bluuebunny/crossref_metadata_2025 huggingface dataset:
Molecular design of two-dimensional donor–acceptor covalent organic frameworks for intramolecular singlet fission
Authors: Fumanal Maria
Published: May 2023

The donor–acceptor copolymer strategy for intramolecular Singlet Fission is applied for the molecular design of functional 2D covalent organic frameworks.
Remote template effect in the synthesis of bipyridine-strapped porphyrins
Authors: Berthe Mathilde , Kagawa Yoshiyuki , Riquet Axel , Hayashi Takashi , Weiss Jean , Wytko Jennifer A.
Published: May 2023

The use of a remote template improves the yields of bipyridine-strapped porphyrins by up to 10 times.
Electrochemical C–F bond activation of trifluoromethylarenes using silylium ions
Authors: Mondal Subhojit , Stevanovic Boris , Butler Eric , Wang Jason W. , Meanwell Michael W.
Published: May 2023

We report a mild, electrochemical trihydrodefluorination (e-THDF) for breaking highly stable C–F bonds in trifluoromethyl arenes to form the corresponding methyl arene products.
Solubilization of elemental sulfur by surfactants promotes reduction to H2S by thiols
Authors: Garcia Arman C. , Pluth Michael D.
Published: May 2023

Surfactants solubilize S8 in water and promote thiol-mediated reduction to form H2S. Anionic and cationic surfactants have different impacts on the resultant reactive sulfur species distribution.
Fullerenes, carbon nanotubes and graphene as tetrel bond donors and acceptors of electrophiles
Authors: Varadwaj Pradeep R. , Varadwaj Arpita , Marques Helder , Yamashita Koichi
Published: May 2023

The signs of the extrema of the molecular electrostatic surface potential (MESP) are an effective means of probing the surface reactivity behavior of carbonaceous molecules.
Mechanochemical synthesis of drug–drug eutectics of the antibacterial agent, linezolid
Authors: Winson Cinu , Varughese Sunil
Published: May 2023

Seven novel drug–drug eutectics of the antibacterial drug, linezolid, prepared by mechanochemical synthetic routes, exhibit superior dissolution and solubility properties.
Nonadiabatic heavy atom tunneling in 1nσ*-mediated photodissociation of thioanisole
Authors: Li Chaofan , Hou Siting , Wang Zhimo , Xie Changjian
Published: May 2023

Nonadiabatic predissociation of S1 thioanisole after photoexcitation takes place by heavy atom tunneling.
Tunable and three-dimensional dual-band metamaterial absorber based on electromagnetically induced transparency with vanadium dioxide
Authors: Chen Mingming , Yang Xue-Xia
Published: May 2023

A dual-band metamaterial absorber based on the EIT effect can be dynamically controlled by tuning the conductivity of VO2, and the maximum absorptions of the two absorption peaks are 97.5% and 96.5%.
Spatial imaging of catalyst poisoning with SO2 on Pt/C PEFC electrocatalyst by operando Pt LIII-edge XAFS-CT imaging
Authors: Matsui Hirosuke , Sato Koshin , Isobe Naoko , Samjeské Gabor , Uruga Tomoya , Tada Mizuki
Published: May 2023

Operando XAFS imaging for the SO2 poisoning of PEFC.
Implementation of rare isotopologues into machine learning of the chemical inventory of the solar-type protostellar source IRAS 16293-2422
Authors: Fried Zachary T. P. , Lee Kin Long Kelvin , Byrne Alex N. , McGuire Brett A.
Published: May 2023

Using machine learning methods to model and predict molecular column densities toward the Class 0 protostar IRAS 16293-2422B.
A cycle-durable hollow nanoneedle structure with a nanosheet as a conductive substrate CoS1.097/Ni9S8@RGO to enhance supercapacitor performance
Authors: Wang Yanmin , Sun Chong , Zhao Hu , Cui Jinlong , Zhang Yongqiang , He Wenxiu
Published: May 2023

Metal sulfides are promising supercapacitor electrode materials with a large theoretical capacity and rich operability.
Large-scale computational polymer solubility predictions and applications to dissolution-based plastic recycling
Authors: Zhou Panzheng , Yu Jiuling , Sánchez-Rivera Kevin L. , Huber George W. , Van Lehn Reid C.
Published: May 2023

We demonstrate a joint computational and experimental approach to predict polymer solubilities at a large scale. This approach can facilitate solvent screening and process design for dissolution-based plastic recycling processes.
Metal-free radical-mediated alkylfunctionalization of ethylene and low-boiling-point alkenes
Authors: Zhang Xu , Wu Xinxin , Chen Yasu , Zhu Chen
Published: May 2023

We report a metal-free approach for radical alkylfunctionalization of gaseous ethylene and other light alkenes by remote functional group migration.
Synthesis and pharmacological evaluation of 1,3-diaryl substituted pyrazole based (thio)urea derivatives as potent antimicrobial agents against multi-drug resistant Staphylococcus aureus and Mycobacterium tuberculosis
Authors: Ommi Ojaswitha , Naiyaz Ahmad Mohammad , Gajula Siva Nageswara Rao , Wanjari Parita , Sau Shashikanta , Agnivesh Puja Kumari , Sahoo Santosh Kumar , Kalia Nitin Pal , Sonti Rajesh , Nanduri Srinivas , Dasgupta Arunava , Chopra Sidharth , Yaddanapudi Venkata Madhavi
Published: May 2023

One lead compound, 7a, (3,4-dichlorophenyl derivative), exhibited potent activity against S. aureus (MIC = 0.25 μg mL−1), and the other compound, 7j (2,4-difluorophenyl derivative) against Mycobacterium tuberculosis (MIC = 1 μg mL−1) without any appreciable cytotoxicity.
Medicinal chemistry approaches to target the MNK–eIF4E axis in cancer
Authors: Fernandez Ann , Monsen Paige J. , Platanias Leonidas C. , Schiltz Gary E.
Published: May 2023

Cap-dependent translation can become defective and lead to aberrant oncogenic translation and uncontrolled proliferation. We discuss the functions of MNK and eIF4E and recent medicinal chemistry to develop small molecules to target this axis.
A dual-locked triarylamine donor enables high-performance deep-red/NIR thermally activated delayed fluorescence organic light-emitting diodes
Authors: Wang Hui , Chen Jia-Xiong , Zhou Lu , Zhang Xi , Yu Jia , Wang Kai , Zhang Xiao-Hong
Published: May 2023

Fluorenes are employed to lock biphenyl groups in triarylamine units. Such a novel donor block brings about numerous advantages, enabling a thermally activated delayed fluorescence emitter with state-of-the-art deep-red/NIR efficiencies in OLEDs.
Excellent Cr(vi) adsorbent made from pyrolyzed green coconut trash with parametric modelling and optimization using RSM and experimental data
Authors: Kumar Ashwani , Upadhyay S. N. , Mishra P. K. , Mondal Monoj Kumar
Published: May 2023

Surface characteristics of coconut biochar before and after adsorption.
Metal–organic framework derived Co3S4 nanosheets grown on Ti mesh: an efficient electrocatalyst for electrochemical sensing of hydrazine
Authors: Wang Jiankang , Li Rui , Li Rong , Xie Taiping , Liu Songli , Wang Yajing
Published: May 2023

Co3S4 nanosheets on Ti mesh (Co3S4/TM) synthesized by a liquid phase reaction, subsequent anion exchange reaction and final hydrothermal vulcanization with Co-MOF as a precursor exhibit superior hydrazine sensing performance.
Fenton-like degradation of bisphenol A by Fe3O4 rhombic dodecahedrons
Authors: Zhu Jinglin , Zhu Meng , Peng Juanjuan
Published: May 2023

Fe3O4 rhombic dodecahedral nanoparticles (Fe3O4-R) with exposed {110} facets were synthesized via the solvothermal method and used as Fenton-like catalysts for the degradation of bisphenol A.
Spatial resolution enhancement in photon-starved STED imaging using deep learning-based fluorescence lifetime analysis
Authors: Chen Yuan-I , Chang Yin-Jui , Sun Yuansheng , Liao Shih-Chu , Santacruz Samantha R. , Yeh Hsin-Chih
Published: May 2023

In this work, a deep learning-based method, STED-flimGANE, is introduced to achieve enhanced STED imaging resolution under a low STED-beam power and photon-starved conditions.
An amphiphilic material arginine–arginine–bile acid promotes α-synuclein amyloid formation
Authors: Lin Yuxi , Park So-Hyeon , Bok Eugene , Heo Yunseok , Yang Seong-Bin , Yi Yoon-Sun , Lee Jun-Hyuck , Seo Donghyun , Jo Eunae , Lim Sungsu , Kim Yun Kyung , Kardos József , Ryu Kyoung-Seok , Kim Jaekwang , Park Jooho , Lee Young-Ho
Published: May 2023

We developed a novel amphiphilic material, arginine-arginine (RR)-bile acid (BA). RR-BA selectively binds to aSN in Parkinson’s disease and boosts aSN amyloidogenesis through a mechanism of electrostatic binding-hydrophobic condensation.
Spray-assisted deposition of a SnO2 electron transport bilayer for efficient inkjet-printed perovskite solar cells
Authors: Satale Vinayak Vitthal , Kumar Neetesh , Lee Hock Beng , Ovhal Manoj Mayaji , Chowdhury Sagnik , Tyagi Barkha , Mohamed Asmaa , Kang Jae-Wook
Published: May 2023

A mesoporous SnO2-electron transport bilayer with a high surface-area-to-volume ratio is developed for application in inkjet-printed PSCs (IJP-PSCs). The use of SnO2-bilayer has uplifted the efficiency of IJP-PSCs up to a maximum of 16.9%.
Nanoarchitectonics for inorganic chemistry frontiers
Authors: Ariga Katsuhiko
Published: May 2023

This short article discusses nanoarchitectonics as a frontier in inorganic chemistry as exemplified by high entropy alloys, quasi-subnanometer-sized particles, probe-manipulated nanomaterials, and interfacial-processed nanofilms.
Advances in organic cathode materials for aqueous multivalent metal-ion storage
Authors: Miao Ling , Song Ziyang , Du Wenyan , Zheng Xunwen , Lv Yaokang , Gan Lihua , Liu Mingxian
Published: May 2023

Advances in organic cathode materials for aqueous multivalent metal-ion storage are briefly reviewed for realizing more sustainable, affordable, and high-performance electrochemical energy storage.
A novel CEST-contrast nanoagent for differentiating the malignant degree in breast cancer
Authors: Chen Bixue , Meng Xianfu , Wu Wanlu , Zhang Yuwen , Ma Lin , Chen Kaidong , Fang Xiangming
Published: May 2023

A new nano-contrast agent had been designed to respond to the pH of the microenvironment of breast cancer, enabling CEST MRI imaging to identify the aggressiveness of different subtypes of breast cancer.
An electrothermal platform for active droplet manipulation
Authors: Liu Yahua , Xia Yuhang , Zhan Haiyang , Lu Chenguang , Yuan Zichao , Zhao Lei
Published: May 2023

WS-SLIPS features spontaneous and controllable droplet transport capability to initiate, brake, lock, and resume the directional motion of various liquid droplets under the control of preset DC voltage (∼12 V).
Synthesis of methanol over highly dispersed Cu–Fe based catalysts derived from layered double hydroxides
Authors: Tian Jing , Qian Weixin , Zhang Haitao , Ma Hongfang , Ying Weiyong
Published: May 2023

In this paper, catalysts with different aluminum contents were prepared by a co-precipitation method using LDHs (layered double hydroxides) as the precursors through the adjustment of Cu2+ : Fe2+, and the catalysts were named LDO catalysts.
An overview of the synthetic strategies ofC3-symmetric polymeric materials containing benzene and triazine cores and their biomedical applications
Authors: Alshubramy Maha A. , Alamry Khalid A. , Hussein Mahmoud A.
Published: May 2023

C3-symmetric star-shaped materials are an emerging category of porous organic polymers with distinctive appropriate functionalization properties that promote outstanding potential in various applications.
A library of new organofunctional silanes obtained by thiol-(meth)acrylate Michael addition reaction
Authors: Przybylska Agnieszka , Szymańska Anna , Maciejewski Hieronim
Published: May 2023

A simple and efficient method for the synthesis of organofunctional silanes by the thiol-(meth)acrylate addition reaction is presented.
Electrochemical capacitance properties of pre-sodiated manganese oxide for aqueous Na-ion supercapacitors
Authors: Nechikott Aneesh Anand , Nayak Prasant Kumar
Published: May 2023

Hydrothermally synthesized Na2/3MnO2 exhibited a specific capacitance of 234 F g−1 at 0.4 A g−1, which is higher than 115 F g−1 for Mn2O3.
Novel Mn4-Co2 nanocluster@photosensitizers/SalenCo(iii) catalyze the copolymerization of carbon dioxide and propylene oxide
Authors: Yang ZhiWei , Du LongChao
Published: May 2023

In general, transition metals (TMs) often facilitate highly efficient catalysis.
Synthesis of N-, O-, and S-heterocycles from aryl/alkyl alkynyl aldehydes
Authors: Doraghi Fatemeh , Mohaghegh Farid , Qareaghaj Omid Hosseinchi , Larijani Bagher , Mahdavi Mohammad
Published: May 2023

Preparation of many kinds of N-, O-, and S-heterocycles from aryl/alkyl alkynyl aldehydes were investigated in recent years. In this review, the synthesis of bioactive heterocycles using by substituted alkynyl aldehydes is highlighted.
An ab initio DFT perspective on experimentally synthesized CuBi2O4
Authors: Hossain Quazi Shafayat , Ahmed Shahran , Nishat Sadiq Shahriyar , Hossain Md. Zarif , Khan M. N. I. , Hasan Tarique , Bashar Muhammad Shahriar , Hakim Mahmuda , Syed Ishtiaque M. , Hossain Khandker Saadat , Ahmed Imtiaz
Published: May 2023

A comprehensive density functional theory guided experimental study of copper bismuth oxide CuBi2O4 to gain a better understanding of its functional properties relevant to photocatalytic activity.
Highly magnetic hybrid foams based on aligned tannic acid-coated iron oxide nanoparticles and TEMPO-oxidized cellulose nanofibers
Authors: Hadi Seyed Ehsan , Yeprem H. Aygül , Åhl Agnes , Morsali Mohammad , Kapuscinski Martin , Kriechbaum Konstantin , Sipponen Mika H. , Bergström Lennart
Published: May 2023

The use of both magnetic field-enhanced unidirectional ice-templating (MFUIT) and unidirectional ice-templating (UIT) techniques of dispersions can lead to the production of highly magnetic hybrid anisotropic foams with a high amount of IONP.
Isopropenyl phosphate as an atom efficient reagent for phosphorylation of alcohols with catalytic base
Authors: Wéry Jens , Beckers Igor , De Vos Dirk E.
Published: May 2023

The atom efficient transesterification of phosphate esters with catalytic base was investigated using an isopropenyl leaving group, generating acetone as the only by-product.
Ultrafine ZnCo2O4 QD-incorporated carbon nitride mediated peroxymonosulfate activation for norfloxacin oxidation: performance, mechanisms and pathways
Authors: Zeng Tao , Jin Sijia , Jin Zhiquan , Li Shuqi , Zou Rui , Zhang Xiaole , Song Shuang , Liu Min
Published: May 2023

A 0D metal oxide quantum dot (QD)–2D ultrathin g-C3N4 nanosheet (ZnCo2O4/g-C3N4) hybrid was facilely fabricated through a one-pot hydrothermal process and used as an efficient PMS activator.
Tandem addition of nucleophilic and electrophilic reagents to vinyl phosphinates: the stereoselective formation of organophosphorus compounds with congested tertiary carbons
Authors: Lin Zhu , Zhai De-Hua , Sun Yong-Ming , Zheng Hong-Xing , Li Qiang , Wang Yan-Lan , Wen Jing-Hong , Zhao Chang-Qiu
Published: May 2023

Carbon anions formed via the addition of Grignard reagents to SP-vinyl phosphinates were modified with electrophilic reagents to afford organophosphorus compounds with diverse carbon skeletons.
Mechanistic modeling, parametric study, and optimization of immobilization of enzymatic cascades in porous particles
Authors: Paschalidis Leandros , Arana-Peña Sara , Sieber Volker , Burger Jakob
Published: May 2023

A framework for simulating and optimizing reaction processes catalyzed by enzymes immobilized in porous particles was developed. The conditions under which four different spatial immobilization distributions are advantageous were determined.
Effect of temperature on the CO2 splitting rate in a DBD microreactor
Authors: Khunda Deema , Li Sirui , Cherkasov Nikolay , Rishard Mohamed Z. M. , Chaffee Alan L. , Rebrov Evgeny V.
Published: May 2023

Ground electrode cooling improved CO2 conversion in a DBD microreactor. A maximum in CO2 conversion of 10.6% was observed at a gas temperature of 363 K.
Tuning the catalytic performance of a Cu supported silica modified γ-Al2O3 nanocatalyst via cobalt-doping for A3-coupling
Authors: Kaur Manpreet , Sharma Shally , Choudhary Anu , Paul Satya
Published: May 2023

The introduction of Co2+-ions as a dopant greatly improved the catalytic performance of a supported Cu catalyst for the efficient synthesis of propargylamines via A3-coupling, owing to the electronic synergism between Cu NPs and Co2+-ions.
Colossal negative thermal expansion in a cucurbit[8]uril-enabled uranyl-organic polythreading framework via thermally induced relaxation
Authors: Jin Qiu-Yan , Liang Yuan-Yuan , Zhang Zhi-Hui , Meng Liao , Geng Jun-Shan , Hu Kong-Qiu , Yu Ji-Pan , Chai Zhi-Fang , Mei Lei , Shi Wei-Qun
Published: May 2023

A highly flexible uranyl-organic polythreading framework enabled by cucurbit[8]uril-based host–guest complexation exhibits remarkable negative thermal expansion behaviour through a relaxation-related mechanism.
A focus on anionic boron anthracenes and triptycenes as entry point toward B-doped polyaromatic materials and Lewis acids
Authors: Berionni Guillaume
Published: May 2023

This article highlights the recent work of M. Wagner and collaborators on the synthesis, bridgehead functionalization, and photoisomerization of boron-doped triptycene derivatives (https://doi.org/10.1039/D3SC00555K).
Design and characterization of molecular, crystal and interfacial structures of PVDF-based dielectric nanocomposites for electric energy storage
Authors: Zhu Ning , Zhou Jingtao , Zhang Lei , Yao Ni , Dastan Davoud , Zhang Jian , Chen Yingxin , Zhang Xuefeng
Published: May 2023

PVDF-based polymers with rich molecular structures and interface engineering for electric energy storage.
CO2heterogeneous hydrogenation to carbon-based fuels: recent key developments and perspectives
Authors: Guo Lisheng , Guo Xiaoyu , He Yinglue , Tsubaki Noritatsu
Published: May 2023

Directly converting CO2into carbon-based fuels is an alternative route to produce valuable fuels.
Nitrogen-doped sp3carbon dot catalysed two-electron electrochemical oxygen reduction for efficient production of hydrogen peroxide
Authors: Shen Jianhua , Qiu Xinyue , Zhu Yihua
Published: May 2023

The nitrogen-doped DCDs electrocatalysts emerge the efficient production of hydrogen peroxide, which can achieve near 100% selectivity for the 2e−path of ORR, and the yield reached 1302.14 mmol gCatalyst−1h−1in the H-type electrolytic cell.
Dissolving microneedles based on ZnO nanoparticles and an ionic liquid as synergistic antibacterial agents
Authors: Li Xiaodan , Du Wenzhen , Xu Wenxin , Ling Guixia , Zhang Peng
Published: May 2023

ZnO NPs had good dispersion in the employed IL, which made the ZnO NPs and the IL exhibit a synergistic antibacterial effect. The DMNs prepared using the ZnO NPs/IL dispersion as an antibacterial agent exhibited a good antibacterial effect.
Construction of a myocardial patch with mesenchymal stem cells and poly(CL-co-TOSUO)/collagen scaffolds for myocardial infarction repair by coaxial electrospinning
Authors: Wang Yingwei , Fan Zepei , Li Qi , Lu Jianlong , Wang Xiaoying , Zhang Jianhua , Wu Zheng
Published: May 2023

PCT/collagen core shell nanofibers with elasticity similar to a natural myocardium were developed as scaffolds of a MSC cardiac patch, and the MSC patch improved the MI cardiac function by providing mechanical support and viable stem cells.
A pDNA/rapamycin nanocomposite coating on interventional balloons for inhibiting neointimal hyperplasia
Authors: Lai Yu-xian , Fu Jia-yin , Wu Shao-fei , Li Ren-yun , Hu Jia-qi , Wang You-xiang , Martins M. Cristina L. , Ren Ke-feng , Ji Jian , Fu Guo-sheng
Published: May 2023

A PrS/pDNA/RAPA nanocomposite coating of a drug-coated balloon inhibits neointimal hyperplasia and facilitates endothelial regeneration after balloon-induced vascular injuries.
Diselenide-crosslinked nanogels laden with gold nanoparticles and methotrexate for immunomodulation-enhanced chemotherapy and computed tomography imaging of tumors
Authors: Jia Bingyang , Gao Yue , Ouyang Zhijun , Shen Siyan , Shen Mingwu , Shi Xiangyang
Published: May 2023

Diselenide-crosslinked nanogels can be loaded with gold nanoparticles and methotrexate for immunomodulation-enhanced chemotherapy and computed tomography imaging of tumors.
Magnetically driven hierarchically ordered carbonyl iron@SiO2/Ni@Ag/silicone rubber composite film for enhanced electromagnetic interference shielding with ultralow reflection
Authors: Chen Teng , Cai Jun , Gong De , Cheng Xiang , Liu Peng , Zhang Deyuan
Published: May 2023

Multilayered, highly ordered, and heterogeneously constructed flexible composite film can greatly reduce secondary electromagnetic pollution and maintain effective EMI shielding performances under large tensile strain.
Covariant formulation of refracted gravity
Authors: Sanna Andrea P. , Matsakos Titos , Diaferio Antonaldo
Published: May 2023

We propose a covariant formulation of refracted gravity (RG), which is a classical theory of gravity based on the introduction of gravitational permittivity – a monotonic function of the local mass density – in the standard Poisson equation. Gravitational permittivity mimics dark matter phenomenology. The covariant formulation of RG (CRG) that we propose belongs to the class of scalar-tensor theories, where the scalar fieldφhas a self-interaction potential 𝒱(φ) = − Ξφ, with Ξ being a normalization constant. We show that the scalar field is twice the gravitational permittivity in the weak-field limit. Far from a spherical source of densityρs(r), the transition between the Newtonian and the RG regime appears below the acceleration scaleaΞ = (2Ξ − 8πGρ/φ)1/2, withρ = ρs + ρbgandρbgbeing an isotropic and homogeneous background. In the limit 2Ξ ≫ 8πGρ/φ, we obtainaΞ ∼ 10−10m s−2. This acceleration is comparable to the accelerationa0originally introduced in MOdified Newtonian Dynamics (MOND). From CRG, we also derived the modified Friedmann equations for an expanding, homogeneous, and isotropic universe. We find that the same scalar fieldφthat mimics dark matter also drives the accelerated expansion of the Universe. From the stress-energy tensor ofφ, we derived the equation of state of a redshift-dependent effective dark energywDE = pDE/ρDE. Current observational constraints onwDEand distance modulus data of type Ia supernovae suggest that Ξ has a comparable value to the cosmological constant Λ in the standard model. Since Ξ also plays the same role of Λ, CRG suggests a natural explanation of the known relationa0 ∼ Λ1/2. CRG thus appears to describe both the dynamics of cosmic structure and the expanding Universe with a single scalar field, and it falls within the family of models that unify the two dark sectors, highlighting a possible deep connection between phenomena currently attributed to dark matter and dark energy separately.
Matching LOFAR sources across radio bands
Authors: Böhme L. , Schwarz D. J. , de Gasperin F. , Röttgering H. J. A. , Williams W. L.
Published: May 2023

Aims. The recent preliminary release of the LOFAR LBA Sky Survey (LoLSS) is the first wide-area, ultra-low frequency observation published from the Low Frequency Array (LOFAR). Our aim is to combine this data set with other surveys at higher frequencies to study the spectral properties of a large sample of radio sources.

Methods. We present a new cross-matching algorithm that takes into account the sizes of the radio sources. We applied it to the LoLSS-PR, LoTSS-DR1, LoTSS-DR2 (all LOFAR), TGSS-ADR1 (GMRT), WENSS (WSRT), and NVSS (VLA) catalogues. We then studied the number of matched counterparts for LoLSS radio sources and their spectral properties.

Results. We found counterparts for 22 607 (89.5%) LoLSS sources. The remaining 2640 sources (10.5%) were identified either as an artefact in the LoLSS survey (3.6%) or flagged due to their closeness to bright sources (6.9%). We found an average spectral index of α = −0.77 ± 0.18 between LoLSS and NVSS. Between LoLSS and LoTSS-DR2, we found α = −0.71 ± 0.31. The average spectral index is independent of the flux density above S54 = 181 mJy. A comparison of the spectral slopes from LoLSS-LoTSS-DR2 with LoTSS-DR2–NVSS indicates that the probed population of radio sources shows evidence of a negative spectral curvature.
Persistent and occasional: Searching for the variable population of the ZTF/4MOST sky using ZTF Data Release 11
Authors: Sánchez-Sáez P. , Arredondo J. , Bayo A. , Arévalo P. , Bauer F. E. , Cabrera-Vives G. , Catelan M. , Coppi P. , Estévez P. A. , Förster F. , Hernández-García L. , Huijse P. , Kurtev R. , Lira P. , Muñoz Arancibia A. M. , Pignata G.
Published: May 2023

Aims.We present a variability-, color-, and morphology-based classifier designed to identify multiple classes of transients and persistently variable and non-variable sources from the Zwicky Transient Facility (ZTF) Data Release 11 (DR11) light curves of extended and point sources. The main motivation to develop this model was to identify active galactic nuclei (AGN) at different redshift ranges to be observed by the 4MOST Chilean AGN/Galaxy Evolution Survey (ChANGES). That being said, it also serves as a more general time-domain astronomy study.

Methods.The model uses nine colors computed from CatWISE and Pan-STARRS1 (PS1), a morphology score from PS1, and 61 single-band variability features computed from the ZTF DR11gandrlight curves. We trained two versions of the model, one for each ZTF band, since ZTF DR11 treats the light curves observed in a particular combination of field, filter, and charge-coupled device (CCD) quadrant independently. We used a hierarchical local classifier per parent node approach-where each node is composed of a balanced random forest model. We adopted a taxonomy with 17 classes: non-variable stars, non-variable galaxies, three transients (SNIa, SN-other, and CV/Nova), five classes of stochastic variables (lowz-AGN, midz-AGN, highz-AGN, Blazar, and YSO), and seven classes of periodic variables (LPV, EA, EB/EW, DSCT, RRL, CEP, and Periodic-other).

Results.The macro-averaged precision, recall, and F1-score are 0.61, 0.75, and 0.62 for theg-band model, and 0.60, 0.74, and 0.61, for ther-band model. When grouping the four AGN classes (lowz-AGN, midz-AGN, highz-AGN, and Blazar) into one single class, its precision-recall, and F1-score are 1.00, 0.95, and 0.97, respectively, for both thegandrbands. This demonstrates the good performance of the model in classifying AGN candidates. We applied the model to all the sources in the ZTF/4MOST overlapping sky (−28 ≤ Dec ≤ 8.5), avoiding ZTF fields that cover the Galactic bulge (|gal_b| ≤ 9 andgal_l≤ 50). This area includes 86 576 577 light curves in thegband and 140 409 824 in therband with 20 or more observations and with an average magnitude in the corresponding band lower than 20.5. Only 0.73% of theg-band light curves and 2.62% of ther-band light curves were classified as stochastic, periodic, or transient with high probability (Pinit≥ 0.9). Even though the metrics obtained for the two models are similar, we find that, in general, more reliable results are obtained when using theg-band model. With it, we identified 384 242 AGN candidates (including low-, mid-, and high-redshift AGN and Blazars), 287 156 of which havePinit≥ 0.9.
Stellar pulsations interfering with the transit light curve: Configurations with false positive misalignment
Authors: Bókon A. , Kálmán Sz. , Bíró I. B. , Szabó M. Gy.
Published: May 2023

Aims. Asymmetric features in exoplanet transit light curves are often interpreted as an effect of gravity darkening, especially if there is spectroscopic evidence of a spin-orbit misalignment. Since other processes can also lead to light-curve asymmetries, this may lead to inaccurate gravity darkening parameters. Here, we investigate the case of non-radial pulsations as possible sources of asymmetry and likely source of misinterpreted parameters through simulations.

Methods. We obtained a series of simulated transit light curves of a hypothetical exoplanet-star system constructed to study the phenomenon: a host star with no gravity darkening exhibiting small amplitude pulsations and a typical hot Jupiter in a circular, edge-on orbit. Multiple scenarios of single- or multi-periodic, radial-, or non-radial pulsations of various amplitudes have been considered, and a proper account of the obscuring effect of transits on all the surface intensity components was carried out. The magnitude of amplitude and phase modulations of non-radial pulsations during transits was also also investigated. We then fit both a non-gravity-darkened and a gravity-darkened free spin-orbit axis model on the data. The Akaike and Bayesian information criteria were used for an objective selection of the most plausible model. We then explored the dependence of the parameter deviations on the pulsation properties to identify the specific configurations that may lead to falsely misaligned solutions.

Results. The modulation of amplitudes of non-radial pulsations during transits have extremely low levels, so that the non-radial nature of pulsations can be safely ignored. Low-amplitude pulsations generally do not affect the determination of the system parameters beyond their noise properties. However, frequencies close to multiples of the orbital frequency (n * forb) are found to cause distortions, leading to solutions that involve a side tilted stellar rotational axis; therefore, it is preferable to clean them beforehand for the sake of a improved accuracy. Additionally, in cases with higher amplitude pulsations, a preprocessing and cleaning of the pulsations before the analysis is recommended.
New thermosphere neutral mass density and crosswind datasets from CHAMP, GRACE, and GRACE-FO
Authors: Siemes Christian , Borries Claudia , Bruinsma Sean , Fernandez-Gomez Isabel , Hładczuk Natalia , den IJssel Josevan , Kodikara Timothy , Vielberg Kristin , Visser Pieter
Published: May 2023

We present new neutral mass density and crosswind observations for the CHAMP, GRACE, and GRACE-FO missions, filling the last gaps in our database of accelerometer-derived thermosphere observations. For consistency, we processed the data over the entire lifetime of these missions, noting that the results for GRACE in 2011–2017 and GRACE-FO are entirely new. All accelerometer data are newly calibrated. We modeled the temperature-induced bias variations for the GRACE accelerometer data to counter the detrimental effects of the accelerometer thermal control deactivation in April 2011. Further, we developed a new radiation pressure model, which uses ray tracing to account for shadowing and multiple reflections and calculates the satellite’s thermal emissions based on the illumination history. The advances in calibration and radiation pressure modeling are essential when the radiation pressure acceleration is significant compared to the aerodynamic one above 450 km  altitude during low solar activity, where the GRACE and GRACE-FO satellites spent a considerable fraction of their mission lifetime. The mean of the new density observations changes only marginally, but their standard deviation shows a substantial reduction compared to thermosphere models, up to 15% for GRACE in 2009. The mean and standard deviation of the new GRACE-FO density observations are in good agreement with the GRACE observations. The GRACE and CHAMP crosswind observations agree well with the physics-based TIE-GCM winds, particularly the polar wind patterns. The mean observed crosswind is a few tens of m·s−1larger than the model one, which we attribute primarily to the crosswind errors being positive by the definition of the retrieval algorithm. The correlation between observed and model crosswind is about 60%, except for GRACE in 2004–2011 when the signal was too small to retrieve crosswinds reliably.
Artificial intelligence in radiology – beyond the black box
Authors: Gallée Luisa , Kniesel Hannah , Ropinski Timo , Götz Michael
Published: May 2023

Background Artificial intelligence is playing an increasingly important role in radiology. However, more and more often it is no longer possible to reconstruct decisions, especially in the case of new and powerful methods from the field of deep learning. The resulting models fulfill their function without the users being able to understand the internal processes and are used as so-called black boxes. Especially in sensitive areas such as medicine, the explainability of decisions is of paramount importance in order to verify their correctness and to be able to evaluate alternatives. For this reason, there is active research going on to elucidate these black boxes.

Method This review paper presents different approaches for explainable artificial intelligence with their advantages and disadvantages. Examples are used to illustrate the introduced methods. This study is intended to enable the reader to better assess the limitations of the corresponding explanations when meeting them in practice and strengthen the integration of such solutions in new research projects.

Results and Conclusion Besides methods to analyze black-box models for explainability, interpretable models offer an interesting alternative. Here, explainability is part of the process and the learned model knowledge can be verified with expert knowledge.

Key Points: 

Citation Format
Recent Advances in the Synthesis of 5-(Hetero)aryl Uracil Derivatives
Authors: Cheng Liang , Wang Zhao-Li , Liu An-Di , Liu Li
Published: May 2023

C5-Aryl/heteroaryl uracil-based compounds have attracted continuous interest because of their wide biological potential. In this review, we outline the primary synthetic methods used to prepare designated uracils, various combinations of which have been used to synthesize target compounds with potential biological activities. The significance of each approach and its limitations are also summarized.

1 Introduction

2 Coupling of Prefunctionalized Uracils with (Hetero)aryl Reagents

2.1 Negishi Coupling

2.2 Suzuki–Miyaura Coupling

2.3 Stille Coupling

3 Coupling of Functionalized Uracils with Nonactivated Aromatic (Hetero)cycles

3.1 Photochemically Induced Coupling

3.2 Palladium-Catalyzed Coupling

4 Coupling of Nonactivated Uracil/Uridine with Functionalized Aromatic (Hetero)cycles

4.1 Electrochemical Reduction

4.2 Transition-Metal-Catalyzed Coupling

4.3 Light-Promoted Coupling of Uracils with Diazonium Salts

5 Direct Coupling of Nonactivated Uracils with Nonactivated Aromatic (Hetero)cycles

6 Summary and Prospects
Asymmetric Total Syntheses of Macroline-Type Alkaloids Alstomicine and Alstofolinine A
Authors: Chen Wen , Zhang Hongbin , Wei Kai , Hu Wen , Sun Yucui , Zhu Tuo
Published: May 2023

Macroline-type monoterpenoid indole alkaloids represent a fascinating class of natural products with polycyclic structures, diverse biological and pharmacological activities. Herein the asymmetric total syntheses of two of this type alkaloids, (–)-Alstomicine and (–)-Alstofolinine A are reported. Notably, these two alkaloids are divergently synthesized from a common indole-fused azabicyclo[3.3.1]nonane intermediate, which was easily obtained via a Mannich-type cyclization. An SmI2-mediated Reformatsky reaction and a Pd-catalyzed carbonylative lactonization are employed to construct the lactone moieties presented in Alstomicine and Alstofolinine A, respectively.
Invisible among the vulnerable: a nuanced perspective of energy poverty at the intersection of gender and disability in South Africa
Authors: Okyere Michael Adu , Lin Boqiang
Published: May 2023

This study addresses a crucial gap in the existing literature by exploring the intricate relationship between gender, disability, and energy poverty. While prior research has shown that females and persons with disabilities are more vulnerable to energy poverty, our study adopts an intersectionality framework to investigate how these identities interact with other variables, including life dissatisfaction, food insecurity, and energy subsidy, to shape the experience of energy deprivation. Using a series of robust techniques, our analysis of the General Household Survey in South Africa reveals several noteworthy findings. First, while females are less likely to be energy poor, the intersection between females and disability significantly amplifies their risk of energy poverty by 2.6%. Our mediation analysis further elucidates that life dissatisfaction and food insecurity serve as critical mechanisms through which this intersection exacerbates energy poverty. Importantly, we also find that the impact of energy subsidy is most effective when targeted toward females with disabilities, highlighting the need for tailored interventions. We call for policymakers and stakeholders to prioritize targeted energy subsidy schemes for persons with disabilities and females, recognizing the critical role such policies can play in mitigating energy poverty and promoting equity.
The national security law for Hong Kong: a corpus-driven comparative study of media representations between China’s and Anglo-American English-language press
Authors: Hou Zhide , Peng Qianni
Published: May 2023

The study conducts a comparative phraseological analysis of media representations associated with the National Security Law for Hong Kong between China’s and Anglo-American English-language press. Based on a corpus-driven methodology, four framing functions, i.e., politics and law, protests and crime, action and future, and evaluation are identified to suggest how the legislation is addressed and understood in different press. The findings demonstrate that the Chinese press prefers to solely highlight the law’s potential benefits and its favorable results, whereas the Anglo-American press is inclined to construct the law as a weapon deployed by China to threaten Hong Kong’s legal system and undermine its democratic autonomy. The study discusses the newly politicalized Hong Kong in different socio-political practices and geopolitical tensions between China and the West.
Does government support affect private partners’ profitability in public–private partnerships? Evidence from China
Authors: Xu Han
Published: May 2023

Infrastructures based on the idea of public–private partnership (PPP) contributes to promoting infrastructure investments, improving public services, and satisfying social demands worldwide over the last thirty years. Public sector support is a crucial factor in attracting the private sector. However, little is known about the effect of public sector support on investors’ profitability. Utilizing a conceptual framework and empirical analysis, in this paper, we explore the dual impact of government support on PPP firm profitability. Our model shows that while compliant government support can theoretically enhance a PPP firm’s profitability, some supportive behavior may harm the firm’s profitability. Employing unique comprehensive project-level and firm-level data on 555 Chinese A-share listed companies from 2010 to 2019 and new variables to measure government support, we find that while inclusion in the national PPP platform can enhance firm profitability by 8.2%, increased shareholding reduces firm profitability significantly by −23.3%. Our results imply that the government should reasonably support the private sector in PPP projects. Our study extends the literature on the role of government support in PPP projects.
How does online streaming reform e-commerce? An empirical assessment of immersive experience and social interaction in China
Authors: Shiu Jerry Yuwen , Liao Shi Ting , Tzeng Shian-Yang
Published: May 2023

The present study examined why live-stream commerce is superior to traditional e-commerce since its retail sales have been booming in China and the communication style with live broadcast technology is entirely different. An integrated model was employed to predict the drivers or restraints of this new business model to substantiate the existence of a lacuna in understanding individual and situational influences. The research described a study that used a combination of information processing theory and flow theory within a Stimulus-Organism-Response (S-O-R) framework to investigate how individual factors and situational factors influence the experience of flow. An integrated model was proposed that stimuli such as individual (i.e., perceived interactivity) and situational influences (i.e., dynamic characteristics and atmosphere clues) can elicit the intrinsic states of organisms (i.e., immersive experience and social interaction), which then result in a response (i.e., online purchase intention). Some shoppers with live-streaming experiences in China were invited to participate in online surveys in 2020. The structural equation modeling results (n = 408) show that atmosphere clues and perceived interactivity of streaming attributes can contribute to both immersive experience and social interaction, predicting consumers’ intention to transact in the new e-commerce. However, the current dynamic/situational infrastructures can only improve the immersive experience but do not assure effective social interaction, leading to the need for continuous tasks in digital development and the directions for future research.
Community well-being dimensions in Gunung Mulu National Park, Sarawak, Malaysian Borneo
Authors: Ibrahim Mohamad Syahrul Nizam , Johari Shazali , Adam Assim Mohamad Ibrani Shahrimin , Mohammad Afandi Syamsul Herman , Khan Waseem Razzaq , Hassan Suziana
Published: May 2023

The local communities living around national parks or areas like World Heritage Site (WHS) are crucial stakeholders to such settings. Their well-being needs to be unraveled so that the holistic management of the national park is in good condition to stabilize its status as WHS through the support and empowerment of the community. Numerous studies have been conducted on the biodiversity and geology of Gunung Mulu National Park (GMNP), but the community psychology aspect that is the foundation of conservation efforts has not been addressed. Therefore, this study aims to examine the community well-being dimensions in terms of environment, economics, social aspects as well as authority intervention based on the perspective of the local community and professionals with an emphasis on the current issues in GMNP. Quantitative and qualitative approaches were used in this study through a questionnaire to 99 local communities, and individual interviews that were conducted in GMNP and four nearby villages. Data were analyzed descriptively with four themes: environment; economics; social; and authority intervention. The findings showed that locals were satisfied in residing area in terms of environmental conditions. However, it does not reflect the actual situation, i.e., river water cloudiness, wildlife threat, degradation of wetlands, and solid waste issues are still happening. The constraints of the COVID-19 pandemic portrayed that they were very dissatisfied with their monthly income, which is very low compared to before. In terms of social, the services and facilities, especially treated water and electricity need improvement. It also noted that authority intervention especially related to road proposal, financial and skills assistance, and community conflicts could influence locals’ support for the planning and policies implemented in the national parks or WHS areas. This study suggests that relevant stakeholders should emphasize bottom-up approaches by considering aspects of community well-being that stem from multiple dimensions in order to achieve holistic national park management.
Pullback exponential attractors for second-order lattice system with nonstandard growth condition
Authors: Zhang Jiangwei , Liu Zhiming , Huang Jianhua
Published: May 2023

In this paper, we study the existence of pullback attractors and pullback exponential attractors for lattice dynamical system in time-dependent sequence space. First, we introduce a new sequence space with time-dependent variable exponents. Second, two abstract criteria (or sufficient conditions) about the existence of pullback attractors and pullback exponential attractors are established for infinite dimensional lattice dynamical systems on time-dependent spaces of infinite sequences. Finally, for making full use of the above-mentioned abstract criteria, we consider a second order lattice system with nonstandard growth nonlinearity, and then the existence of bi-space pullback attractors and pullback exponential attractors on a time-dependent Musielak–Orlicz space is obtained. In particular, we point out that these criteria and analytical skills can be utilized to deal with other lattice systems satisfying nonstandard growth conditions.
Crystallinity and phase separation induced morphological modulation for efficient ternary all-polymer solar cells
Authors: Sha Mengzhen , Zhu Bili , Wang Qian , Deng Ping , Liao Xunfan , Yin Hang , Hao Xiaotao
Published: May 2023

All-polymer solar cells (all-PSCs) have attracted enormous attention and achieved significant progress in recent years due to their long-term stability and excellent film stretchability. However, the problem of morphology control in bulk-heterojunction (BHJ) films due to highly entangled polymeric chains hinders the further improvement of device performance. In this work, we obtained fine-tuned photoactive layer morphology through reconstructed microstructure induced by steric effects to realize an improved device performance in ternary all-PSCs. The large tetrahexylphenyl substituents on the backbone of naphthalene diimide–indacenodithienothiophene based copolymer acceptor BL-102 bring forth the steric-hindrance effect and influence intermolecular interactions. Therefore, the copolymer BL-102 delivers the property of suppressed self-aggregation, causing reconstructed crystalline features and morphology in blending films. The ternary devices tended to reduce the excessive phase separation by suppressing the aggregation of original polymers but to promote intermixing behaviors. Therefore, the optimal BHJ film manifested a well-formed bi-continuous interpenetrating nanoscale network with a larger π–π stacking coherence length and ordered face-on molecular orientation. Hence, a faster electron transfer (ET) and hole transfer (HT) process combined with balanced charge carrier mobilities can be achieved to enhance the overall device performance. This work provides an effective method to regulate the photoactive layer morphology of all-PSCs through structurally steric hindrance effects and demonstrate the significance of ternary-blending strategy induced nanoscale morphology modulation for fabricating highly efficient all-PSCs.
Rare-metal-free Zn–air batteries with ultrahigh voltage and high power density achieved by iron azaphthalocyanine unimolecular layer (AZUL) electrocatalysts and acid/alkaline tandem aqueous electrolyte cells
Authors: Ishibashi Kosuke , Ito Koju , Yabu Hiroshi
Published: May 2023

Zn–air batteries have only been used in limited applications, such as hearing aid batteries, due to their low power density and standard voltage of around 1.4 V. Therefore, to use Zn–air batteries as a drive power source in cutting-edge devices such as drones, it is essential to improve the drive voltage and output power density. Here, we propose Zn–air batteries with a high potential (∼2.25 V) and high power density (∼318 mW/cm2) by using the newly designed iron azaphthalocyanine unimolecular layer (AZUL) electrocatalyst and a tandem Zn–air battery cell. The AZUL electrocatalyst in this new type of cell had a high electrochemical stability and high oxygen reduction reaction performance in the ultralow pH region, in which Pt and other metallic and inorganic electrocatalysts cannot be used. Furthermore, the tandem-electrolyte cells had a cell voltage of over 1.0 V at a high discharge current density of 200 mA/cm2, and the output power density was 1139 mWh/g(Zn) at 100 mA/cm2 discharge.