bluuebunny/crossref_metadata_2025 huggingface dataset:
Synergistic mechanism between the endoplasmic reticulum and mitochondria and their crosstalk with other organelles
Authors: Zhang Yaozhi , Wu Yang , Zhang Minjie , Li Zixian , Liu Bin , Liu Huafeng , Hao Junfeng , Li Xiaoyu
Published: February 2023

Organelles are functional areas where eukaryotic cells perform processes necessary for life. Each organelle performs specific functions; however, highly coordinated crosstalk occurs between them. Disorder of organelle networks often occur in various diseases. The endoplasmic reticulum (ER) and mitochondria are crucial organelles in eukaryotic cells as they are the material synthesis and oxidative metabolism centers, respectively. Homeostasis and orchestrated interactions are essential for maintaining the normal activities of cells. However, the mode and mechanism of organelle crosstalk is still a research challenge. Furthermore, the intricate association between organelle dyshomeostasis and the progression of many human diseases remains unclear. This paper systematically summarized the latest research advances in the synergistic mechanism between the endoplasmic reticulum and mitochondria and their crosstalk with other organelles based on recent literature. It also highlights the application potential of organelle homeostasis maintenance as a preventative and treatment strategy for diseases.
Benthic biota of Chilean fjords and channels in 25 years of cruises of the National Oceanographic Committee
Authors: Aldea Cristian , Novoa Leslie , Acuña María Paz , Acevedo-Romo Ignacia , Bravo Francisco
Published: February 2023

The CIMAR program (Marine Research Cruises to Remote Areas) run by the Chilean Navy through the National Oceanographic Committee has been developed since 1995, focused on Chilean fjord and channel zones (~41–56°S; “CIMAR-Fjords”) and Chilean remote islands (“CIMAR-Islands”). Samples and data was collected on biotic and abiotic variables on all these cruises, both from the water column and benthos. Our work standardizes, compiles, and summarizes the published information on benthic organisms for twenty-one CIMAR-Fjords cruises developed in the first 25 years of the program, plus the Southern Ice Fields Cruise 1995 (precursor of the CIMAR program), which includes the distribution, abundance and geographic location of cruises sampling stations. The data set includes 8,854 records from 880 different localities, corresponding to 1,225 species from 24 different phyla (four kingdoms) and more than 150,000 individuals. Only two cruises did not record any benthic sampling. The fjords and channels of Chilean Patagonia have high biodiversity, so we hope that our data set will serve as a baseline for ecological studies and ecosystem conservation.
Genetic population structures of common scavenging species near hydrothermal vents in the Okinawa Trough
Authors: Kise Hiroki , Iguchi Akira , Ikegami Takuji , Onishi Yosuke , Goto Koichi , Tanaka Yuichiro , Washburn Travis W. , Nishijima Miyuki , Kunishima Taiga , Okamoto Nobuyuki , Suzuki Atsushi
Published: February 2023

Deep-sea mining of hydrothermal deposits off the coast of Japan is currently under consideration, and environmental baseline studies of the area are required to understand possible impacts. The aim of this study is to clarify population structures of dominant benthic megafaunal species near hydrothermal vent fields in the Okinawa Trough, using a population genetics approach. We examined dominant deep-sea scavenging species including eels, several amphipods, and a decapod and performed population genetic analyses based on the mitochondrial cytochrome c oxidase subunit I region. Several sites were sampled within Okinawa Trough to examine intra-population diversity while two other locations 1400–2400 km away were chosen for inter-population comparisons. For synaphobranchid eels Simenchelys parasitica and Synaphobranchus kaupii, our results showed significant intra-population diversity but no inter-population genetic differentiation, suggesting strong genetic connectivity and/or large population sizes. In addition, single nucleotide polymorphism analysis also confirmed strong genetic connectivity for Simenchelys parasitica. Among scavenging amphipods, we detected seven putative species using molecular phylogenetic analysis. We evaluated population structures of the most abundant species of amphipods and a decapod species (Nematocarcinus lanceopes). Our results provide basic information on the genetic population structures of benthic megafaunal species near hydrothermal vent fields, which can be used to select candidate species for future connectivity analysis with high-resolution genetic markers and aid understanding of the potential population impacts of environmental disturbances.
Experimental and clinical data analysis for identification of COVID-19 resistant ACE2 mutations
Authors: Raghav Pawan Kumar , Raghav Aditya , Lathwal Anjali , Saxena Archit , Mann Zoya , Sengar Manisha , Rajalingam Raja
Published: February 2023

The high magnitude zoonotic event has caused by Severe Acute Respitarory Syndrome CoronaVirus-2 (SARS-CoV-2) is Coronavirus Disease-2019 (COVID-19) epidemics. This disease has high rate of spreading than mortality in humans. The human receptor, Angiotensin-Converting Enzyme 2 (ACE2), is the leading target site for viral Spike-protein (S-protein) that function as binding ligands and are responsible for their entry in humans. The patients infected with COVID-19 with comorbidities, particularly cancer patients, have a severe effect or high mortality rate because of the suppressed immune system. Nevertheless, there might be a chance wherein cancer patients cannot be infected with SARS-CoV-2 because of mutations in the ACE2, which may be resistant to the spillover between species. This study aimed to determine the mutations in the sequence of the human ACE2 protein and its dissociation with SARS-CoV-2 that might be rejecting viral transmission. The in silico approaches were performed to identify the impact of SARS-CoV-2 S-protein with ACE2 mutations, validated experimentally, occurred in the patient, and reported in cell lines. The identified changes significantly affect SARS-CoV-2 S-protein interaction with ACE2, demonstrating the reduction in the binding affinity compared to SARS-CoV. The data presented in this study suggest ACE2 mutants have a higher and lower affinity with SARS-Cov-2 S-protein to the wild-type human ACE2 receptor. This study would likely be used to report SARS-CoV-2 resistant ACE2 mutations and can be used to design active peptide development to inactivate the viral spread of SARS-CoV-2 in humans.
Evaluation of RT-PCR assays for detection of SARS-CoV-2 variants of concern
Authors: Dip Sourav Dutta , Sarkar Shovon Lal , Setu Md. Ali Ahasan , Das Prosanto Kumar , Pramanik Md. Hasan Ali , Alam A. S. M. Rubayet Ul , Al-Emran Hassan M. , Hossain M. Anwar , Jahid Iqbal Kabir
Published: February 2023

Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2) pandemic has been considered with great importance on correct screening procedure. The detection efficiency of recent variants of concern were observed by comparing 5 commercial RT-PCR kits and a SYBR-green method developed and validated in our laboratory. The RNA was extracted from nasopharyngeal samples from suspected COVID-19 patients and RT-PCR assay was performed according to the instruction of the respective manufacturers. The specificity and sensitivity of Maccura kit was 81.8% and 82.5%, A*Star kit was 100% and 75.4%, Da An Gene kit was 100% and 68.4%, Sansure kit was 54.5% and 91.2% and TaqPath kit was 100% and 70.2% respectively. Our in house SYBR-Green method showed a consistent detection result with 90.9% specificity and 91.2% sensitivity. We also found that detection kits targeting more genes showed better accuracy which facilitates less false positive results (< 20%). Our study found a significant difference (p < 0.005) in Ct value reported for common target genes shared by the RT-PCR kits in relation with different variants of COVID-19 infection. Recent variants of concerns contain more than 30 mutations in the spike proteins including 2 deletion and a unique insertion mutation by which makes detection of these variants difficult and these facilitates the variants to escape from being detected.
Interfacial interaction driven enhancement in the colossal magnetoresistance property of ultra-thin heterostructure of Pr0.6Sr0.4MnO3 in proximity with Pr0.5Ca0.5MnO3
Authors: Gayathri V. , Amaladass E. P. , Sathyanarayana A. T. , Geetha Kumary T. , Pandian R. , Gupta Pooja , Rai Sanjay K. , Mani Awadhesh
Published: February 2023

The ultra-thin heterostructure of Pr0.6Sr0.4MnO3(15 nm)/Pr0.5Ca0.5MnO3(15 nm)/SrTiO3 fabricated using pulsed laser deposition technique exhibits the phase-segregated nature wherein the ferromagnetism of Pr0.6Sr0.4MnO3, and the antiferromagnetic state of Pr0.5Ca0.5MnO3 coexist in proximity. The observation of two exciting phenomena in the grown ultra-thin heterostructure, namely, the kinetic arrest and training effect, confirms its phase-segregated nature. The melting of the antiferromagnetic state in Pr0.5Ca0.5MnO3 into a ferromagnetic state due to the interfacial interaction arising from the magnetic proximity of the ferromagnetic clusters of Pr0.6Sr0.4MnO3 have been observed. A metal–insulator transition (TMIT) found at 215 K, close to its Curie temperature (TCurie) observed at 230 K, reveals a strong correlation between the electrical transport and the magnetization of the ultra-thin heterostructure. The electrical conduction in the high-temperature regime is explained in terms of the adiabatic small polaron hopping model. While the resistance in the metallic regime for temperatures above 100 K is contributed by the inelastic scattering due to the two-magnons, in the metallic regime below 100 K, the one-magnon inelastic scattering contribution is prevalent. An enhanced colossal magnetoresistance property near room temperature is obtained in the ultra-thin heterostructure arising from the proximity-driven interfacial interaction, making it a suitable candidate for technological applications near room temperature.
Development of an artificial intelligence based model for predicting the euploidy of blastocysts in PGT-A treatments
Authors: Yuan Zhenya , Yuan Mu , Song Xuemei , Huang Xiaojie , Yan Weiqiao
Published: February 2023

The euploidy of embryos is unpredictable before transfer in in vitro fertilisation (IVF) treatments without pre-implantation genetic testing (PGT). Previous studies have suggested that morphokinetic characteristics using an artificial intelligence (AI)-based model in the time-lapse monitoring (TLM) system were correlated with the outcomes of frozen embryo transfer (FET), but the predictive effectiveness of the model for euploidy remains to be perfected. In this study, we combined morphokinetic characteristics, morphological characteristics of blastocysts, and clinical parameters of patients to build a model to predict the euploidy of blastocysts and live births in PGT for aneuploidy treatments. The model was effective in predicting euploidy (AUC = 0.879) but was ineffective in predicting live birth after FET. These results provide a potential method for the selection of embryos for IVF treatments with non-PGT.
Depressive primary care patients’ assessment of received collaborative care
Authors: Lukaschek K. , Beltz C. , Rospleszcz S. , Schillok H. , Falkai P. , Margraf J. , Gensichen J.
Published: February 2023

The “Patient Assessment of Chronic Illness Care” (PACIC) is a tool for evaluating outpatient health service for patients with chronic diseases. Our aim was to analyze the association between PACIC scores of primary care patients with depression and patients’ or patients’ general practitioners’ (GPs) characteristics. In a data set including depressive primary care patients (N = 280) the association of patient characteristics (sex, age, depressive symptom severity, suicidal ideation) with PACIC scores were assessed by linear regression models. The association between GPs’ characteristics (type, location of practice; age, qualification of practitioner) and PACIC scores was assessed by linear mixed models with individual practices as random effects. Patient Health Questionnaire (PHQ-9) scores at 12 months follow up and changes in PHQ-9 scores from baseline to follow up were significantly positive associated with higher PACIC scores (beta = 0.67, 95%-CI [0.02, 1.34]). PACIC scores were not associated with patients’ sex (p = 0.473) or age (p = 0.531). GP’s age was negatively associated with PACIC scores (p = 0.03). In conclusion, in patients with depression, the PACIC is independent from patients’ and GPs’ characteristics. The PACIC may be appropriate to assess patient-perspective on depression services in primary care.
Theoretical and experimental study of the “superelastic collision effects” used to excite high-g shock environment
Authors: Duan Zhengyong , Zeng Qihang , Tang Dayong , Peng Yingchun
Published: February 2023

The excitation technology for high-g-level shock environment experiments is currently a topic of interest, for which velocity amplification by collisions of vertically stacked bodies has been used to develop high-g shock tests with great success. This study investigated the superelastic collision effects generated during high-velocity one-dimensional three-body impacts. Theoretical formulae were derived in brief for an analytical investigation of the collisions. Four experiments were performed with different initial velocities obtained from free-falls from different heights. Velocity gains larger than 5 were obtained for the three-body collisions, and coefficients of restitution larger than 2.5 were observed for the second impact. The experimental results well verified the existence of superelastic collision effects in the one-dimensional three-body impacts.
The AP-1 transcription factor Fosl-2 drives cardiac fibrosis and arrhythmias under immunofibrotic conditions
Authors: Stellato Mara , Dewenter Matthias , Rudnik Michal , Hukara Amela , Özsoy Çagla , Renoux Florian , Pachera Elena , Gantenbein Felix , Seebeck Petra , Uhtjaerv Siim , Osto Elena , Razansky Daniel , Klingel Karin , Henes Joerg , Distler Oliver , Błyszczuk Przemysław , Kania Gabriela
Published: February 2023

Fibrotic changes in the myocardium and cardiac arrhythmias represent fatal complications in systemic sclerosis (SSc), however the underlying mechanisms remain elusive. Mice overexpressing transcription factor Fosl-2 (Fosl-2tg) represent animal model of SSc. Fosl-2tg mice showed interstitial cardiac fibrosis, disorganized connexin-43/40 in intercalated discs and deregulated expression of genes controlling conduction system, and developed higher heart rate (HR), prolonged QT intervals, arrhythmias with prevalence of premature ventricular contractions, ventricular tachycardias, II-degree atrio-ventricular blocks and reduced HR variability. Following stimulation with isoproterenol Fosl-2tg mice showed impaired HR response. In contrast to Fosl-2tg, immunodeficient Rag2−/−Fosl-2tg mice were protected from enhanced myocardial fibrosis and ECG abnormalities. Transcriptomics analysis demonstrated that Fosl-2-overexpression was responsible for profibrotic signature of cardiac fibroblasts, whereas inflammatory component in Fosl-2tg mice activated their fibrotic and arrhythmogenic phenotype. In human cardiac fibroblasts FOSL-2-overexpression enhanced myofibroblast signature under proinflammatory or profibrotic stimuli. These results demonstrate that under immunofibrotic conditions transcription factor Fosl-2 exaggerates myocardial fibrosis, arrhythmias and aberrant response to stress.
De novo biosynthesis of berberine and halogenated benzylisoquinoline alkaloids in Saccharomyces cerevisiae
Authors: Han Jianing , Li Sijin
Published: February 2023

Berberine is an extensively used pharmaceutical benzylisoquinoline alkaloid (BIA) derived from plants. Microbial manufacturing has emerged as a promising approach to source valuable BIAs. Here, we demonstrated the complete biosynthesis of berberine in Saccharomyces cerevisiae by engineering 19 genes including 12 heterologous genes from plants and bacteria. Overexpressing bottleneck enzymes, fermentation scale-up, and heating treatment after fermentation increased berberine titer by 643-fold to 1.08 mg L-1. This pathway also showed high efficiency to incorporate halogenated tyrosine for the synthesis of unnatural BIA derivatives that have higher therapeutical potentials. We firstly demonstrate the in vivo biosynthesis of 11-fluoro-tetrahydrocolumbamine via nine enzymatic reactions. The efficiency and promiscuity of our pathway also allow for the simultaneous incorporation of two fluorine-substituted tyrosine derivatives to 8, 3’-di-fluoro-coclaurine. This work highlights the potential of yeast as a versatile microbial biosynthetic platform to strengthen current pharmaceutical supply chain and to advance drug development.
Isothermal nucleic acid amplification technology in HIV detection
Authors: Gulinaizhaer Abudushalamu , Zou Mingyuan , Ma Shuo , Yao Yuming , Fan Xiaobo , Wu Guoqiu
Published: February 2023

Nucleic acid testing for HIV plays an important role in the early diagnosis and monitoring of antiretroviral therapy outcomes in HIV patients and HIV-infected infants.
Resolving omicron sub-variants of SARS CoV-2 coronavirus with MALDI mass spectrometry
Authors: Lanyon Henry E. , Hoyle Joshua S. , Downard Kevin M.
Published: February 2023

High resolution mass spectrometry can distinguish omicron sub-variants through the detection of peptide biomarkers associated with lineage-specific mutations within the surface spike protein.
A fabrication of stable lithium metal anodes using HF scavenging films
Authors: Cho Sungjin , Son Hye Bin , Lee Sangyeop , Park Soojin
Published: February 2023

A stable lithium metal anode is fabricated by an electrodeposition process using a functional lithiophilic thin film polymer that provides numerous fluorine sources on the surface of the electrode and induces uniform lithium electrodeposition.
HTE- and AI-assisted development of DHP-catalyzed decarboxylative selenation
Authors: Yu Zhunzhun , Kong Yaxian , Li Baiqing , Su Shimin , Rao Jianhang , Gao Yadong , Tu Tianyong , Chen Hongming , Liao Kuangbiao
Published: February 2023

1,4-Dihydropyridine (DHP) derivatives play key roles in biology, but are rarely used as catalysts in synthesis.
Directed C8–H allylation of quinoline N-oxides with vinylcyclopropanes via sequential C–H/C–C activation
Authors: Mandal Santu , Karjee Pallab , Saha Sharajit , Punniyamurthy Tharmalingam
Published: February 2023

The Rh(iii)-catalyzed C8-selective allylation of quinoline N-oxides has been achieved with vinylcyclopropanes as the allyl source with an excellent (E)-diastereocontrol at room temperature via sequential C–H and C–C activation.
Selective alkane hydroxylation and alkene epoxidation using H2O2 and Fe(ii) catalysts electrostatically attached to a fluorinated surface
Authors: Fujisaki Hiroto , Okamura Masaya , Hikichi Shiro , Kojima Takahiko
Published: February 2023

Fe(ii) complexes with pentadentate ligands, including N-heterocyclic carbene moieties, were prepared and electrostatically attached onto the perfluorinated surface of a mesoporous aluminosilicate.
A calixarene-based coordination cage as an efficient luminescent sensor for Fe3+, MnO4−, NB and 2,4-DNP in aqueous medium
Authors: Zhang Jiamao , Deng Yue , Wang Shentang , Yang Jun , Hu Shanshan
Published: February 2023

A luminescent coordination cage formulated as {Mg24(TC4A)6(BTC)8(H2O)6} (SWU-2, H4TC4A = p-tert-butylthiacalix[4]arene, H3BTC = 1,3,5-benzenetricarboxylic acid) was successfully synthesized by the assembly of Mg4-TC4A units with BTC ligands.
Tailoring sizes and compositions of heavy pnictogen bismuth thiohalide nanorods and nanowires via heat-up method
Authors: Lee Da Won , Woo Ho Young , Choi Yoonjoo , Chung Hyesun , Paik Taejong
Published: February 2023

The size and composition-controlled synthesis of pnictogen bismuth thiohalide nanocrystals is demonstrated via the injection-free heat-up method.
Singlet fission preserves polarisation correlation of excitons
Authors: de la Perrelle Jessica M. , Tapping Patrick C. , Schrefl Elisabeth , Stuart Alexandra N. , Huang David M. , Kee Tak W.
Published: February 2023

Time-resolved polarisation anisotropy and Monte Carlo simulations show that singlet fission preserves polarisation correlation between photons absorbed and emitted by a material through removing excitons decorrelated by migration.
Significantly increased Raman enhancement enabled by hot-electron-injection-induced synergistic resonances on anisotropic ReS2 films
Authors: Pan Wen , Wu Shuyi , Ma Chunlan , Shan Yun , Liu Lizhe
Published: February 2023

Two-dimensional (2D) rhenium disulphide (ReS2) materials are an excellent platform for surface-enhanced Raman spectroscopy (SERS).
Revisiting photocyclization of the donor–acceptor stenhouse adduct: missing pieces in the mechanistic jigsaw discovered
Authors: Li Yazhen , Zhu Chaoyuan , Gu Fenglong , Liu Fengyi
Published: February 2023

The CASSCF/CASPT2 calculations reveal the dominant channel of DASA photocyclization, i.e., a thermal-then-photo EEZ → EZZ → EZE isomerization.
Adsorption of CO32−/HCO3−on a quartz surface: cluster formation, pH effects, and mechanistic aspects
Authors: Feng Haotian , Li Xiong , Xing Yuhang , Xie Liangchen , Zhen Shuai , Chang Wenqian , Zhang Jianguo
Published: February 2023

The fate of soluble inorganic carbon in a soil carbon pool was affected by soil active minerals mainly though hydrogen bonds and cationic bridges, which was tightly related to pH values, ionic concentration, and accompanied cations.
Surface-driven fast sodium storage enabled by Se-doped honeycomb-like macroporous carbon
Authors: Zhang Minglu , Ning Meng , Xiong Kairong , Duan Zhihua , Yang Xiaoqing , Li Zhenghui
Published: February 2023

Se-doped honeycomb-like macroporous carbon (Se-HMC) is prepared. Se-HMC presents surface-driven ultrafast Na storage. A high capacity of 251 mA h g−1 is achieved under a current density of 5 A g−1 (≈20 C).
Potential rules for stable transition metal hexafluorides with high oxidation states under high pressures
Authors: Ma Shiyin , Zhao Liang , Li Shichang , Gao Tao , Peng Feng
Published: February 2023

Three potential guiding rules to explore the stability and the high oxidation state with +6 in Transition Metal (TM) fluorides have been proposed. A collection of new TMF6 with space group Pnma, showing +6 oxidation state have been predicted.
Ultrafast optical limiting ability of trans-stilbene enhanced and broadened by a donor–π–acceptor structure
Authors: Zhang Danyang , Zhu Hongjuan , Sheng Xiaowei
Published: February 2023

We improve the optical limiting performance of trans-stilbene (TSB) by creating a series of TSB derivatives with an electron donor–π–acceptor structure.
White light and colour-tunable emission from a single component europium-1,8-naphthalimide thin film
Authors: O'Neil Alex T. , Chalard Anaïs , Malmström Jenny , Kitchen Jonathan A.
Published: February 2023

White emissive and colour tunable films of a discrete multi-emissive 1,8-naphthalimide containing Ln3+ complex.
Properties of recombinant extracellular N-terminal domain of human high-affinity copper transporter 1 (hNdCTR1) and its interactions with Cu(ii) and Ag(i) ions
Authors: Orlov Iurii A. , Sankova Tatiana P. , Skvortsov Alexey N. , Klotchenko Sergey A. , Sakhenberg Elena I. , Mekhova Aleksandra A. , Kiseleva Irina V. , Ilyechova Ekaterina Yu. , Puchkova Ludmila V.
Published: February 2023

Recombinant fusion protein GB1-NdCTR1 containing N-terminal domain of human copper transporter CTR1 specifically and reversibly binds copper and silver, bacteria that synthesize the GB1-NdCTR1 become resistant to silver ions.
A combined experimental and theoretical study of RuO2/TiO2heterostructures as a photoelectrocatalyst for hydrogen evolution
Authors: Kaikhosravi Mohammad , Hadadzadeh Hassan , Farrokhpour Hossein , Salimi Abdollah , Mohtasham Hamed , Foelske Annette , Sauer Markus
Published: February 2023

An experimental and theoretical study of RuO2/TiO2 heterostructures as photoelectrocatalysts for hydrogen evolution reaction (HER).
Selective oxidation of biomass-derived carbohydrate monomers
Authors: Teržan Janvit , Sedminek Anja , Lavrič Žan , Grilc Miha , Huš Matej , Likozar Blaž
Published: February 2023

The article discusses the potential production processes for glucaric acid, and the efforts to develop more sustainable oxidation practices for its production, with a focus on the strengths and weaknesses of each method.
The creation of selenium nanoparticles decorated with troxerutin and their ability to adapt to the tumour microenvironment have therapeutic implications for triple-negative breast cancer
Authors: Saranya Thiruvenkataswamy , Kavithaa Krishnamoorthy , Paulpandi Manickam , Ramya Sennimalai , Winster Sureshbabu Harysh , Mani Geetha , Dhayalan Sangeetha , Balachandar Vellingiri , Narayanasamy Arul
Published: February 2023

The unique use of selenium–troxerutin nanoconjugates as an effective management therapy for treating TNBC.
ADDP facilitates C–S bond formation from sulfonyl chlorides with alcohols
Authors: Sun Gang , Liu Xin , Li Jing , Yang Jian-Xin , Xie Jun-Kai , Wen Xiaoan , Sun Hongbin , Xu Qing-Long
Published: February 2023

The formation of C–S bonds using cheap, stable and odorless sulfonyl chlorides and widely sourced and less toxic alcohols with the assistance of ADDP is reported.
Metal-free sulfonylation of quinoxalinones to access 2-sulfonyl-oxylated quinoxalines via oxidative O–S cross coupling
Authors: Shi Shi-Hui , Yao Yi-Fan , He Jiao , Li Hao-Yu , Han Shao-Jie , Zhang Le-Le , Zhao Yu
Published: February 2023

Under metal-free conditions, a convenient and efficient oxidative O–S coupling strategy for the C2-O sulfonylation of quinoxalinones was established.
Electrochemical rhodium catalysed alkyne annulation with pyrazoles through anodic oxidation – a metal oxidant/additive free methodology
Authors: Kathiravan Subban , Anaspure Prasad
Published: February 2023

A rhodium(iii) catalysed electrochemical C–H annulation of alkynes with pyrazole without using metal oxidants/additives is reported.
Skeletal photoinduced rearrangement of diarylethenes: ethene bridge effects
Authors: Zakharov A. V. , Timofeeva S. M. , Yadykov A. V. , Krayushkin M. M. , Shirinian V. Z.
Published: February 2023

The study of the photorearrangement of diarylethene showed that the predominant step is deprotonation after 6π-electrocyclization, which is confirmed by the introduction of an electronegative group into the ethene bridge and the solvent polarity.
Dead-core solutions and critical Thiele modulus for slabs with a distributed catalyst and external mass transfer
Authors: Skrzypacz Piotr , Kabduali Bek , Golman Boris , Andreev Vsevolod
Published: February 2023

Critical Thiele modulus derived, and formation of dead-zones and effectiveness factor analyzed for catalyst slabs with a non-uniform catalyst distribution.
Boundary design regulates the diffusion of active matter in heterogeneous environments
Authors: Modica Kevin J. , Omar Ahmad K. , Takatori Sho C.
Published: February 2023

The transport of self-propelled particles in porous media is sensitive to boundary design; effective temperature corrections to Brownian models tend to overestimate the diffusivity of active swimmers after normalizing by their bulk self-diffusivity.
Near-infrared rhodol dyes bearing salicylaldehyde moieties for ratiometric pH sensing in live cells during mitophagy and under hypoxia conditions
Authors: Dwivedi Sushil K. , Arachchige Dilka Liyana , Vohs Tara , Tang Jiani , Usimaki Kyle , Olowolagba Adenike Mary , Fritz Delaney Raine , Luck Rudy L , Werner Thomas , Liu Haiying
Published: February 2023

We describe a simple but efficient approach to make fluorescent probes A and B based on rhodol dyes incorporated with salicyaldehyde moiety for monitoring pH changes in mitochondria under oxidative stresses and hypoxia conditions, and for tracking mitophagy processes.
Near-infrared Sr7NaGa(PO4)6:Cr3+,Ln3+ (Ln = Nd, Er, and Yb) phosphors with different energy transfer paths: photoluminescence enhancement and versatility
Authors: Zhong Chuansheng , Xu Yonghui , Wu Xiudi , Yin Shuwen , Zhang Xibao , Zhou Liang , You Hongpeng
Published: February 2023

Different energy transfer paths of SNGP:Cr3+,Ln3+ contribute to the versatility of phosphors.
Insights into the rare earth element potential of coal combustion by-products from western Canada
Authors: Bishop Brendan A. , Shivakumar Karthik Ramachandran , Alessi Daniel S. , Robbins Leslie J.
Published: February 2023

Rare earth elements are required for the energy transition and new sources will be needed to meet projected demand. Coal combustion by-products could be a promising, near-term source of rare earth elements.
Perspectives on the mechanical robustness of flexible perovskite solar cells
Authors: Zhang Meihe , Li Zhihao , Gong Zheng , Li Zhen , Zhang Chao
Published: February 2023

This perspective highlights recent advances in improving the mechanical robustness of FPSCs and prospects to clarify the mechanism between the mechanical behavior and the photoelectric performance.
A nanopore counter for highly sensitive evaluation of DNA methylation and its application in in vitro diagnostics
Authors: Wang Jiahai , Chen Lanfang , Gui Cenlin , Zhu Jianji , Zhu Baian , Zhu Zhuobin , Li Yunhui , Chen Daqi
Published: February 2023

A nanopore counter for highly sensitive DNA methylation evaluation was developed by relating the methylation level to the concentration of the generated fixed-length DNA duplex amplicons, which achieved a limit of detection of 0.61 aM.
Promoted electrocatalytic hydrogenation of furfural in a bi-phasic system
Authors: Jiang Mei , Tan Jingwen , Chen Yizhong , Zhang Wenbiao , Chen Peng , Tang Yi , Gao Qingsheng
Published: February 2023

The promoted electrocatalytic hydrogenation of furfural to 2-methylfuran is identified in a water/oil bi-phasic system, in which the quick extraction of products by the oil phase enables a beneficial equilibrium toward hydrodeoxygenation.
Thermally activated bipyridyl-based Mn-MOFs with Lewis acid–base bifunctional sites for highly efficient catalytic cycloaddition of CO2 with epoxides and Knoevenagel condensation reactions
Authors: Xu Zhen , Zhao Ya-Yu , Chen Le , Zhu Cai-Yong , Li Peng , Gao Wei , Li Ji-Yang , Zhang Xiu-Mei
Published: February 2023

A bipyridyl-based Mn2+-organic framework was synthesized. Activated Mn-MOF-1 could serve as an efficient heterogeneous catalyst for the cycloaddition of CO2 with epoxides and Knoevenagel condensation reactions.
A substrate descriptor based approach for the prediction and understanding of the regioselectivity in caged catalyzed hydroformylation
Authors: Linnebank Pim R. , Poole David A. , Kluwer Alexander M. , Reek Joost N. H.
Published: February 2023

To study whether the use of substrate descriptors to rationalize a catalytic outcome may be an effective tool, we investigated both an encapsulated and non-encapsulated rhodium based catalyst in the hydroformylation reaction of 41 terminal alkenes.
Enantioselective conjugate addition of malonates to α,β-unsaturated aldehydes catalysed by 4-oxalocrotonate tautomerase
Authors: Yu Ming-Zhu , Chen Kai-Yue , Zhang Yi-Bin , Zhang Chang-Xuan , Xiang Zheng
Published: February 2023

The asymmetric conjugate addition of diethyl malonates to α,β-unsaturated aldehydes catalysed by 4-oxalocrotonate tautomerase was developed and used in the chemoenzymatic synthesis of (+)-femoxetine.
Correction: CO2 free production of ethylene oxide via liquid phase epoxidation of ethylene using niobium oxide incorporated mesoporous silica material as the catalyst
Authors: Maqbool Muhammad , Akhter Toheed , Faheem Muhammad , Nadeem Sohail , Park Chan Ho
Published: February 2023

Correction for ‘CO2 free production of ethylene oxide via liquid phase epoxidation of ethylene using niobium oxide incorporated mesoporous silica material as the catalyst’ by Muhammad Maqbool et al., RSC Adv., 2023, 13, 1779–1786, https://doi.org/10.1039/D2RA07240H
An electrochemiluminescent sensor based on hydrophilic CsPbBr3/TDPA nanocrystals for sensitive detection of nitrobenzene
Authors: Zhang Wen-Xu , Chen Jing-Shuai , Liu Xing-Pei , Mao Chang-Jie , Jin Bao-Kang
Published: February 2023

The structure diagram and detection mechanism of CsPbBr3/TDPA.
The influence of trinuclear complexes on light-induced hydrogen production
Authors: Roithmeyer Helena , Pehn Richard , Pann Johann , Viertl Wolfgang , Trübenbacher Benedikt , Dutzler Julian , Kopacka Holger , Müller Thomas , Brüggeller Peter
Published: February 2023

New trinuclear water reduction catalysts show turnover numbers for photochemical water splitting of up to 8899, a turnover frequency of 2737 h−1 and an incident photon conversion efficiency of 2.1%, thus outperforming mononuclear analogues.
Marginal and Canonical Babbling in 10 Infants at Risk for Cerebral Palsy
Authors: Long Helen L. , Hustad Katherine C.
Published: February 2023

Purpose:

This study is a preliminary quantification and characterization of the development of marginal and canonical syllable patterns in 10 infants at risk for cerebral palsy (CP).

Method:

We calculated marginal and canonical babbling ratios from parent–infant laboratory recordings of 10 infants at two time points, approximately 13 and 16 months of age. The frequency and diversity of labial, coronal, and velar types of marginal and canonical syllables were also examined. Differences across three outcome groups were compared: infants later diagnosed with CP (
n
= 3, CP group), risk of CP due to ongoing gross motor delays (
n
= 4, risk group), and current typically developing status with resolved gross motor delays (
n
= 3, TDx group). Performance on the Mullen Scales was included for perspective on cognitive development.

Results:

Higher marginal syllable ratios were observed in the CP and risk groups than the TDx group. An increasing canonical syllable ratio across the two ages was consistently observed in the TDx group. The TDx group produced a greater frequency and diversity of canonical syllable types than the risk and CP groups, and of marginal syllable types than the CP group.

Conclusions:

This study offers preliminary support for the possibility that speech motor impairment in infants with CP have the potential to be observed and quantified early in vocal development prior to the expected onset of first words. Prolonged rates of marginal syllable forms may be suggestive of speech motor impairment; however, additional longitudinal outcome data over a longer time course and a larger sample of infants are needed to provide further support for this possibility.
The Gaia-ESO Survey: Chemical evolution of Mg and Al in the Milky Way with machine learning
Authors: Ambrosch M. , Guiglion G. , Mikolaitis Š. , Chiappini C. , Tautvaišienė G. , Nepal S. , Gilmore G. , Randich S. , Bensby T. , Bayo A. , Bergemann M. , Morbidelli L. , Pancino E. , Sacco G. G. , Smiljanic R. , Zaggia S. , Jofré P. , Jiménez-Esteban F. M.
Published: February 2023

Context. To take full advantage of upcoming large-scale spectroscopic surveys, it will be necessary to parameterize millions of stellar spectra in an efficient way. Machine learning methods, especially convolutional neural networks (CNNs), will be among the main tools geared at achieving this task.

Aims. We aim to prepare the groundwork for machine learning techniques for the next generation of spectroscopic surveys, such as 4MOST and WEAVE. Our goal is to show that CNNs can predict accurate stellar labels from relevant spectral features in a physically meaningful way. The predicted labels can be used to investigate properties of the Milky Way galaxy.

Methods. We built a neural network and trained it on GIRAFFE spectra with their associated stellar labels from the sixth internal Gaia-ESO data release. Our network architecture contains several convolutional layers that allow the network to identify absorption features in the input spectra. The internal uncertainty was estimated from multiple network models. We used the t-distributed stochastic neighbor embedding tool to remove bad spectra from our training sample.

Results. Our neural network is able to predict the atmospheric parameters Teff and log(g) as well as the chemical abundances [Mg/Fe], [Al/Fe], and [Fe/H] for 36 904 stellar spectra. The training precision is 37 K for Teff, 0.06 dex for log(g), 0.05 dex for [Mg/Fe], 0.08 dex for [Al/Fe], and 0.04 dex for [Fe/H]. Network gradients reveal that the network is inferring the labels in a physically meaningful way from spectral features. We validated our methodology using benchmark stars and recovered the properties of different stellar populations in the Milky Way galaxy.

Conclusions. Such a study provides very good insights into the application of machine learning for the analysis of large-scale spectroscopic surveys, such as WEAVE and 4MOST Milky Way disk and bulge low- and high-resolution (4MIDABLE-LR and -HR). The community will have to put substantial efforts into building proactive training sets for machine learning methods to minimize any possible systematics.
Flows around galaxies
Authors: Galárraga-Espinosa Daniela , Garaldi Enrico , Kauffmann Guinevere
Published: February 2023

With the aim of bringing substantial insight to the fundamental question of how galaxies acquire their material for star formation, we present the first comprehensive characterisation of the galaxy connectivity (i.e. the number of small-scale filamentary streams connected to a galaxy) in relation to the cosmic environment, and a statistical exploration of the impact of connectivity on the star formation rate (SFR) at z = 2. We detected kiloparsec-scale filaments directly connected to galaxies by applying the DisPerSE filament finder to the dark matter density around 2942 central galaxies (M* > 108 M⊙/h) of the TNG50-1 simulation. Our results demonstrate that galaxy connectivity spans a broad range (from 0 to 9), with more than half of the galaxies connected to two or three streams. We examined a variety of factors that might influence the connectivity and found that it increases with mass, decreases with local density for low-mass galaxies, and does not depend on local environment, estimated by the Delaunay tessellation, for high-mass galaxies. Beyond mass and local density, we further classified galaxies according to their location in different cosmic web environments, and we highlight the influence of the large-scale structure on the number of connected streams. Our results reflect the different strengths of the cosmic tides, which can prevent the formation of coherent streams feeding the galaxies or even disconnect the galaxy from its local web. Finally, we show that at fixed local density, the SFR of low-mass galaxies is up to 5.9σ higher as a result of connectivity. This SFR boost is even higher (6.3σ) for galaxies that are embedded in cosmic filaments, where the available matter reservoirs are large. A milder impact is found for high-mass galaxies, which indicates different relative efficiencies of matter inflow via small-scale streams in galaxies of different masses.
Multiplicity of northern bright O-type stars with optical long baseline interferometry
Authors: Lanthermann C. , Le Bouquin J.-B. , Sana H. , Mérand A. , Monnier J. D. , Perraut K. , Frost A. J. , Mahy L. , Gosset E. , De Becker M. , Kraus S. , Anugu N. , Davies C. L. , Ennis J. , Gardner T. , Labdon A. , Setterholm B. , ten Brummelaar T. , Schaefer G. H.
Published: February 2023

Context. The study of the multiplicity of massive stars gives hints on their formation processes and their evolutionary paths, which are still not fully understood. Large separation binaries (>50 milliseconds of arc, mas) can be probed by adaptive-optics-assisted direct imaging and sparse aperture masking, while close binaries can be resolved by photometry and spectroscopy. However, optical long baseline interferometry is mandatory to establish the multiplicity of Galactic massive stars at the separation gap between 1 and 50 mas.

Aims. In this paper, we aim to demonstrate the capability of the new interferometric instrument MIRC-X, located at the CHARA Array, to study the multiplicity of O-type stars and therefore probe the full range of separation for more than 120 massive stars (H < 7.5 mag).

Methods. We initiated a pilot survey of bright O-type stars (H < 6.5 mag) observable with MIRC-X. We observed 29 O-type stars, including two systems in average atmospheric conditions around a magnitude of H = 7.5 mag. We systematically reduced the obtained data with the public reduction pipeline of the instrument. We analyzed the reduced data using the dedicated python software CANDID to detect companions.

Results. Out of these 29 systems, we resolved 19 companions in 17 different systems with angular separations between ~0.5 and 50 mas. This results in a multiplicity fraction ƒm = 17/29 = 0.59 ± 0.09, and an average number of companions ƒc = 19/29 = 0.66 ± 0.13. Those results are in agreement with the results of the SMASH+ survey in the Southern Hemisphere. Thirteen of these companions have been resolved for the first time, including the companion responsible for the nonthermal emission in Cyg OB2-5 A and the confirmation of the candidate companion of HD 47129 suggested by SMASH+.

Conclusions. A large survey on more than 120 northern O-type stars (H < 7.5) is possible with MIRC-X and will be fruitful.
Analysing the SEDs of protoplanetary disks with machine learning
Authors: Kaeufer T. , Woitke P. , Min M. , Kamp I. , Pinte C.
Published: February 2023

Context. The analysis of spectral energy distributions (SEDs) of protoplanetary disks to determine their physical properties is known to be highly degenerate. Hence, a full Bayesian analysis is required to obtain parameter uncertainties and degeneracies. The main challenge here is computational speed, as one proper full radiative transfer model requires at least a couple of CPU minutes to compute.

Aims. We performed a full Bayesian analysis for 30 well-known protoplanetary disks to determine their physical disk properties, including uncertainties and degeneracies. To circumvent the computational cost problem, we created neural networks (NNs) to emulate the SED generation process.

Methods. We created two sets of MCFOST Monte Carlo radiative transfer disk models to train and test two NNs that predict SEDs for continuous and discontinuous disks, with 18 and 26 free model parameters, respectively. A Bayesian analysis was then performed on 30 protoplanetary disks with SED data collected by the FP7-Space DIANA project to determine the posterior distributions of all parameters. We ran this analysis twice, (i) with old distances and additional parameter constraints as used in a previous study, to compare results, and (ii) with updated distances and free choice of parameters to obtain homogeneous and unbiased model parameters. We evaluated the uncertainties in the determination of physical disk parameters from SED analysis, and detected and quantified the strongest degeneracies.

Results. The NNs are able to predict SEDs within ~1 ms with uncertainties of about 5% compared to the true SEDs obtained by the radiative transfer code. We find parameter values and uncertainties that are significantly different from previous values obtained by χ2 fitting. Comparing the global evidence for continuous and discontinuous disks, we find that 26 out of 30 objects are better described by disks that have two distinct radial zones. The analysed sample shows a significant trend for massive disks to have small scale heights, which is consistent with lower midplane temperatures in massive disks. We find that the frequently used analytic relationship between disk dust mass and millimetre-flux systematically underestimates the dust mass for high-mass disks (dust mass ≥10−4 M⊙). We determine how well the dust mass can be determined with our method for different numbers of flux measurements. As a byproduct, we created an interactive graphical tool that instantly returns the SED predicted by our NNs for any parameter combination.
The SPIRou legacy survey
Authors: Fouqué P. , Martioli E. , Donati J.-F. , Lehmann L. T. , Zaire B. , Bellotti S. , Gaidos E. , Morin J. , Moutou C. , Petit P. , Alencar S. H. P. , Arnold L. , Artigau É. , Cang T.-Q. , Carmona A. , Cook N. J. , Cortés-Zuleta P. , Cristofari P. I. , Delfosse X. , Doyon R. , Hébrard G. , Malo L. , Reylé C. , Usher C.
Published: February 2023

Context. The rotation period of stars is an important parameter together with mass, radius, and effective temperature. It is an essential parameter for any radial velocity monitoring, as stellar activity can mimic the presence of a planet at the stellar rotation period. Several methods exist to measure it, including long sequences of photometric measurements or temporal series of stellar activity indicators.

Aims. Here, we use the circular polarization in near-infrared spectral lines for a sample of 43 quiet M dwarfs and compare the measured rotation periods to those obtained with other methods.

Methods. From Stokes V spectropolarimetric sequences observed with SPIRou at the Canada-France-Hawaii Telescope and the data processed with the APERO pipeline, we computed the least-squares deconvolution profiles using different masks of atomic stellar lines with known Landé factor appropriate to the effective temperature of the star. We derived the longitudinal magnetic field to examine its possible variation in 50 to 200 observations of each star. To determine the stellar rotation period, we applied a Gaussian process regression, enabling us to determine the rotation period of stars with evolving longitudinal field.

Results. We were able to measure a rotation period for 27 of the 43 stars of our sample. The rotation period was previously unknown for 8 of these stars. Our rotation periods agree well with periods found in the literature based on photometry and activity indicators, and we confirm that near-infrared spectropolarimetry is an important tool for measuring rotation periods, even for magnetically quiet stars. Furthermore, we computed the ages for 20 stars of our sample using gyrochronology.
Threshold velocity for the collisional growth of porous dust aggregates consisting of cohesive frictionless spheres
Authors: Arakawa Sota , Tanaka Hidekazu , Kokubo Eiichiro , Nishiura Daisuke , Furuichi Mikito
Published: February 2023

Understanding the collisional outcomes of dust aggregates and their dependence on the material properties of the constituting particles is of great importance for understanding planet formation. Recent numerical simulations have revealed that interparticle tangential friction plays a crucial role in energy dissipation during collisions between porous dust aggregates, but the importance of friction for the collisional growth of dust aggregates remains poorly understood. Here we demonstrate the effects of interparticle tangential friction on the collisional growth of dust aggregates. We performed numerical simulations of collisions between equal-mass porous dust aggregates consisting of cohesive and frictionless spheres. We changed the collision velocity and impact angle systematically and calculated the collisional growth efficiency as a function of the collision velocity. We found that the threshold velocity for collisional growth decreases when dust aggregates are made of frictionless spheres compared to frictional spheres. Our results highlight the importance of tangential interactions for the collisional behavior of dust aggregates and indicate that the predictive equation for the threshold velocity should be reconstructed.