bluuebunny/crossref_metadata_2025 huggingface dataset:
Mesolimbic dopamine adapts the rate of learning from action
Authors: Coddington Luke T. , Lindo Sarah E. , Dudman Joshua T.
Published: January 2023

Recent success in training artificial agents and robots derives from a combination of direct learning of behavioural policies and indirect learning through value functions1–3. Policy learning and value learning use distinct algorithms that optimize behavioural performance and reward prediction, respectively. In animals, behavioural learning and the role of mesolimbic dopamine signalling have been extensively evaluated with respect to reward prediction4; however, so far there has been little consideration of how direct policy learning might inform our understanding5. Here we used a comprehensive dataset of orofacial and body movements to understand how behavioural policies evolved as naive, head-restrained mice learned a trace conditioning paradigm. Individual differences in initial dopaminergic reward responses correlated with the emergence of learned behavioural policy, but not the emergence of putative value encoding for a predictive cue. Likewise, physiologically calibrated manipulations of mesolimbic dopamine produced several effects inconsistent with value learning but predicted by a neural-network-based model that used dopamine signals to set an adaptive rate, not an error signal, for behavioural policy learning. This work provides strong evidence that phasic dopamine activity can regulate direct learning of behavioural policies, expanding the explanatory power of reinforcement learning models for animal learning6.
Genetic predictors of lifelong medication-use patterns in cardiometabolic diseases
Authors: Kiiskinen Tuomo , Helkkula Pyry , Krebs Kristi , Karjalainen Juha , Saarentaus Elmo , Mars Nina , Lehisto Arto , Zhou Wei , Cordioli Mattia , Jukarainen Sakari , Rämö Joel T. , Mehtonen Juha , Veerapen Kumar , Räsänen Markus , Ruotsalainen Sanni , Maasha Mutaamba ,   FinnGen, Niiranen Teemu , Tuomi Tiinamaija , Salomaa Veikko , Kurki Mitja , Pirinen Matti , Palotie Aarno , Daly Mark , Ganna Andrea , Havulinna Aki S. , Milani Lili , Ripatti Samuli
Published: January 2023

Little is known about the genetic determinants of medication use in preventing cardiometabolic diseases. Using the Finnish nationwide drug purchase registry with follow-up since 1995, we performed genome-wide association analyses of longitudinal patterns of medication use in hyperlipidemia, hypertension and type 2 diabetes in up to 193,933 individuals (55% women) in the FinnGen study. In meta-analyses of up to 567,671 individuals combining FinnGen with the Estonian Biobank and the UK Biobank, we discovered 333 independent loci (P < 5 × 10–9) associated with medication use. Fine-mapping revealed 494 95% credible sets associated with the total number of medication purchases, changes in medication combinations or treatment discontinuation, including 46 credible sets in 40 loci not associated with the underlying treatment targets. The polygenic risk scores (PRS) for cardiometabolic risk factors were strongly associated with the medication-use behavior. A medication-use enhanced multitrait PRS for coronary artery disease matched the performance of a risk factor-based multitrait coronary artery disease PRS in an independent sample (UK Biobank, n = 343,676). In summary, we demonstrate medication-based strategies for identifying cardiometabolic risk loci and provide genome-wide tools for preventing cardiovascular diseases.
Real-world COVID-19 vaccine effectiveness against the Omicron BA.2 variant in a SARS-CoV-2 infection-naive population
Authors: Lau Jonathan J. , Cheng Samuel M. S. , Leung Kathy , Lee Cheuk Kwong , Hachim Asmaa , Tsang Leo C. H. , Yam Kenny W. H. , Chaothai Sara , Kwan Kelvin K. H. , Chai Zacary Y. H. , Lo Tiffany H. K. , Mori Masashi , Wu Chao , Valkenburg Sophie A. , Amarasinghe Gaya K. , Lau Eric H. Y. , Hui David S. C. , Leung Gabriel M. , Peiris Malik , Wu Joseph T.
Published: January 2023

The SARS-CoV-2 Omicron variant has demonstrated enhanced transmissibility and escape of vaccine-derived immunity. Although first-generation vaccines remain effective against severe disease and death, robust evidence on vaccine effectiveness (VE) against all Omicron infections, irrespective of symptoms, remains sparse. We used a community-wide serosurvey with 5,310 subjects to estimate how vaccination histories modulated risk of infection in infection-naive Hong Kong during a large wave of Omicron BA.2 epidemic in January–July 2022. We estimated that Omicron infected 45% (41–48%) of the local population. Three and four doses of BNT162b2 or CoronaVac were effective against Omicron infection 7 days after vaccination (VE of 48% (95% credible interval 34–64%) and 69% (46–98%) for three and four doses of BNT162b2, respectively; VE of 30% (1–66%) and 56% (6–97%) for three and four doses of CoronaVac, respectively). At 100 days after immunization, VE waned to 26% (7–41%) and 35% (10–71%) for three and four doses of BNT162b2, and to 6% (0–29%) and 11% (0–54%) for three and four doses of CoronaVac. The rapid waning of VE against infection conferred by first-generation vaccines and an increasingly complex viral evolutionary landscape highlight the necessity for rapidly deploying updated vaccines followed by vigilant monitoring of VE.
Ppe.CR.1 DNA test for predicting chilling requirement in peach
Authors: Demirel Gizem , Calle Alejandro , Lawton John Mark , Atagul Omer , Fu Wanfang , Gasic Ksenija
Published: January 2023

Chilling requirement (CR) is an important agronomic trait controlling the floral bud break for proper flowering in peach. Even though it has been widely researched and several peach CR quantitative trait loci (QTLs) have been identified, no diagnostic DNA tests validated in the U.S. peach breeding germplasm are available for this trait. Breeders and growers need a simple DNA test to predict the CR of peach cultivars for their particular environment. Therefore, we developed a quick and reliable Kompetitive Allele Specific PCR (KASP) DNA test using haplotype information from 9K IPSC genotype data of the U.S. peach germplasm integrating four CR-associated SNP markers from the previously reported CR QTL region on linkage group 1. Four KASP assays (Ppe.CR.1-1 to -4) were developed and validated on 77 peach cultivars, and nine accessions from two F2 populations, with 96 and 74% accuracy in determining expected CR genotype (compared to SNP array) and predicting phenotype, respectively. Furthermore, the Ppe.CR.1 showed 80% accuracy in predicting the precise CR phenotype in the Clemson University peach breeding material. Only one Ppe.CR.1 KASP assay (Ppe.CR.1-1) is needed to distinguish between haplotypes with CR lower and higher than 800 chilling hours, and two Ppe.CR.1 assays (Pp.CR.1-1 and -4), are capable of distinguishing low, moderate, and high CR alleles. Coupled with the crude DNA extraction, the Ppe.CR.1 DNA test provides a low-cost option for breeders and growers to predict CR in peach material with more than 70% accuracy.
Molecular diagnosis and novel genes and phenotypes in a pediatric thoracic insufficiency cohort
Authors: Strong Alanna , Behr Meckenzie , Lott Carina , Clark Abigail J. , Mentch Frank , Da Silva Renata Pellegrino , Rux Danielle R. , Campbell Robert , Skraban Cara , Wang Xiang , Anari Jason B. , Sinder Benjamin , Cahill Patrick J. , Sleiman Patrick , Hakonarson Hakon
Published: January 2023

Thoracic insufficiency syndromes are a genetically and phenotypically heterogeneous group of disorders characterized by congenital abnormalities or progressive deformation of the chest wall and/or vertebrae that result in restrictive lung disease and compromised respiratory capacity. We performed whole exome sequencing on a cohort of 42 children with thoracic insufficiency to elucidate the underlying molecular etiologies of syndromic and non-syndromic thoracic insufficiency and predict extra-skeletal manifestations and disease progression. Molecular diagnosis was established in 24/42 probands (57%), with 18/24 (75%) probands having definitive diagnoses as defined by laboratory and clinical criteria and 6/24 (25%) probands having strong candidate genes. Gene identified in cohort patients most commonly encoded components of the primary cilium, connective tissue, and extracellular matrix. A novel association between KIF7 and USP9X variants and thoracic insufficiency was identified. We report and expand the genetic and phenotypic spectrum of a cohort of children with thoracic insufficiency, reinforce the prevalence of extra-skeletal manifestations in thoracic insufficiency syndromes, and expand the phenotype of KIF7 and USP9X-related disease to include thoracic insufficiency.
Appendiceal wall thickness and Alvarado score are predictive of acute appendicitis in the patients with equivocal computed tomography findings
Authors: Krisem Massupa , Jenjitranant Pinporn , Thampongsa Tharin , Wongwaisayawan Sirote
Published: January 2023

Around 8–13% of the patients who underwent CT scan for diagnosis of appendicitis had equivocal CT results. About one-third of these patients had acute appendicitis and this caused diagnostic challenge to the clinicians. This study was conducted to identify clinical and imaging features that were predictive of acute appendicitis in patients who had equivocal CT findings. During January 2015 to June 2021, we retrospectively included 103 consecutive CT scans of adult patients (22 men and 81 women; mean age, 39.1 ± 17.5 years) who had equivocal CT findings of acute appendicitis. Two readers, blinded to the clinical data, independently assessed CT images for the relevant CT findings of appendicitis. Any disagreement between the readers was solved by consensus. The clinical parameters and CT findings were analyzed and compared between the patients who had appendicitis and patients who did not have appendicitis. Thirty-one (30.1%) patients had appendicitis, all of which were non-complicated. The appendiceal wall thickness of ≥ 2 mm and the Alvarado score of ≥ 7 were independent predictors of appendicitis with adjusted odds ratios (ORs) of 2.76 (95% CI, 1.09–7.02) and 1.47 (95% CI, 1.12–1.94), respectively. The maximal appendiceal diameter was higher in the appendicitis group (7.2 ± 1.2 mm vs. 6.5 ± 1.0 mm), but not predictive of appendicitis. The rest of the clinical parameters and CT findings, including mucosal hyperenhancement, periappendiceal fat reticulation, thickening of peritoneal reflection, appendicolith, focal cecal thickening, and content in appendiceal lumen showed no significant difference between two groups. The appendiceal wall thickness and the Alvarado score were able to predict appendicitis in patients who had equivocal CT findings.
Prognosis prediction in traumatic brain injury patients using machine learning algorithms
Authors: Khalili Hosseinali , Rismani Maziyar , Nematollahi Mohammad Ali , Masoudi Mohammad Sadegh , Asadollahi Arefeh , Taheri Reza , Pourmontaseri Hossein , Valibeygi Adib , Roshanzamir Mohamad , Alizadehsani Roohallah , Niakan Amin , Andishgar Aref , Islam Sheikh Mohammed Shariful , Acharya U. Rajendra
Published: January 2023

Predicting treatment outcomes in traumatic brain injury (TBI) patients is challenging worldwide. The present study aimed to achieve the most accurate machine learning (ML) algorithms to predict the outcomes of TBI treatment by evaluating demographic features, laboratory data, imaging indices, and clinical features. We used data from 3347 patients admitted to a tertiary trauma centre in Iran from 2016 to 2021. After the exclusion of incomplete data, 1653 patients remained. We used ML algorithms such as random forest (RF) and decision tree (DT) with ten-fold cross-validation to develop the best prediction model. Our findings reveal that among different variables included in this study, the motor component of the Glasgow coma scale, the condition of pupils, and the condition of cisterns were the most reliable features for predicting in-hospital mortality, while the patients’ age takes the place of cisterns condition when considering the long-term survival of TBI patients. Also, we found that the RF algorithm is the best model to predict the short-term mortality of TBI patients. However, the generalized linear model (GLM) algorithm showed the best performance (with an accuracy rate of 82.03 ± 2.34) in predicting the long-term survival of patients. Our results showed that using appropriate markers and with further development, ML has the potential to predict TBI patients’ survival in the short- and long-term.
Increased lactate dehydrogenase reflects the progression of COVID-19 pneumonia on chest computed tomography and predicts subsequent severe disease
Authors: Kojima Kensuke , Yoon Hyungeun , Okishio Kyoichi , Tsuyuguchi Kazunari
Published: January 2023

Chest computed tomography (CT) is effective for assessing the severity of coronavirus disease 2019 (COVID-19). However, the clinical factors reflecting the disease progression of COVID-19 pneumonia on chest CT and predicting a subsequent exacerbation remain controversial. We conducted a retrospective cohort study of 450 COVID-19 patients. We used an automated image processing tool to quantify the COVID-19 pneumonia lesion extent on chest CT at admission. The factors associated with the lesion extent were estimated by a multiple regression analysis. After adjusting for background factors by propensity score matching, we conducted a multivariate Cox proportional hazards analysis to identify factors associated with severe disease after admission. The multiple regression analysis identified, body-mass index (BMI), lactate dehydrogenase (LDH), C-reactive protein (CRP), and albumin as continuous variables associated with the lesion extent on chest CT. The standardized partial regression coefficients for them were 1.76, 2.42, 1.54, and 0.71. The multivariate Cox proportional hazards analysis identified LDH (hazard ratio, 1.003; 95% confidence interval, 1.001–1.005) as a factor independently associated with the development of severe COVID-19 pneumonia. Increased serum LDH at admission may be useful in real-world clinical practice for the simple screening of COVID-19 patients at high risk of developing subsequent severe disease.
Genome-wide association study of varicose veins identifies a protective missense variant in GJD3 enriched in the Finnish population
Authors: Helkkula Pyry , Hassan Shabbeer , Saarentaus Elmo , Vartiainen Emilia , Ruotsalainen Sanni , Leinonen Jaakko T. ,   FinnGen, Palotie Aarno , Karjalainen Juha , Kurki Mitja , Ripatti Samuli , Tukiainen Taru
Published: January 2023

Varicose veins is the most common manifestation of chronic venous disease that displays female-biased incidence. To identify protein-inactivating variants that could guide identification of drug target genes for varicose veins and genetic evidence for the disease prevalence difference between the sexes, we conducted a genome-wide association study of varicose veins in Finns using the FinnGen dataset with 17,027 cases and 190,028 controls. We identified 50 associated genetic loci (P < 5.0 × 10−8) of which 29 were novel including one near ERG with female-specificity (rs2836405-G, OR[95% CI] = 1.09[1.05–1.13], P = 3.1 × 10−8). These also include two X-chromosomal (ARHGAP6 and SRPX) and two autosomal novel loci (TGFB2 and GJD3) with protein-coding lead variants enriched above 56-fold in Finns over non-Finnish non-Estonian Europeans. A low-frequency missense variant in GJD3 (p.Pro59Thr) is exclusively associated with a lower risk for varicose veins (OR = 0.62 [0.55–0.70], P = 1.0 × 10−14) in a phenome-wide scan of the FinnGen data. The absence of observed pleiotropy and its membership of the connexin gene family underlines GJD3 as a potential connexin-modulating therapeutic strategy for varicose veins. Our results provide insights into varicose veins etiopathology and highlight the power of isolated populations, including Finns, to discover genetic variants that inform therapeutic development.
Transcriptomic survey of key reproductive and metabolic tissues in mouse models of polycystic ovary syndrome
Authors: Pei Yu , Risal Sanjiv , Jiang Hong , Lu Haojiang , Lindgren Eva , Stener-Victorin Elisabet , Deng Qiaolin
Published: January 2023

Excessive androgen production and obesity are key to polycystic ovary syndrome (PCOS) pathogenesis. Prenatal androgenized (PNA), peripubertal androgenized, and overexpression of nerve growth factor in theca cells (17NF) are commonly used PCOS-like mouse models and diet-induced maternal obesity model is often included for comparsion. To reveal the molecular features of these models, we have performed transcriptome survey of the hypothalamus, adipose tissue, ovary and metaphase II (MII) oocytes. The largest number of differentially expressed genes (DEGs) is found in the ovaries of 17NF and in the adipose tissues of peripubertal androgenized models. In contrast, hypothalamus is most affected in PNA and maternal obesity models suggesting fetal programming effects. The Ms4a6e gene, membrane-spanning 4-domains subfamily A member 6E, a DEG identified in the adipose tissue in all mouse models is also differently expressed in adipose tissue of women with PCOS, highlighting a conserved disease function. Our comprehensive transcriptomic profiling of key target tissues involved in PCOS pathology highlights the effects of developmental windows for androgen exposure and maternal obesity, and provides unique resource to investigate molecular mechanisms underlying PCOS pathogenesis.
A streamlined tandem tip-based workflow for sensitive nanoscale phosphoproteomics
Authors: Tsai Chia-Feng , Wang Yi-Ting , Hsu Chuan-Chih , Kitata Reta Birhanu , Chu Rosalie K. , Velickovic Marija , Zhao Rui , Williams Sarah M. , Chrisler William B. , Jorgensen Marda L. , Moore Ronald J. , Zhu Ying , Rodland Karin D. , Smith Richard D. , Wasserfall Clive H. , Shi Tujin , Liu Tao
Published: January 2023

Effective phosphoproteome of nanoscale sample analysis remains a daunting task, primarily due to significant sample loss associated with non-specific surface adsorption during enrichment of low stoichiometric phosphopeptide. We develop a tandem tip phosphoproteomics sample preparation method that is capable of sample cleanup and enrichment without additional sample transfer, and its integration with our recently developed SOP (Surfactant-assisted One-Pot sample preparation) and iBASIL (improved Boosting to Amplify Signal with Isobaric Labeling) approaches provides a streamlined workflow enabling sensitive, high-throughput nanoscale phosphoproteome measurements. This approach significantly reduces both sample loss and processing time, allowing the identification of >3000 (>9500) phosphopeptides from 1 (10) µg of cell lysate using the label-free method without a spectral library. It also enables precise quantification of ~600 phosphopeptides from 100 sorted cells (single-cell level input for the enriched phosphopeptides) and ~700 phosphopeptides from human spleen tissue voxels with a spatial resolution of 200 µm (equivalent to ~100 cells) in a high-throughput manner. The new workflow opens avenues for phosphoproteome profiling of mass-limited samples at the low nanogram level.
Zyxin regulates embryonic stem cell fate by modulating mechanical and biochemical signaling interface
Authors: Zhang Songjing , Chong Lor Huai , Woon Jessie Yong Xing , Chua Theng Xuan , Cheruba Elsie , Yip Ai Kia , Li Hoi-Yeung , Chiam Keng-Hwee , Koh Cheng-Gee
Published: January 2023

Biochemical signaling and mechano-transduction are both critical in regulating stem cell fate. How crosstalk between mechanical and biochemical cues influences embryonic development, however, is not extensively investigated. Using a comparative study of focal adhesion constituents between mouse embryonic stem cell (mESC) and their differentiated counterparts, we find while zyxin is lowly expressed in mESCs, its levels increase dramatically during early differentiation. Interestingly, overexpression of zyxin in mESCs suppresses Oct4 and Nanog. Using an integrative biochemical and biophysical approach, we demonstrate involvement of zyxin in regulating pluripotency through actin stress fibres and focal adhesions which are known to modulate cellular traction stress and facilitate substrate rigidity-sensing. YAP signaling is identified as an important biochemical effector of zyxin-induced mechanotransduction. These results provide insights into the role of zyxin in the integration of mechanical and biochemical cues for the regulation of embryonic stem cell fate.
The germline factor DDX4 contributes to the chemoresistance of small cell lung cancer cells
Authors: Noyes Christopher , Kitajima Shunsuke , Li Fengkai , Suita Yusuke , Miriyala Saradha , Isaac Shakson , Ahsan Nagib , Knelson Erik , Vajdi Amir , Tani Tetsuo , Thai Tran C. , Xu Derek , Murai Junko , Tapinos Nikos , Takahashi Chiaki , Barbie David A. , Yajima Mamiko
Published: January 2023

Human cancers often re-express germline factors, yet their mechanistic role in oncogenesis and cancer progression remains unknown. Here we demonstrate that DEAD-box helicase 4 (DDX4), a germline factor and RNA helicase conserved in all multicellular organisms, contributes to increased cell motility and cisplatin-mediated drug resistance in small cell lung cancer (SCLC) cells. Proteomic analysis suggests that DDX4 expression upregulates proteins related to DNA repair and immune/inflammatory response. Consistent with these trends in cell lines, DDX4 depletion compromised in vivo tumor development while its overexpression enhanced tumor growth even after cisplatin treatment in nude mice. Further, the relatively higher DDX4 expression in SCLC patients correlates with decreased survival and shows increased expression of immune/inflammatory response markers. Taken together, we propose that DDX4 increases SCLC cell survival, by increasing the DNA damage and immune response pathways, especially under challenging conditions such as cisplatin treatment.
The synthesis of single-atom catalysts for heterogeneous catalysis
Authors: Fang Jiaojiao , Chen Qingqing , Li Zhi , Mao Junjie , Li Yadong
Published: January 2023

We summarize the recent progress in the precise synthesis of SACs and introduce the application of SACs in different heterogeneous catalyses.
A “dual-key-and-lock” ratiometric fluorescent probe with biocompatibility and selectivity for imaging vicinal dithiol proteins
Authors: Zou Guang-Yue , Wen Yun , Bi Fan , Chen Shuai , Yu Yong-Liang , Wang Jian-Hua
Published: January 2023

A ratiometric fluorescent probe based on a “dual-key-and-lock” design was reported for the imaging of vicinal dithiol proteins in living cells.
Ti-MOF single-crystals featuring an intracrystal macro–microporous hierarchy for catalytic oxidative desulfurization
Authors: Yu Shen , Xiao Yu , Liu Zhan , Lyu Jia-Min , Wang Yi-Long , Hu Zhi-Yi , Li Yu , Sun Ming-Hui , Chen Li-Hua , Su Bao-Lian
Published: January 2023

For the first time, a Ti-MOF (NTU-9) single-crystal featuring an intracrystal macro–microporous hierarchy is obtained by a novel vapor-assisted polymer-templated method, exhibiting excellent catalytic oxidative desulfurization performance.
Diversified access to di- and trisubstituted allenes via nickel-catalysed reactions of 1,3-enynes with alkyl N-hydroxyphthalimide esters
Authors: Liu Hong , Lei Wan , Li Yan , Fang Yewen
Published: January 2023

Allenylation: based on a reductive radical-polar crossover process, di- and trisubstituted allenes could be accessed via the reactions of 1,3-enynes with alkyl NHPI esters enabled by nickel catalysis.
Circularly polarized near-infrared phosphorescence of chiral chromium(iii) complexes
Authors: Cheng Yang , He Jiang , Zou Wenjie , Chang Xiaoyong , Yang Qingqing , Lu Wei
Published: January 2023

Near-infrared 850 nm Cr(iii) emissions with handedness in degassed solutions were induced by ligand carbon-centred chirality.
Excited-state intramolecular proton transfer (ESIPT)-based fluorescent probes for biomarker detection: design, mechanism, and application
Authors: Gu Hao , Wang Wenjing , Wu Wenyan , Wang Maolin , Liu Yongrong , Jiao Yanjun , Wang Fan , Wang Fang , Chen Xiaoqiang
Published: January 2023

Biomarkers are essential in biology, physiology, and pharmacology; thus, their detection is of extensive importance.
Peroxide-cleavable linkers for antibody–drug conjugates
Authors: Ashman Nicola , Bargh Jonathan D. , Walsh Stephen J. , Greenwood Ryan D. , Tiberghien Arnaud , Carroll Jason S. , Spring David R.
Published: January 2023

Peroxide-cleavable arylboronates are stable linkers for the generation of efficacious antibody–drug conjugates.
Building a cobaloxime-based metal–organic framework for photocatalytic aerobic oxidation of arylboronic acids to phenols
Authors: Xiao Yonghong , Zhu Can-Ming , Liang Rong-Bin , Huang Yong-Liang , Hai Chun-Hua , Chen Jian-Rui , Li Mian , Zhong Jian-Ji , Huang Xiao-Chun
Published: January 2023

An unprecedented cobaloxime-based zirconium metal–organic framework (Zr-TCPCo) is designed and synthesized, which exhibits excellent catalytic activity for aerobic oxidation of arylboronic acids to phenols as a photocatalyst.
Revisiting two thiophosphate compounds constituting d0transition metal HfP2S6and d10transition metal α-Ag4P2S6as multifunctional materials for combining second harmonic generation response and photocurrent response
Authors: Cropek Craig , Ji Bingheng , Sarkar Arka , Wang Fei , Syed Tajamul Hussain , Wei Wei , Guo Sheng-Ping , Wang Jian
Published: January 2023

A new multifunctional material α-Ag4P2S6, which combines moderate photocurrent response and second harmonic generation coefficients, can be grown as mm-sized crystals with salt flux AgBr.
High-level ab initio mapping of the multiple H-abstraction pathways of the OH + glycine reaction
Authors: Gruber Balázs , Czakó Gábor
Published: January 2023

Stationary points along the different H-abstraction pathways of the OH + glycine multi-channel reaction are revealed and characterized by high-level composite ab initio computations.
Oxygen diffusion in the orthorhombic FeNbO4 material: a computational study
Authors: Wang Xingyu , Santos-Carballal David , de Leeuw Nora H.
Published: January 2023

The stoichiometric orthorhombic FeNbO4 structure is stabilised by cation ordering, whereas oxygen vacancies promote cation disorder. Oxygen diffusion through the lattice is enhanced by oxygen vacancies, but cation disorder leads to slower diffusion.
Recent advances in microfluidics-based bioNMR analysis
Authors: Li Zheyu , Bao Qingjia , Liu Chaoyang , Li Ying , Yang Yunhuang , Liu Maili
Published: January 2023

Microfluidics and NMR have their own specific features, and integration of the two approaches allows non-invasive and label-free analysis of biochemical samples.
Bioelectronic microfluidic wound healing: a platform for investigating direct current stimulation of injured cell collectives
Authors: Shaner Sebastian , Savelyeva Anna , Kvartuh Anja , Jedrusik Nicole , Matter Lukas , Leal José , Asplund Maria
Published: January 2023

An on-chip bioelectronic platform for exploring precise direct current electric field stimulation of injured keratinocytes with salt-bridgeless electrodes.
Copper nano-architecture topical cream for the accelerated recovery of burnt skin
Authors: Ermini Maria Laura , Summa Maria , Zamborlin Agata , Frusca Valentina , Mapanao Ana Katrina , Mugnaioli Enrico , Bertorelli Rosalia , Voliani Valerio
Published: January 2023

This study demonstrates the potential of copper nanotechnology for the topical treatment of burn injuries and opens new horizons in oncological dermatology.
Discrimination between protein glycoforms using lectin-functionalised gold nanoparticles as signal enhancers
Authors: Neves Marta M. P. S. , Richards Sarah-Jane , Baker Alexander N. , Walker Marc , Georgiou Panagiotis G. , Gibson Matthew I.
Published: January 2023

Biolayer interferometry is used to distinguish between glycoforms of the same using lectin-functional nanoparticles as both readers, and signal enhancers. The use of this is exemplified with prostate specific antigen.
l-Methionine-Zr complex supported on magnetic ZnFe2O4 as a novel, green, and efficient heterogeneous magnetic nanocatalyst for the synthesis of 1H-tetrazole and polyhydroquinoline derivatives
Authors: Khanmohammadi-Sarabi Farhad , Ghorbani-Choghamarani Arash , Aghavandi Hamid , Zolfigol Mohammad Ali
Published: January 2023

A novel, efficient and recoverable heterogeneous nanocatalyst for green chemistry was designed. ZnFe2O4@SiO2@l-methionine-Zr MNPs were prepared in a short, simple way. The synthesized catalyst was assessed for the synthesis of tetrazole and polyhydroquinoline derivatives.
Induced cytotoxicity of peptides with crypto-thioester through native chemical ligation
Authors: Lee Jeonghun , Oh Eun-Taex , Kim Jinhyeok , Kim Kitae , Park Heon Joo , Kim Chulhee
Published: January 2023

For induced cytotoxicity, peptide fragments with low cytotoxicity were prepared, which can be coupled to form cytotoxic KLA peptide derivatives through native chemical ligation in reducing environments.
Hydrodeoxygenation of oleic acid over NiMo bimetallic catalysts supported on niobium phosphate
Authors: Wei Ruiping , Zhang Lixiang , Tian Mengyuan , Cai Zhaotian , Shao Zhenyu , Gao Lijing , Zhang Jin , Guo Xiaoxuan , Xiao Guomin
Published: January 2023

The properties of the support have profound effects on the catalytic performance of the supported catalyst.
Cellulose nanocrystals as renewable materials for suppressing hazardous PM2.5 pollution
Authors: Udomsri Chaowanan , Sapcharoenkun Chaweewan , Ekgasit Sanong , Parnklang Tewarak
Published: January 2023

Celluose nanocrystals (CNCs) with negatively charged sulfate groups could be employed as a direct PM2.5 capture agent. The CNC-based air filter exhibits high PM2.5 capture efficiency of 94% with good air flowability.
A terpyridine-appended hexaarylbenzene fluorophore: synthesis, photophysical properties and application for the colorimetric detection of Fe2+ in aqueous solution
Authors: Tian Xiaochang , Li Jianye , Gu Cancan , Yin Guohui , Zhang Yuecheng , Zhao Jiquan , Cao Xiaohui
Published: January 2023

A hexaarylbenzene-based push–pull fluorophore featuring unusual uphill emission was prepared, which can act as a colorimetric sensor for detecting Fe2+.
Effect of terminal fluorine substitution of a nonfullerene small molecular acceptor on the thermal stability of organic solar cells
Authors: Zeng Guang , Li Hanming , Tan Fang , Xin Yue , Zhang Shengdong
Published: January 2023

End group fluorine substitution of ITIC can improve the device efficiency but reduces the thermal stability of the device.
Computational studies of the CuAAC reaction mechanism with diimine and phosphorus ligands for the synthesis of 1,4-disubstituted 1,2,3-triazoles
Authors: Badawi Mohammad Abd Al-Hakim , Khairbek Ali A. , Thomas Renjith
Published: January 2023

The Cu(i)-catalyzed azide-alkyne cycloaddition (CuAAC) reactions with diimine and phosphorus ligands have been studied using DFT calculations in order to understand the effect of the nature of the ligands on the catalytic cycle for the formation of the 1,4-regioisomer.
Design of Eu(TTA)3phen-incorporated SiO2-coated transition metal oxide nanoparticles for efficient luminescence and magnetic performance
Authors: Hong Yun-Kun , Kim Hyun Tae , Park Yoonsu , Jeong Wooseok , Kim Minyoung , Hwang Eunseo , Hwang Yun Jae , Lee Min-Ho , Ha Don-Hyung
Published: January 2023

We demonstrate the design of multifunctional nanoparticles (NPs) via double layer approach. This approach is suitable for applying the synthesis of luminescent and magnetic NPs with long-term luminescence stability and paramagnetic properties.
Achieving ultrastability and efficient lithium storage capacity with high-energy iron(ii) oxalate anode materials by compositing Ge nano-conductive sites
Authors: Song Tingyu , Gao Geng , Cui Dingfang , Wang Chong , Zhang Hui , Liang Feng , Yang Bin , Zhang Keyu , Yao Yaochun
Published: January 2023

Transition metal oxalates (TMOxs, represented by iron oxalate) have attracted considerable interest in anode materials due to their excellent lithium storage properties and consistent cyclic performance.
An in solution adsorption characterization technique based on the response to an external magnetic field of porous paramagnetic materials: application on supramolecular metal–adenine frameworks containing heterometallic heptameric clusters
Authors: Pascual-Colino Jon , Pérez-Aguirre Rubén , Beobide Garikoitz , Castillo Oscar , de Pedro Imanol , Luque Antonio , Mena-Gutiérrez Sandra , Pérez-Yáñez Sonia
Published: January 2023

Magnetic sustentation experiments are employed to monitor the adsorption process of a supramolecularly assembled MOF in solution.
Electrodeposition of activated carbon on Ni foam for monolithic catalysts and intensification of hydrogenation performance in a micropacked bed
Authors: Ma Chi , Liu Wei , Lou Fengyan , Zhang Chenghao , Zhang Jisong
Published: January 2023

Thin and uniform activated carbon coatings were prepared by electrodeposition, and Pd was uniformly distributed on the coatings. The catalysts by electrodeposition have good external mass transfer performance and hydrogenation activity and stability.
Fabrication of a stable Au/Ta2O5 plasmonic photoanode for water splitting under visible light irradiation
Authors: Fudo Eri , Asakura Hiroyuki , Tanaka Atsuhiro , Kominami Hiroshi
Published: January 2023

Plasmonic water splitting to H2 and O2 with the ratio of 2 : 1 occurred continuously under irradiation of visible light when an Au/Ta2O5/FTO photoanode was used under an externally applied potential of 0.8 V vs. RHE to a Pt counter electrode.
A constitutive theory for large stretch behaviors of slide-ring gels by considering molecular frictions
Authors: Lu Di , Chen Bin
Published: January 2023

With a constitutive theory, effects of molecular frictions on large stretch behaviors of slide-ring hydrogels are revealed.
Photoresponsive reversible self-assembly of rod-coil amphiphiles containing spiropyran groups
Authors: Ye Nan , Pei Yi-rong , Han Qingqing , Jin Long Yi
Published: January 2023

Photoresponsive self-assembling process of rod-coil amphiphiles with spiropyran units was investigated, and achieved visual recognition of copper ions.
Correction: Controlled synthesis of water-dispersible and superparamagnetic Fe3O4 nanomaterials by a microwave-assisted solvothermal method: from nanocrystals to nanoclusters
Authors: Jing Xunan , Liu Tianhui , Wang Daquan , Liu Jing , Meng Lingjie
Published: January 2023

Correction for ‘Controlled synthesis of water-dispersible and superparamagnetic Fe3O4 nanomaterials by a microwave-assisted solvothermal method: from nanocrystals to nanoclusters’ by Xunan Jing et al., CrystEngComm, 2017, 19, 5089–5099, https://doi.org/10.1039/C7CE01191A.
Correction: Unconventional sulfur transfer behaviour of 4-hydroxy-dithiocoumarin: an easy access to biologically potent 1,2-dithiolane scaffolds
Authors: Mahato Karuna , Mondal Santa , Ali Ahmad , Bagdi Prasanta Ray , Khan Abu T. , Arora Neha , Ghosh Siddhartha Sankar
Published: January 2023

Correction for ‘Unconventional sulfur transfer behaviour of 4-hydroxy-dithiocoumarin: an easy access to biologically potent 1,2-dithiolane scaffolds’ by Karuna Mahato et al., New J. Chem., 2023, https://doi.org/10.1039/d2nj04791h.
Short‐time wind speed prediction based on Legendre multi‐wavelet neural network
Authors: Zheng Xiaoyang , Jia Dongqing , Lv Zhihan , Luo Chengyou , Zhao Junli , Ye Zeyu
Published: January 2023

As one of the most widespread renewable energy sources, wind energy is now an important part of the power system. Accurate and appropriate wind speed forecasting has an essential impact on wind energy utilisation. However, due to the stochastic and uncertain nature of wind energy, more accurate forecasting is necessary for its more stable and safer utilisation. This paper proposes a Legendre multiwavelet‐based neural network model for non‐linear wind speed prediction. It combines the excellent properties of Legendre multi‐wavelets with the self‐learning capability of neural networks, which has rigorous mathematical theory support. It learns input‐output data pairs and shares weights within divided subintervals, which can greatly reduce computing costs. We explore the effectiveness of Legendre multi‐wavelets as an activation function. Meanwhile, it is successfully being applied to wind speed prediction. In addition, the application of Legendre multi‐wavelet neural networks in a hybrid model in decomposition‐reconstruction mode to wind speed prediction problems is also discussed. Numerical results on real data sets show that the proposed model is able to achieve optimal performance and high prediction accuracy. In particular, the model shows a more stable performance in multi‐step prediction, illustrating its superiority.
The bubble formation characteristics of oil‐paper insulation and its influence on insulation performance
Authors: Zhang Yiyi , Du Qianlun , Wei Wenchang , Wang Wenqiang , Wang Gang , Liu Yansong , Xie Qing
Published: January 2023

Engineering experience shows that for transformers with long service life and serious moisture exposure, the inter‐turn paper insulation inside the winding will precipitate bubbles under the condition of electric field and conductor heating, which will endanger the equipment insulation. In order to explore the influence factors of bubbles formation in the moist insulating paper of transformers, based on the existing research on the influence of moisture content and gas dissolution in transformer oil, this study further considers the influence of air pressure (AP) and electric field and establishes an experimental platform to change the air pressure and electric field, thereby studying the formation characteristics of bubbles in oil‐paper insulation. The results show that air pressure and electric field can affect the initial temperature, volume, and shape of bubble formation. From 0 to −0.05 MPa for air pressure, the initial temperature of bubble generation decreased by 41°C, its maximum two‐dimensional projected area increased by 418.4% with more severe distortion, and the breakdown voltage decreased. When the AC voltage applied on the needle plate electrode increased from 0 to 10 kV, the initial temperature of bubble formation increased by 29°C, and the maximum two‐dimensional projection area increased by 336.6%.
Parallel diode‐clamped linear converter for withstand test and partial discharge measurement of electric equipment
Authors: Zhou Yuxiong , Chen Baichao , Tian Cuihua , Yuan Jiaxin , Chen Yaojun
Published: January 2023

High‐voltage withstand tests are essential for electric equipment like power transformers, electric cable lines, gas insulated switchgears etc. The partial discharge (PD) measurement for such equipment under applied high voltage is also required at the same time. Pulse Width Modulation (PWM)‐based variable frequency power supply (VFPS) finds wide applications in the series resonance high‐voltage testing circuits. However, the steep rising and falling voltage edges in the PWM process will produce large amount of partial discharge interference in a wide spectrum range, which will confuse the real partial discharge signal of the device and lead to the wrong estimation of the insulation status. This paper proposes a new VFPS based on the high‐efficiency linear power amplifier without PD interference. The topology and principle of the VFPS are given and discussed. A prototype rated at 232 V/35 A was designed and constructed to verify the feasibility of the proposed VFPS. Physical experiments were carried out on the prototype.
Asgard/NOTT: L-band nulling interferometry at the VLTI
Authors: Laugier Romain , Defrère Denis , Woillez Julien , Courtney-Barrer Benjamin , Dannert Felix A. , Matter Alexis , Dandumont Colin , Gross Simon , Absil Olivier , Bigioli Azzurra , Garreau Germain , Labadie Lucas , Loicq Jérôme , Martinod Marc-Antoine , Mazzoli Alexandra , Raskin Gert , Sanny Ahmed
Published: January 2023

Context. NOTT (formerly Hi-5) is a new high-contrast L′ band (3.5–4.0 µm) beam combiner for the VLTI designed with an ambitious aim to be sensitive to young giant exoplanets down to 5 mas separation around nearby stars. The performance of nulling interferometers in these wavelengths is affected both by fundamental noise from the background and contributions of instrumental noise. This motivates the development of end-to-end simulations to optimize these instruments.

Aims. The aim of this study is to enable a performance evaluation of NOTT and inform the design of such instruments with current and future infrastructures in mind, taking into account the different sources of noise and their correlation.

Methods. SCIFYsim is an end-to-end simulator for single-mode-filtered beam combiners, with an emphasis on nulling interferometers. We use it to compute a covariance matrix of the errors. We then use statistical detection tests based on likelihood ratios to compute compound detection limits for the instrument.

Results. With the current assumptions as to the performance of the wavefront correction systems, the errors are dominated by correlated instrumental errors down to stars of magnitude 6–7 in the L band, beyond which thermal background from the telescopes and relay system becomes dominant.

Conclusions. SCIFYsim is suited to anticipating some of the challenges of design, tuning, operation, and signal processing for integrated-optics beam combiners. The detection limits found for this early version of NOTT simulation with the unit telescopes are compatible with detections at contrasts up to 105 in the L band at separations of 5–80 mas around bright stars.
Disk Evolution Study Through Imaging of Nearby Young Stars (DESTINYS): Characterization of the young star T CrA and its circumstellar environment
Authors: Rigliaco E. , Gratton R. , Ceppi S. , Ginski C. , Hogerheijde M. , Benisty M. , Birnstiel T. , Dima M. , Facchini S. , Garufi A. , Bae J. , Langlois M. , Lodato G. , Mamajek E. , Manara C. F. , Ménard F. , Ribas A. , Zurlo A.
Published: January 2023

Context. In recent years, a new hot topic has emerged in the star and planet formation field, namely, the interaction between the circumstellar disk and its birth cloud. The birth environments of young stars leave strong imprints on the star itself and their surroundings. In this context, we present a detailed analysis of the rich circumstellar environment around the young Herbig Ae/Be star T CrA.

Aims. Our aim is to understand the nature of the stellar system and the extended circumstellar structures, as seen in scattered light images.

Methods. We conducted our analysis on the basis of a set of combined archival data and new adaptive optics images at a high contrast and high resolution.

Results. The scattered light images reveal the presence of a complex environment around T CrA, composed of a bright, forward-scattering rim of the disk's surface that is seen at very high inclinations, along with a dark lane of the disk midplane, bipolar outflows, and streamer features that are likely tracing infalling material from the surrounding birth cloud onto the disk. The analysis of the light curve suggests that the star is a binary with a period of 29.6 yr, confirming previous assertions based on spectro-astrometry. The comparison of the scattered light images with the ALMA continuum and 12CO (2–1) line emission shows that the disk is in Keplerian rotation and the northern side of the outflowing material is receding, while the southern side is approaching the observer. The overall system lies on different geometrical planes. The orbit of the binary star is perpendicular to the outflows and is seen edge on. The disk is itself seen edge-on, with a position angle of ~7°. The direction of the outflows seen in scattered light is in agreement with the direction of the more distant molecular hydrogen emission-line objects (MHOs) associated with the star. Modeling of the spectral energy distribution using a radiative transfer scheme is in good agreement with the proposed configuration, as well as the hydrodynamical simulation performed using a smoothed particle hydrodynamics code.

Conclusions. We find evidence of streamers of accreting material around T CrA. These streamers connect the filament, along which T CrA is forming along with the outer parts of the disk, suggesting that the strong misalignment between the inner and outer disk is due to a change in the direction of the angular momentum of the material accreting on the disk during the late phase of star formation. This impacts the accretion taking place in the components of the binary, favoring the growth of the primary with respect the secondary, in contrast to the case of aligned disks.
New members of the Lupus I cloud based on Gaia astrometry
Authors: Majidi F. Z. , Alcalá J. M. , Frasca A. , Desidera S. , Manara C. F. , Beccari G. , D’Orazi V. , Bayo A. , Biazzo K. , Claudi R. , Covino E. , Mantovan G. , Montalto M. , Nardiello D. , Piotto G. , Rigliaco E.
Published: January 2023

We characterize twelve young stellar objects (YSOs) located in the Lupus I region, spatially overlapping with the Upper Centaurus Lupus (UCL) sub-stellar association. The aim of this study is to understand whether the Lupus I cloud has more members than what has been claimed so far in the literature and gain a deeper insight into the global properties of the region. We selected our targets using the Gaia DR2 catalog based on their consistent kinematic properties with the Lupus I bona fide members. In our sample of twelve YSOs observed by X-shooter, we identified ten Lupus I members. We could not determine the membership status of two of our targets, namely Gaia DR2 6014269268967059840 and 2MASS J15361110-3444473 due to technical issues. We found out that four of our targets are accretors, among them, 2MASS J15551027-3455045, with a mass of ∼0.03 M⊙, is one of the least massive accretors in the Lupus complex identified to date. Several of our targets (including accretors) are formed in situ and off-cloud with respect to the main filaments of Lupus I; hence, our study may hint that there are diffused populations of M dwarfs around Lupus I main filaments. In this context, we would like to emphasize that our kinematic analysis with Gaia catalogs played a key role in identifying the new members of the Lupus I cloud.