bluuebunny/crossref_metadata_2025 huggingface dataset:
Pan‐Cancer Single‐Cell and Spatial‐Resolved Profiling Reveals the Immunosuppressive Role of APOE+ Macrophages in Immune Checkpoint Inhibitor Therapy
Authors: Liu Chuan , Xie Jindong , Lin Bo , Tian Weihong , Wu Yifan , Xin Shan , Hong Libing , Li Xin , Liu Lulu , Jin Yuzhi , Tang Hailin , Deng Xinpei , Zou Yutian , Zheng Shaoquan , Fang Weijia , Cheng Jinlin , Dai Xiaomeng , Bao Xuanwen , Zhao Peng
Published: April 2024

The heterogeneity of macrophages influences the response to immune checkpoint inhibitor (ICI) therapy. However, few studies explore the impact of APOE+ macrophages on ICI therapy using single‐cell RNA sequencing (scRNA‐seq) and machine learning methods. The scRNA‐seq and bulk RNA‐seq data are Integrated to construct an M.Sig model for predicting ICI response based on the distinct molecular signatures of macrophage and machine learning algorithms. Comprehensive single‐cell analysis as well as in vivo and in vitro experiments are applied to explore the potential mechanisms of the APOE+ macrophage in affecting ICI response. The M.Sig model shows clear advantages in predicting the efficacy and prognosis of ICI therapy in pan‐cancer patients. The proportion of APOE+ macrophages is higher in ICI non‐responders of triple‐negative breast cancer compared with responders, and the interaction and longer distance between APOE+ macrophages and CD8+ exhausted T (Tex) cells affecting ICI response is confirmed by multiplex immunohistochemistry. In a 4T1 tumor‐bearing mice model, the APOE inhibitor combined with ICI treatment shows the best efficacy. The M.Sig model using real‐world immunotherapy data accurately predicts the ICI response of pan‐cancer, which may be associated with the interaction between APOE+ macrophages and CD8+ Tex cells.
Torsion Effects Beyond the δ Bond and the Role of π Metal‐Ligand Interactions
Authors: Inchausti Almudena , Mollfulleda Rosa , Swart Marcel , Perles Josefina , Herrero Santiago , Baonza Valentín G. , Taravillo Mercedes , Lobato Álvaro
Published: April 2024

Previous studies on bimetallic paddlewheel compounds have established a direct correlation between metal–metal distance and ligand torsion angles, leading to the rule that higher torsion results in longer metal‐metal bond distances. Here, the new discovery based on diarylformamidinate Ru₂⁵⁺ paddlewheel compounds [Ru2Cl(DArF)4] that show an opposite behavior is reported: higher torsions lead to shorter metal–metal distances. This discovery challenges the assumption that internal rotation solely impacts the δ bond. By combining experimental and theoretical techniques, it is demostrated that this trend is associated with previously overlooked π metal‐ligand interactions. These π metal‐ligand interactions are a direct consequence of the paddlewheel structure and the conjugated nature of the bidentate ligands. This findings offer far‐reaching insights into the influence of equatorial ligands and their π‐conjugation characteristics on the electronic properties of paddlewheel complexes. That this effect is not exclusive of diruthenium compounds but also occurs in other bimetallic cores such as ditungsten or dirhodium is demonstrated, and with other ligands showing allyl type conjugation. These results provide a novel approach for fine‐tuning the properties of these compounds with significant implications for materials design.
Programmable Racetrack for Magnetic Domain Wall Motion via Local Tuning of Exchange Biased Field
Authors: Kim Hyun‐Joong , Moon Kyoung‐Woong , Yoon Seongsoo , An Kyongmo , Kim Changsoo , Yang Seungmo , Ju Tae‐Seong , Son Jong Wan , Hong Jung‐Il , Hwang Chanyong
Published: April 2024

To overcome memory bottleneck issues in memory‐centric chip technologies, in‐memory computing has been considered an alternative route involving simultaneous data storage and computing in a memory network. In the context of spintronics, a memory‐in‐logic device based on spin‐transfer‐torque or spin‐orbit‐torque magnetoresistive random‐access memory, and a magnetic domain wall (DW) racetrack has been studied. To expand the functionalities of a conventional magnetic DW racetrack, the study devises a reprogrammable exchange‐biased DW racetrack with local engineering of the exchange bias field (HE) in continuous magnetic films without requiring a lithography process for specific patterning of the films. Furthermore, current‐driven and field‐driven DW motion along the exchange‐biased racetrack is demonstrated. Additionally, within the route of the locally different exchange‐biased racetrack, a gate function can be performed to guide or stop DW motion by locally tuning HE. The complex maze racetrack is rewritable, and multiple input channels can be controlled.
Direct Access to Carbamates through Palladium‐Catalyzed Carbonylation of Nitroarenes and Siloxanes
Authors: Yuan Weiheng , An Tongshun , Liu Chenwei , Qin Xiaowen , Yin Zhiping
Published: April 2024

A novel and applicable method for the preparation of various carbamates via a palladium‐catalyzed carbonylation reaction was developed. In the absence of fluorine sources, a wide range of nitroarenes and siloxanes are readily reacted to give the corresponding carbamates in yields ranging from 23 % to 97 % using Mo(CO)6 as both the reducing agent and the carbonyl source. Mechanistic experiments indicated that isocyanate was found to be a critical intermediate in the overall reaction.
Electronic Metal‐Support Interactions Boost *OOH Intermediate Generation in Cu/In2Se3 for Electrochemical H2O2 Production
Authors: Liu Yuepeng , Wang Pengfei , Xie Liangbo , Xia Yuguo , Zhan Sihui , Hu Wenping , Li Yi
Published: April 2024

Two‐electron oxygen reduction reaction (2e− ORR) is a promising method for the synthesis of hydrogen peroxide (H2O2). However, high energy barriers for the generation of key *OOH intermediates hinder the process of 2e− ORR. Herein, we prepared a copper‐supported indium selenide catalyst (Cu/In2Se3) to enhance the selectivity and yield of 2e− ORR by employing an electronic metal–support interactions (EMSIs) strategy. EMSIs‐induced charge rearrangement between metallic Cu and In2Se3 is conducive to *OOH intermediate generation, promoting H2O2 production. Theoretical investigations reveal that the inclusion of Cu significantly lowers the energy barrier of the 2e− ORR intermediate and impedes the 4e− ORR pathway, thus favoring the formation of H2O2. The concentration of H2O2 produced by Cu/In2Se3 is ~2 times than In2Se3, and Cu/In2Se3 shows promising applications in antibiotic degradation. This research presents a valuable approach for the future utilization of EMSIs in 2e− ORR.
Aerobic Oxidative Synthesis of Formamides from Amines and Bioderived Formyl Surrogates
Authors: Dai Xingchao , Han Yunyan , Jiao Haijun , Shi Feng , Rabeah Jabor , Brückner Angelika
Published: April 2024

Herein we present a new strategy for the oxidative synthesis of formamides from various types of amines and bioderived formyl sources (DHA, GLA and GLCA) and molecular oxygen (O2) as oxidant on g‐C3N4 supported Cu catalysts. Combined characterization data from EPR, XAFS, XRD and XPS revealed the formation of single CuN4 sites on supported Cuphen/C3N4 catalysts. EPR spin trapping experiments disclosed ⋅OOH radicals as reactive oxygen species and ⋅NR1R2 radicals being responsible for the initial C−C bond cleavage. Control experiments and DFT calculations showed that the successive C−C bond cleavage in DHA proceeds via a reaction mechanism co‐mediated by ⋅NR1R2 and ⋅OOH radicals based on the well‐equilibrated CuII and CuI cycle. Our catalyst has much higher activity (TOF) than those based on noble metals.
Strong Interactions between Au Nanoparticles and BiVO4 Photoanode Boosts Hole Extraction for Photoelectrochemical Water Splitting
Authors: He Bing , Cao Yu , Lin Kaijie , Wang Yang , Li Zhen , Yang Yingkui , Zhao Yanli , Liu Xueqin
Published: April 2024

Strong metal‐support interaction (SMSI) is widely proposed as a key factor in tuning catalytic performances. Herein, the classical SMSI between Au nanoparticles (NPs) and BiVO4 (BVO) supports (Au/BVO‐SMSI) is discovered and used innovatively for photoelectrochemical (PEC) water splitting. Owing to the SMSI, the electrons transfer from V4+ to Au NPs, leading to the formation of electron‐rich Au species (Auδ−) and strong electronic interaction (i.e., Auδ−‐Ov‐V4+), which readily contributes to extract photogenerated holes and promote charge separation. Benefitted from the SMSI effect, the as‐prepared Au/BVO‐SMSI photoanode exhibits a superior photocurrent density of 6.25 mA cm−2 at 1.23 V versus the reversible hydrogen electrode after the deposition of FeOOH/NiOOH cocatalysts. This work provides a pioneering view for extending SMSI effect to bimetal oxide supports for PEC water splitting, and guides the interfacial electronic and geometric structure modulation of photoanodes consisting of metal NPs and reducible oxides for improved solar energy conversion efficiency.
Confinement of Sustainable Carbon Dots Results in Long Afterglow Emitters and Photocatalyst for Radical Photopolymerization
Authors: Wang Ping , Ge Min , Luo Xiongfei , Zhai Yingxiang , Meckbach Nicolai , Strehmel Veronika , Li Shujun , Chen Zhijun , Strehmel Bernd
Published: April 2024

Sustainable carbon dots based on cellulose, particularly carboxymethyl cellulose carbon dots (CMCCDs), were confined in an inorganic network resulting in CMCCDs@SiO2. This resulted in a material exhibiting long afterglow covering a time frame of several seconds also under air. Temperature‐dependent emission spectra gave information on thermally activated delayed fluorescence (TADF) and room temperature phosphorescence (RTP) while photocurrent experiments provided a deeper understanding of charge availability in the dark period, and therefore, its availability on the photocatalyst surface. The photo‐ATRP initiator, ethyl α‐bromophenylacetate (EBPA), quenched the emission from the millisecond to the nanosecond time frame indicating participation of the triplet state in photoinduced electron transfer (PET). Both free radical and controlled radical polymerization based on photo‐ATRP protocol worked successfully. Metal‐free photo‐ATRP resulted in chain extendable macroinitiators based on a reductive mechanism with either MMA or in combination with styrene. Addition of 9 ppm Cu2+ resulted in Mw/Mn of 1.4 while an increase to 72 ppm improved uniformity of the polymers; that is Mw/Mn=1.03. Complementary experiments with kerria laca carbon dots confined materials, namely KCDs@SiO2, provided similar results. Deposition of Cu2+ (9 ppm) on the photocatalyst surface explains better uniformity of the polymers formed in the ATRP protocol.
Hydrogen Source Tuned Regiodivergent Asymmetric Hydroalkylations of 2‐Substituted 1,3‐Dienes with Aldehydes by Cobalt‐Catalysis
Authors: Zeng Xian‐Wang , Lin Jia‐Ni , Shu Wei
Published: April 2024

Catalytic methods allowing for the reliable prediction and control of diverse regioselectivity along with the control of enantioselectivity to access different regio‐ and enantiomers by switching the least reaction parameters are one of the most attractive ways in organic synthesis, which provide access to diverse enantioenriched architectures from identical starting materials. Herein, a Co‐catalyzed regiodivergent and enantioselective reductive hydroalkylation of 1,3‐dienes with aldehydes has been achieved, furnishing different enantioenriched homoallylic alcohol architectures in good levels of enantioselectivity. The reaction features the switch of regioselectivity tuned by the selection of proton source. The use of an acid as proton source provided asymmetric 1,2‐hydroalkylation products under reductive conditions, yet asymmetric 4,3‐hydroalkylation products were obtained with silane as hydride source. This catalytic protocol allows for the access of homoallylic alcohols with two continuous saturated carbon centers in good levels of regio‐, diastereo‐, and enantioselectivity.
Methotrexate conjugated polymeric prodrug encapsulating gold nanoparticles for combined chemo/radiation therapies
Authors: Hooshyar Vahid Amani , Mohammadi Ali , Ghorbani Yadollah , Ebrahimi Hossein Ali , Danafar Hossein , Nosrati Hamed , Rajabi Omid
Published: April 2024

Among the potent anticancer agents, methotrexate (MTX) is very effective against many different types of cancer cells. Implementation of chemotherapy along with radiotherapy, known as synchronous chemoradiotherapy, can augment the treatment efficacy. In the present study self‐assembled MTX conjugated mPEG‐PCL copolymer encapsulating gold nanoparticles (AuNPs) hybrid (mPEG‐PCL‐MTX@Au) was developed as both drug carrier and radiosensitizer. After successful synthesis and characterization of hybrids with different techniques such as hydrogen nuclear magnetic resonance (HNMR), Fourier transform infrared spectroscopy (FTIR), ultraviolet–visible (UV‐Vis), x‐ray diffraction analysis (XRD), dynamic light scattering (DLS), and transmission electron microscopy (TEM). The anticancer activity of designed system was evaluated with a series of biological assays. TEM image indicate that AuNPs encapsulated by self‐assembled mPEG‐PCL‐MTX NPs. It was found that the micelle of that shown in the TEM image contains nine gold nanoparticles (NPs). The hydrodynamic diameter of mPEG‐PCL‐MTX@Au was 81.40 ± 8 nm. As a result, at acidic pH, which simulates tumor tissue, the most drug release is done compared to neutral pH conditions, which are the physiological conditions of the body. About 70% of the drug was released in acidic pH, while in alkaline pH, it was about 35%. The effectiveness of cancer treatment was significantly improved by using developed NPs, which introduces simultaneous chemotherapy and radiotherapy. MTT and apoptosis assays show that the mPEG‐PCL‐MTX@Au as the final formulation improves the radiosensitivity of the 4T1 breast cancer cells and also remarkably kills breast cancer. Furthermore, the result revealed that designed hybrid system extremely able to produce reactive oxygen species (ROS) within cancer cells. These results offer powerful evidence for the potential capability of mPEG‐PCL‐MTX@Au in radiosensitization of malignant tumors and opens up a new avenue of research in this area.
Sonification methods for enabling augmented data analysis applied to graphene optoelectronics
Authors: Bergren Adam Johan , Beltaos Angela , van Dijk Alexander
Published: April 2024

This paper presents a simple method to transform two‐dimensional data sets into a format that can be easily processed into sound files. These files can be loaded into software wavetable synthesizers to create audible forms of data that can represent complex information. Some background about sonification will be discussed, and the simple method developed here will be applied to graphene optoelectronics. Some key illustrative examples will be used to demonstrate the method, including data sets from previous work on light emission from graphene field effect transistors. We use the sonification method to show how changes in observed phenomena (e.g., light emission intensity and spectral shape) result in changes of the resulting sound (such as the timbre). Demonstrations are included in video format to hear and illustrate the method and resulting effects.
Benzothiazolium‐based NIR AIE photosensitizers with type I and II ROS generation for efficient mitochondria‐targeted photodynamic therapy
Authors: Ma Zhedong , Wang Qi , Cai Ziying , Chen Zuxiao , Li Nan , Zhao Na
Published: April 2024

In this work, a near‐infrared emissive photosensitizer of 3,3‐dimethyl‐N,N‐diphenyl‐2‐(thiophen‐2‐yl)‐3H‐indol‐6‐amine functionlized benzothiazolium (DPITT) was developed. DPITT exhibited aggregation‐induced emission effect and potent type I and II reactive oxygen species generation capacities after white light irradiation. Taking advantage of the cationic feature, DPITT penetrated the cell membrane and selectively accumulated in the mitochondria in living cells. Upon white light irradiation, the photosensitized DPITT was able to induce mitochondrial dysfunction, leading to cell death. Photosensitized DPITT was further applied to disrupt the multicellular tumour spheroids, demonstrating its potential application in inhibiting hypoxic solid tumours.
Development of a pan‐tau multivalent nanobody that binds tau aggregation motifs and recognizes pathological tau aggregates
Authors: McArthur Nikki , Kang Bokyung , Rivera Moctezuma Felix G. , Shaikh Akber T. , Loeffler Kathryn , Bhatt Nemil N. , Kidd Madison , Zupancic Jennifer M. , Desai Alec A. , Djeddar Naima , Bryksin Anton , Tessier Peter M. , Kayed Rakez , Wood Levi B. , Kane Ravi S.
Published: April 2024

Alzheimer's disease and other tauopathies are characterized by the misfolding and aggregation of the tau protein into oligomeric and fibrillar structures. Antibodies against tau play an increasingly important role in studying these neurodegenerative diseases and the generation of tools to diagnose and treat them. The development of antibodies that recognize tau protein aggregates, however, is hindered by complex immunization and antibody selection strategies and limitations to antigen presentation. Here, we have taken a facile approach to identify single‐domain antibodies, or nanobodies, that bind to many forms of tau by screening a synthetic yeast surface display nanobody library against monomeric tau and creating multivalent versions of our lead nanobody, MT3.1, to increase its avidity for tau aggregates. We demonstrate that MT3.1 binds to tau monomer, oligomers, and fibrils, as well as pathogenic tau from a tauopathy mouse model, despite being identified through screens against monomeric tau. Through epitope mapping, we discovered binding epitopes of MT3.1 contain the key motif VQIXXK which drives tau aggregation. We show that our bivalent and tetravalent versions of MT3.1 have greatly improved binding ability to tau oligomers and fibrils compared to monovalent MT3.1. Our results demonstrate the utility of our nanobody screening and multivalent design approach in developing nanobodies that bind amyloidogenic protein aggregates. This approach can be extended to the generation of multivalent nanobodies that target other amyloid proteins and has the potential to advance the research and treatment of neurodegenerative diseases.
Rosa laevigata Polysaccharides Ameliorate Dextran Sulfate Sodium‐Induced Ulcerative Colitis of Beagles through Regulating Gut Microbiota
Authors: Peng Song , Lu Xuanqi , Lin Fangzhu , Mao Ningning , Yu Lin , Zhu Tianyu , He Jing , Yang Yang , Liu Zhenguang , Wang Deyun
Published: April 2024

Rosa laevigata Michx. polysaccharides (RLP) have been demonstrated to possess antioxidant and anti‐inflammatory properties. However, the mechanisms and efficacy of these polysaccharide components in preventing ulcerative colitis (UC) remain to be elucidated. The efficacy and mechanisms of RLP were investigated in a study that utilized healthy adult beagles to establish a UC model, considering the similarities in gut microbiota between humans and dogs. In the study, the beagle model induced by sodium dextran sulfate exhibited typical symptoms of ulcerative colitis, such as weight loss and diarrhea. All these symptoms and changes were significantly ameliorated through oral supplementation of RLP. Additionally, microbial community analysis based on the 16S rDNA gene revealed that RLP alleviated UC by increasing the abundance of beneficial bacteria and reducing the abundance of harmful bacteria. In conclusion, our study has provided that RLP effectively alleviated colitis by preserving the intestinal barrier and regulating the gut microbiota composition.
Synergistic One‐pot Tandem Combination of Cu and Proline Catalysis: Stereodivergent Synthesis of Chiral Aldols from Primary Alcohols
Authors: López‐Aguilar Marcos , Ramos‐Martín Marina , Ríos‐Lombardía Nicolás , Cicco Luciana , García‐Álvarez Joaquín , Concellón Carmen , del Amo Vicente
Published: April 2024

A new stereodivergent one‐pot tandem protocol, which granted diastereo‐ and enantioselective access to chiral aldols by starting from simple primary alcohols, is presented as a proof‐of‐concept. The synergistic combination of a chemoselective Cu(II)‐catalyzed oxidation of primary alcohols into the corresponding aldehydes (without the expected overoxidation into the corresponding carboxylic acids and using simple aerial O2 as co‐oxidant), followed by a concomitant organocatalyzed enantioselective aldol coupling promoted by the system (S)‐proline/HTBD‐BF4 [TBD=1,5,7‐triazabicyclo[4.4.0]dec‐5‐ene], was achieved after fine‐tuning and compatibilizing the conditions required for the successful performance of both catalytic systems. Here, we demonstrated that selection and pairing of both catalysts needs to be extremely judicious to avoid orthogonality, kinetic, concentration or reciprocal poisoning issues. Refinement of the overall tandem protocol allowed us to design a synergistic and stereodivergent protocol which affords comparable or even better diastereoselective results than the organocatalytic system by itself. Finally, the following key factors (from a sustainable point of view) should be highlighted: i) no external VOC solvents are needed during our one‐pot tandem synthetic protocol (by working under neat conditions); and ii) isolation/purification of any intermediate is not required, thus reducing the chemical waste and energy/time costs, simplifying the practical aspects of our synthetic methodology.
Crop management recommendations: Agroptimizer decision support tool vs. local experts
Authors: Mourtzinis Spyridon , Conley Shawn P.
Published: April 2024

Farmers are making decisions every year under weather variability, input cost fluctuations, and commodity price uncertainty. Traditional replicated field trials cannot recommend actionable knowledge at the field level accounting for all sources of variability and uncertainty. Decision support tools aim to fill the gap that traditional agricultural research cannot. Agroptimizer (www.agroptimizer.com), a machine learning cloud‐based decision support tool (DST) has a user‐friendly interface that users can easily input field and management information and was designed to identify optimum corn and soybean cropping systems, for maximum yield and profit, across the United States. The recommended management practices of the DST were compared against cropping systems that were generated by University of Wisconsin researchers (called typical hereafter) across Wisconsin between 2021 and 2023. Agroptimizer recommendations for corn resulted in similar yield and profit compared to typical. For soybean, Agroptimizer recommendations resulted in increased yield and similar profit compared to typical. There was no downside yield and profit risk difference between Agroptimizer‐based and typical cropping systems for both crops. Overall results showed that Agroptimizer successfully identified cropping systems that resulted in high yield and profit for both crops suggesting that in the absence of available expert recommendation, it can provide management practices with high yield and profit potential. Agroptimizer is being constantly updated and will be evaluated in additional locations across the United States in subsequent years.
Synthesis, Structure and (Photo)Catalytic Behavior of Ce‐MOFs Containing Perfluoroalkylcarboxylate Linkers: Experimental and Theoretical Insights
Authors: Morelli Venturi Diletta , Sole Notari Maria , Trovarelli Letizia , Mosconi Edoardo , Alothman Asma A. , Molokova Anastasia , Ruser Niklas , Meier Christoph , Achenbach Bastian , Lomachenko Kirill A. , del Giacco Tiziana , Costantino Ferdinando , Stock Norbert
Published: April 2024

Cerium‐based Metal‐Organic frameworks (Ce‐MOFs) are attracting increasing interest due to their similar structural features to zirconium MOFs. The redox behavior of Ce(III/IV) adds a range of properties to the compounds. Recently, perfluorinated linkers have been used in the synthesis of MOFs to introduce new characteristic into the structure. We report the synthesis and structural characterization of Ce(IV)‐based MOFs constructed using two perfluorinated alkyl linkers. Their structure, based on hexanuclear Ce6O4(OH)412+ clusters linked to each other by the dicarboxylate ions, has been solved ab‐initio from X‐ray powder diffraction data and refined by the Rietveld method. The crystallization kinetics and the MOF formation mechanism was also invesitigated by Synchrotron radiation with XAS spectroscopies (EXAFS and XANES). The MOFs present the same fcu cubic topology as observed in MOF‐801 and UiO‐66, and they showed good stability in water at different pH conditions. The electronic structure of these MOFs has been studied by DFT calculations in order to obtain insights into the density of states structure of the reported compounds, resulting in band gaps in the range of 2.8–3.1 eV. Their catalytic properties were tested both thermally and under visible light irradiation for the degradation of methyl orange (MO) dye.
Temperature‐Induced Sign Inversion of Circularly Polarized Luminescence of Binaphthyl‐Bridged Tetrathiapyrenophanes
Authors: Takaishi Kazuto , Yoshinami Fumiya , Sato Yoshihiro , Ema Tadashi
Published: April 2024

D2‐symmetric (R)‐binaphthyl‐bridged pyrenophanes containing thioether bonds were synthesized. The pyrenophanes exhibited the temperature‐induced sign inversion of circularly polarized luminescence (CPL) while maintaining the emission wavelength and reversibility. The Δglum value reached 0.02, and the FL quenching by heat was negligible. The sign inversion of CPL originates from the inversion of intramolecular excimer chirality associated with excitation dynamics. The two pyrenes form a kinetically trapped left‐handed twist excimer at low temperatures, while they form a thermodynamically favored right‐handed twist excimer at high temperatures. The thioether linkers can impart flexibility suitable for the inversion of chirality of the excimers.
Optimization of simulation model adaptability and CFD of particles of Geldart‐B in a gas–solid fluidized bed for silicone monomer synthesis
Authors: Fu Boqiang , Lv Guoqiang , Ren Yongsheng , Ma Wenhui , Gu Guangkai
Published: April 2024

The flow characteristics of gas–solid in fluidized bed reactors constrain or promote the reaction process by affecting gas–solid mixing homogeneity, heat transfer timeliness, and fluidization stability. To improve the production efficiency of silicone monomers, this work shows a comparative analysis of the effects of geometric modelling in different dimensions, flow state, and the interphase exchange coefficient on the characteristics of particles of Geldart‐B in a gas–solid fluidized bed for silicone monomer synthesis based on two‐fluid models (TFM). The results of different dimensional simulations show that the third dimension plays an important role in the bubble behaviour and the particle volume fraction spatial distribution within the fluidization zone, and the three‐dimensional simulation results are closer to the experimental data, and the maximum average error of the simulation results is 4.52% lower than that of the two‐dimensional simulation results. Meanwhile, the flow model has a greater influence on the bubble behaviour during the flow process, whereas the interphase force model has little effect on the flow state of small‐diameter particles. However, for large‐diameter particles, the interphase force model is closely related to the bubble behaviour and the direction and size of the vortex, and the lift model prediction of bubble breakage and coalescence behaviours are higher than the experimental results from the power spectrum results. The inlet velocity has a greater effect on the formation of vortices near the wall; with the same inlet velocity, the more dispersed the particle distribution in the bed, and the more uniform the gas–solid mixing.
Discrete element method study of the mixing and heat transfer behaviour of a binary‐size granular system in a rotating drum
Authors: Jiang Hao , Yang Shiliang , Hu Jianhang
Published: April 2024

Understanding the internal solid motion and heat transfer behaviour within rotating drums is paramount for their design and operation across various industries. The discrete element method (DEM) is utilized to elucidate the general flow, mixing, and heat transfer characteristics of particles within rotating drums. Following model validation, this study delves into the mixing behaviour and heat transfer patterns of binary‐size particles in the rotating drum, while also assessing the impact of size ratio and rotating speed. The findings reveal that variations in particle size result in noticeable radial segregation, consequently affecting the heat transfer dynamics of solid phase within the system. Higher rotating speeds enhance mixing and dispersion of solid phase but lead to a decrease in the averaged particle temperature. Furthermore, the heat flux exhibits a negative correlation with particle size. Distinct heat transfer behaviours are observed among particles of different sizes in both active and passive areas, with larger particle size ratios exacerbating segregation, potentially impacting final product quality. In summary, these findings offer crucial insights into heat transfer phenomena in rotating drums, aiding in the design and operation of apparatus.
Impact of minimal lumen segmentation uncertainty on patient‐specific coronary simulations: A look at FFRCT
Authors: Fernández‐Martínez Daniel , González‐Fernández María Reyes , Nogales‐Asensio Juan Manuel , Ferrera Conrado
Published: April 2024

We examined the effect of minimal lumen segmentation uncertainty on Fractional Flow Reserve obtained from Coronary Computed Tomography Angiography . A total of 14 patient‐specific coronary models with different stenosis locations and degrees of severity were enrolled in this study. The optimal segmented coronary lumens were disturbed using intra and inter‐operator variations on the segmentation threshold. was evaluated in each case by 3D‐OD CFD simulations. The findings suggest that the sensitivity of to this type of uncertainty increases distally and with the stenosis severity. Cases with moderate or severe distal coronary lesions should undergo either exact and thorough segmentation operations or invasive FFR measurements, particularly if the is close to the cutoff (0.80). Therefore, we conclude that it is crucial to consider the lesion's location and degree of severity when evaluating results.
Statistically Derived Proxy Potentials Accelerate Geometry Optimization of Crystal Structures
Authors: Antypov Dmytro , Collins Christopher M. , Vasylenko Andrij , Gusev Vladimir V. , Gaultois Michael W. , Darling George R. , Dyer Matthew S. , Rosseinsky Matthew J.
Published: April 2024

The crystal structures of known materials contain the information about the interatomic interactions that produced these stable compounds. Similar to the use of reported protein structures to extract effective interactions between amino acids, that has been a useful tool in protein structure prediction, we demonstrate how to use this statistical paradigm to learn the effective inter‐atomic interactions in crystalline inorganic solids. By analyzing the reported crystallographic data for inorganic materials, we have constructed statistically derived proxy potentials (SPPs) that can be used to assess how realistic or unusual a computer‐generated structure is compared to the reported experimental structures. The SPPs can be directly used for structure optimization to improve this similarity metric, that we refer to as the SPP score. We apply such optimization step to markedly improve the quality of the input crystal structures for DFT calculations and demonstrate that the SPPs accelerate geometry optimization for three systems relevant to battery materials. As this approach is chemistry‐agnostic and can be used at scale, we produced a database of all possible pair potentials in a tabulated form ready to use.
The Use of Real‐World Evidence for Regulatory Decisions in China
Authors: Xu Jiayue , Wu Wenkai , Zhang Xia , Ren Yan , Yao Minghong , Liu Mei , Zou Kang , Wang Wen , Sun Xin
Published: April 2024

There is a growing demand for the use of high‐quality real‐world evidence (RWE) to support regulatory decision‐making worldwide and in China, which highlights the need for conducting literature reviews to evaluate the available data and evidence. This study aims to review the use of RWE in Chinese regulatory decisions and to summarize relevant regulatory and methodological considerations to inform the future use of RWE in China. We identified policy documents, technical guidance documents, and cases on official Chinese government websites and extracted their contents separately. We consulted experts from the National Medical Products Administration (NMPA) and academic institutes and searched case‐related articles for enrichment. We also searched and included articles related to the use of RWE/Real‐world data in Chinese regulatory decisions. Six trial versions of technical guidance documents, 7 case studies, and 40 articles related to the Chinese regulatory decisions were included in this study. Based on the technical guidance, data quality, and appropriate study design and statistical analysis are the main concerns for RWE generation. The cases and articles related to regulatory decisions revealed 9 main concerns, including data sources and applicability, data quality, strength of existing evidence, appropriate study design and statistical analysis, regulated and transparent process for analysis and evidence generation, product safety and efficacy, product characteristics and clinical needs, ethical considerations and data security, and communicate adequately with regulatory authorities. Among these concerns, data issues are central. Preliminary attempts have been made by the NMPA to promote the use of RWE, but substantial challenges still remain.
Understanding the Solid‐Electrolyte‐Interface (SEI) Formation in Glyme Electrolyte Using Time‐Of‐Flight Secondary Ion Mass Spectrometry (ToF‐SIMS)
Authors: Padwal Chinmayee , Pham Hong Duc , My Hoang Linh Thi , Mundree Sagadevan , Nanjundan Ashok Kumar , Krishnan Syam G. , Dubal Deepak
Published: April 2024

Lithium‐ion batteries are commonly used for energy storage due to their long lifespan and high energy density, but the use of unsafe electrolytes poses significant health and safety concerns. An alternative source is necessary to maintain electrochemical efficacy. This research demonstrates new safe glyme‐based electrolytes for silica/carbon (SiOx/C) nanocomposite derived from Australian rice husk (RH). The quality of SiOx/C was preserved by using deep eutectic solvent‐based pre‐treatment and single‐step carbonization, which was confirmed through the X‐ray analysis of the crystalline phase of silica. The electrochemical assessment of SiOx/C anode using various glyme‐based electrolytes for LIBs was carried out. Among them, the resultant half cells based on diglyme electrolyte is superior to others with the first discharge capacity at 1274 mAh/g and a reversible discharge capacity of 759.7 mAh/g. Ex‐situ SEM and Time‐of‐Flight Secondary Ion Mass Spectrometry (ToF‐ SIMS) analysis of the electrode indicated that diglyme not only improves the capacity but also sustains the electrode architecture for longer cycle life with more LiF‐based components and also showed the absence of HF components. Importantly, the addition of fluoroethylene carbonate (FEC) additive enhanced the cycling stability. These results provide a new perspective on developing advanced SiOx/C anode using glyme electrolytes for Li‐ion batteries.
The Inorganic Ligand‐Supported Copper Catalyst Catalyzing Alkyne Coupling Reactions
Authors: Deng Mengjie , Xie Ya , Zhou Junting , Shi Da , Han Sheng , Wu Linke , Yu Han
Published: April 2024

Glaser‐coupled synthesized 1,3‐diyne can participate in the generation of conjugated polymers and is now widely used in organic and polymer synthesis. Currently, the catalyst in coupling are mostly based on the complexation of noble metals with complex organic ligands, which inevitably increases the research cost and storage difficulty. However, polyoxometalates (POMs), with acidic and redox properties, can be used as an excellent inorganic ligands with low cost and easy storage. In this work, we have synthesized copper catalyst 1, (NH4)4[CuMo6O18(OH)6] with polyoxometalates as inorganic ligands in a facile way and applied them in the coupling of alkynes to obtain (non)symmetrical conjugated 1,3‐diynes in high yields without bases, finally proposing a reasonable reaction path. In addition, the catalyst showed good tolerance to a variety of different groups, further demonstrating its excellent catalytic activity. It is worth mentioning that the catalyst maintained its good structure and activity after six cycles, demonstrating its promising potential for industrial applications. Thus, this paper provides a new strategy for the preparation of (un)symmetrical diynes using polyoxometalates of Cu as catalyst, and also demonstrates the potential of multi‐acid catalyst for organocatalytic applications.
Biopolymer Binders for Low‐Temperature Operation of TiNb2O7 Anode in Li‐Ion Batteries
Authors: Leones Rita , Hantusch Martin , Pazek Sebastian , Ding Ling , Buckan Ronny , Maletti Sebastian , Dmitrieva Evgenia , Mikhailova Daria
Published: April 2024

The widespread use of lithium‐ion batteries underlines the criticality of a more sustainable cell fabrication. Here, three biopolymers gelatin, pectin, and deoxyribonucleic acid (DNA) are investigated as binders for the TiNb2O7 anode material in Li cells in a temperature range between 0 and 60 ºC and compared to conventional binder polyvinylidene fluoride (PVDF). The use of biopolymers is motivated by their own environmental friendliness and the possibility to implement an aqueous electrode processing. A specific charge capacity of at least 200 mAh g−1 is found for all binders at 0 °C when testing the cycling performance of TiNb2O7 at 77.5 mA g−1 (1C rate). However, low‐rate cycling at 60 °C shows decreasing capacity for all biopolymers due to the swelling effect and continuous contact loss to the current collector, what also reflects in lowering the overall Li‐diffusion coefficient. This effect becomes less pronounced at 0 °C and high current densities, making biopolymers competitive with commercial PVDF. The electrodes with DNA binder demonstrate overall the most stable performance, arising from the biopolymer intactness and a thin solid–electrolyte interface layer. At 0 °C, the electrode with DNA provides 150 mAh g−1 at 775 mA g−1 for at least 500 discharge–charge cycles.
Continuous glucose monitoring as an objective measure of meal consumption in individuals with binge‐spectrum eating disorders: A proof‐of‐concept study
Authors: Presseller Emily K. , Parker Megan N. , Zhang Fengqing , Manasse Stephanie , Juarascio Adrienne S.
Published: April 2024

Objective

Going extended periods of time without eating increases risk for binge eating and is a primary target of leading interventions for binge‐spectrum eating disorders (B‐EDs). However, existing treatments for B‐EDs yield insufficient improvements in regular eating and subsequently, binge eating. These unsatisfactory clinical outcomes may result from limitations in assessment and promotion of regular eating in therapy. Detecting the absence of eating using passive sensing may improve clinical outcomes by facilitating more accurate monitoring of eating behaviours and powering just‐in‐time adaptive interventions. We developed an algorithm for detecting meal consumption (and extended periods without eating) using continuous glucose monitor (CGM) data and machine learning.

Method

Adults with B‐EDs (N = 22) wore CGMs and reported eating episodes on self‐monitoring surveys for 2 weeks. Random forest models were run on CGM data to distinguish between eating and non‐eating episodes.

Results

The optimal model distinguished eating and non‐eating episodes with high accuracy (0.82), sensitivity (0.71), and specificity (0.94).

Conclusions

These findings suggest that meal consumption and extended periods without eating can be detected from CGM data with high accuracy among individuals with B‐EDs, which may improve clinical efforts to target dietary restriction and improve the field's understanding of its antecedents and consequences.
Why don't women engage in muscle strength exercise? An integrative review
Authors: Stimson A. M. , Anderson C. , Holt A.‐M. , Henderson A. J.
Published: April 2024

Issue Addressed

Women are ‘at‐risk’ population for failing to meet muscle strengthening guidelines. Health benefits specific to this exercise mode include maintenance of muscle mass, which is associated with reduced risk of chronic disease and falls. Of significance is the progressive decline in muscle strength exercise participation in women aged 35–54 in Australia. This period is critical for maintaining muscle strength as it establishes foundations for older women's engagement. This integrative review examined available evidence regarding factors influencing muscle strength exercise participation, specifically in women aged 35–54.

Methods

Seven databases were searched. Study inclusion criteria were: (1) peer reviewed, (2) English language, (3) sample populations of healthy female adults or general adult sample population differentiating females from males, (4) mean age between 35 and 54 years, (5) focused on muscle strength exercise and measured as the primary outcome factors of participation in muscle strength exercise.

Findings

Five of 1895 studies met inclusion criteria. Five key factors were associated with participation in muscle strength exercise of women aged 35–54 years: perceived time constraints; knowledge and education; modality and intensity; social support and behavioural strategies.

Conclusions

Focused education on strength exercise and guidelines, plus initiatives and strategies that suit the needs of this cohort, are necessary to achieve health and wellbeing benefits. Responsive approaches by health professionals to these women's circumstances can potentially address current low participation levels.

So What?

Creating conditions where health professionals respect a woman's exercise preferences can positively impact these women's musculoskeletal health into older age.
Comparison of Ba‐Hao burn ointment gauze and petrolatum gauze in split graft donor site healing: A randomized, prospective, and self‐control study
Authors: Liu Wen‐Jing , Qian Han‐Ying , Zhang Yuan‐Yuan , Qiu Le , Wang Fei , Chen Xu‐Lin
Published: April 2024

Background and Aims

To assess patient comfort, wound healing, and scarring at the 6‐month follow‐up of split‐skin graft donor sites treated with Ba‐Hao burn ointment (BHBO) gauze, a compound preparation of traditional Chinese medicine since 1970s, compared with petrolatum gauze.

Methods

Thirty patients admitted to the Department of Burns of the First Affiliated Hospital of Anhui Medical University between September 2021 and September 2022 participated in this randomized, prospective, self‐control clinical study. After harvesting the split skin, donor sites were divided into two parts along the midline. BHBO gauze was applied to half of the donor wounds, and petrolatum gauze was applied to the other half. The wound healing time, pain scores on the postoperative Days 3, 6, and 9, and Vancouver Scar Scale (VSS) score at the 6‐month follow‐up were assessed.

Results

The wound healing time was significantly shorter in the BHBO group than in the control group (10.07 ± 1.48 days vs. 11.50 ± 1.74 days, p < 0.001). On postoperative Days 3 and 6, the pain scores quantified by visual analog scores were significantly lower in the BHBO group than in the control group (5.33 ± 1.54 and 4.17 ± 1.51, respectively vs. 7.57 ± 1.41 and 5.20 ± 1.47, respectively). The difference in the visual analog scale score on postoperative Day 9 between the groups was not significant (p > 0.05). Microbiological assessment revealed the absence of bacterial contamination in both groups. At the 6‐month follow up, the VSS score was significantly lower in the BHBO group (6.67 ± 1.92) than in the control group (9.57 ± 1.55).

Conclusion

BHBO resulted in faster donor‐site healing, reduced postoperative pain, and improved scar quality at the 6‐month follow‐up than petrolatum gauze alone.
Assessment of TNF‐α (‐857 C/T) gene polymorphism in oral lichen planus disease: A case–control study
Authors: Marabi Mohammad Hesam , Yari Kheirollah , Mozaffari Hamid Reza , Hatami Masoud
Published: April 2024

Background and aims

Oral lichen planus (OLP) is an inflammatory mucocutaneous disorder with an immune‐mediated pathogenesis. The tumor necrosis factor‐α (TNF‐α) level in the serum of OLP patients is significantly higher than in the control group. TNF‐α‐857 C/T polymorphism can be related to the increased TNF‐α level in blood circulation. This study investigated the relationship between TNF‐α (‐857 C/T) polymorphism and OLP patients in an Iranian population.

Methods

Saliva samples were taken from 200 people, including 100 patients with OLP and 100 healthy people who did not have significant differences in age and sex. Then, DNA was extracted from them and the TNF‐α (‐857 C/T) genotype was identified using the polymerase chain reaction with confronting two‐pair primers method. Statistical Package for the Social Sciences version 16 software analyzed the results.

Results

The frequency of C/C, C/T, and T/T genotypes of the TNF‐α‐857 C/T polymorphism in the patient group were 78%, 18%, and 4%, respectively, and in the control group were 72%, 23%, and 5%, respectively. The differences between the two groups regarding allele (χ2  =  0.97, p  = 0.32) and genotype (χ2  =  0.96, p  = 0.62) frequency among the studied population were insignificant.

Conclusion

This study showed that the difference in the frequency of single nucleotide polymorphism TNF‐α‐857 C/T polymorphism in the patient and control group had no significant relationship with the increased OLP incidence. Also, no significant association was observed between allele and genotype frequency of TNF‐α (‐857 C/T) with OLP subtypes.
An unusual case of gallbladder ascariasis in pregnancy
Authors: Dorjey Yeshey , Gyeltshen Tashi , Dorji Namkha
Published: April 2024

Synopsis

Gallbladder ascariasis in pregnancy presents with protracted nausea and vomiting.
Compound heterozygous mutations in three Chinese patients of Segawa syndrome and their treatment outcomes
Authors: Zhang Jie , Huang Yaxin , Hu Yulei , Bai Bing
Published: April 2024

Segawa syndrome is a rare autosomal recessive form of dopa‐responsive dystonia resulting from TH gene dysfunction. Patients typically exhibit symptoms such as generalized dystonia, rigidity, tremors, infantile Parkinsonism, and pseudo‐spastic paraplegia. Levodopa is often an effective treatment. Due to its rarity, high heterogeneity, and poorly understood pathological mutation and phenotype spectrums, as well as genotype–phenotype and genotype‐treatment outcome correlations, Segawa syndrome poses diagnostic and therapeutic challenges. In our study, through clinical and molecular analyses of three Chinese Segawa patients, we re‐evaluated the pathogenicity of a TH mutation (c.880G>C;p.G294R) previously categorized as “Conflicting classifications of pathogenicity” in ClinVar. Also, we summarized the clinical phenotypes of all reported Segawa syndrome cases until 2023 and compared them with our patients. We identified a novel phenotype, “cafe‐au‐lait macules,” not previously observed in Segawa patients. Additionally, we discussed the correlation between specific genotypes and phenotypes, as well as genotypes and treatment outcomes of our three cases. Our findings aim to enhance the understanding of Segawa syndrome, contributing to improved diagnosis and treatment approaches in the future.