relative abundance of species) and evolutionary (genetic differentiation among populations) processes. However, the tools developed so far to quantify ecological and evolutionary contributions to trait changes are implicitly addressing temporal dynamics because they require directionality of change from an ancestral to a derived state. Identifying directionality from one site to another in spatial studies of eco‐evolutionary dynamics is not always possible and often not meaningful. We suggest three modifications to existing partitioning metrics so they allow quantifying ecological and evolutionary contributions to changes in population and community trait values across spatial locations in landscapes. Applying these spatially modified metrics to published empirical examples shows how these metrics can be used to generate new empirical insights and to facilitate future comparative analyses. The possibility of applying eco‐evolutionary partitioning metrics to populations and communities in natural landscapes is critical as it will broaden our capacity to quantify eco‐evolutionary interactions as they occur in nature.
High Ion‐Selectivity of Garnet Solid Electrolyte Enabling Separation of Metallic Lithium
Authors: Zhang Haitian , Lang Jialiang , Liu Kai , Jin Yang , Wang Kuangyu , Wu Yulong , Shi Siqi , Wang Li , Xu Hong , He Xiangming , Wu Hui
Published: May 2022

Ionic selectivity is of significant importance in both fundamental science and practical applications. For instance, an ion‐selective material allows the passage of a particular kind of ions while blocking the others, which could be used for purification of materials. Herein, the Li‐ion‐selectivity of a garnet‐type solid electrolyte is discussed by comparing the difference of activation energy between different ions migrating in solids. The high ion‐selectivity is confirmed by harvesting high‐purity metallic lithium (99.98 wt%) from low‐lithium‐purity sources (80 wt%) at a moderate temperature (190 °C). This gives it huge potential in separating lithium with impurities especially alkali and alkali‐earth elements. The cost of metallic lithium production is only 25% of the international lithium price. The proposed electrochemical metallic lithium separating method is advantageous compared with the traditional process in terms of efficiency, safety, and cost.
Solvent Screening Is Not Solvent Effect: A Review on the Most Neglected Aspect of Multicomponent Reactions
Authors: Neto Brenno A D. , Eberlin Marcos N. , Sherwood James
Published: May 2022

In the current Perspective article, we critically review and discuss the importance of solvent effects on multicomponent reactions, likely the most neglected aspect in this research field. Although solvent‐free reactions may be desirable sometimes, most multicomponent reactions still require a solvent to properly promote them. This requirement makes the knowledge of all drawbacks and advantages of each solvent a central issue when trying to optimize multicomponent reactions. Yet, only a few studies with actual evidence of solvent effects on these key reactions have been published. For the quantitative effects of solvents, studies are even scarcer. In this Perspective, we argue that greater efforts should be directed to such fundamental studies.
Metal/Metal Dual Catalysis in C−H Activation
Authors: Zhang Qijing , Wang Chengming
Published: May 2022

Metal/metal dual catalysis provides new viewpoints and opportunities for C−H functionalization, especially in reactivity and selectivity control aspects. It helps to realize sequential or cooperative catalytic transformations in one‐pot, shortening the synthetic steps in target molecules construction. This micro‐review summarizes the most recent advances in this research field, discusses related mechanism, collecting examples according to the role of the metal species.