bluuebunny/crossref_metadata_2025_split huggingface dataset:
Deep learning‐based hybrid reconstruction algorithm for fibre instance segmentation from 3D x‐ray tomographic images
Authors: Fang Mengqi , Sibellas Aurélien , Drummond James , Cao Yankai , Phillion Andre , Martinez Mark , Pediredla Vijay Kumar , Gopaluni Bhushan 
Published: May 2023

Abstract3D x‐ray tomography is a powerful scanning technique used for generating images of complex fibre structures. A novel machine‐learning algorithm to identify and separate individual fibres using 3D images is proposed in this article. The developed four‐step hybrid 3D fibre segmentation algorithm involves deep‐learning aided semantic segmentation that slices 3D images to create 2D images for fibre extraction, elliptical contour estimation combined with the marker‐controlled watershed algorithm for separating fibres from the background area, identifying individual fibres through 3D reconstruction, and, lastly, the 3D object refining approach based on outlier object detection and replacement. The proposed methodology is implemented on a real‐time sample of nylon fibre bundle under compression and its 3D x‐ray image volume to validate the performance. The results show its superior performance compared to off‐the‐shelf image processing algorithms in terms of precision, that is, with a validation accuracy greater than 90%, and efficiency, that is, preventing the need for a huge data set and reducing the complexity.
Modelling and parameter estimation of trans‐β‐farnesene coordination polymerization
Authors: de Sá Marília Caroline C. , Córdova Teresa , Melo Príamo A. , de León Ramón Díaz , Pinto José Carlos 
Published: May 2023

Abstracttrans‐β‐Farnesene is a bio‐derived terpene monomer that can polymerize, generating polymers with properties that can be similar to the properties of conventional petroleum‐derived polymers. For this reason, in the present study, several coordination polymerizations of trans‐β‐farnesene are carried out using the Ziegler–Natta catalyst system composed by neodymium versatate (), diisobutylaluminum hidride (DIBAH), and dimethyldichlorosilane (DMDCS) in order to evaluate the influence of key operation variables on the control of average molar masses and monomer conversion. A phenomenological model is proposed to describe the coordination polymerization of trans‐β‐farnesene, and the kinetic parameters required to simulate the reactions are estimated. The initial concentration of DIBAH used as a chain transfer agent (CTA) is calculated by a data reconciliation procedure since this very active compound can participate in undesired side reactions. It is shown that the initial monomer, DIBAH, and concentrations exert strong influences on the monomer conversion and average molar masses of (poly)farnese while the temperature effect is not so pronounced. The proposed kinetic mechanism was able to predict well the experimental data collected during the reactions, with the successful reconciliation of CTA concentrations and estimation of model parameters.
Study on the adsorption–desorption behaviours of La3+, Sm3+, and Y3+ by HEHEHP extraction resin in chloride medium
Authors: Guo Haoran , Yang Youming , Niu Fei , Zhang Qian , Lan Qiaofa , Liu Donghui , Zhang Xiaolin 
Published: May 2023

AbstractThe adsorption–desorption behaviours of La3+, Sm3+, and Y3+ on 2‐ethylhexylphosphonic acid mono‐2‐ethyl hexyl ester (HEHEHP) extraction resin were investigated in a chloride medium. The effects of reaction time, pH, hydrochloric acid concentration, flow rate, and adsorption mechanism were studied in detail using static and dynamic experimental methods. The results show that La3+ is the first to reach adsorption equilibrium, followed by Sm3+ and Y3+; the highest adsorption capacities of La3+, Sm3+, and Y3+ are obtained at solution pH of 4 and in the order of Y3+ > Sm3+ > La3+. La3+, Sm3+, and Y3+ can be eluted by 0.3, 0.5, and 3 mol/L hydrochloric acid, respectively, indicating that La3+ elutes most easily, and Y3+ is difficult. Moreover, the flow rate has little effect on the peak of rare earth desorption. The adsorption process is chemisorption; the slope method indicates that for each mol Sm3+ or Y3+ ion adsorbed, 3 mol H+ ions are simultaneously released, but two for La3+ under the given pH conditions. It is expected to provide theoretical and technical support for preparation of ultra‐high purity rare earth by HEHEHP extraction resin.
Complexity‐to‐Diversity and Pseudo‐Natural Product Strategies as Powerful Platforms for Deciphering Next‐Generation Therapeutics
Authors: Alkubaisi Bilal O. , Shahin Afnan I. , Zenati Ruba A. , Ravi Anil , Alchami Riema , Alkalla Mohammad , Khaled Rawan , El‐Gamal Mohammed I. , Al‐Tel Taleb H. 
Published: May 2023

AbstractStereochemical and skeletal complexity are particularly important vis‐à‐vis the cross‐talks between a small molecule and a complementary active site of a biological target. This intricate harmony is known to increase selectivity, reduce toxicity, and increase the success rate in clinical trials. Therefore, the development of novel strategies for establishing underrepresented chemical space that is rich in stereochemical and skeletal diversity is an important milestone in a drug discovery campaign. In this review, we discuss the evolution of interdisciplinary synthetic methodologies utilized in chemical biology and drug discovery that has revolutionized the discovery of first‐in‐class molecules over the last decade with an emphasis on complexity‐to‐diversity and pseudo‐natural product strategies as a remarkable toolbox for deciphering next‐generation therapeutics. We also report how these approaches dramatically revolutionized the discovery of novel chemical probes that target underrepresented biological space. We also highlight selected applications and discuss key opportunities offered by these tools and important synthetic strategies used for the construction of chemical spaces that are rich in skeletal and stereochemical diversity. We also provide insight on how the integration of these protocols has the promise of changing the drug discovery landscape.
Synthesis of Thieno[3,2‐d]pyrimidine Derivatives through Sequential SNAr and Suzuki Reactions as Selective h‐NTPDase Inhibitors
Authors: Zaman Gohar , Ullah Saif , Uzair Muhammad , Batool Sania , Ahmad Haseen , Ullah Farman , Pelletier Julia , Sévigny Jean , Iqbal Jamshed , Hassan Abbas 
Published: May 2023

AbstractIn this study various of thieno[3,2‐d]pyrimidine derivatives have been synthesized by treating different secondary amines through aromatic nucleophilic substitution reaction (SNAr) followed by Suzuki reaction with aryl and heteroaryl boronic acids. A bis‐Suzuki coupling was also performed to generate bis‐aryl thienopyrimidine derivatives. The synthesized compounds were screened for the hydrolytic activity of h‐NTPdase1, h‐NTPdase2, h‐NTPdase3, and h‐NTPdase8. The compound N‐benzyl‐N‐methyl‐7‐phenylthieno[3,2‐d]pyrimidin‐4‐amine 3 j selectively inhibits the activity of h‐NTPdase1 with IC50 value of 0.62±0.02 μM whereas, the compound 4 d was the most potent inhibitor of h‐NTPdase2 with sub‐micromolar IC50 value of 0.33±0.09 μM. Similarly, compounds 4 c and 3 b were found to be selective inhibitors for isozymes h‐NTPdase3 (IC50=0.13±0.06 μM) and h‐NTPdase8 (IC50=0.32±0.10 μM), respectively. The molecular docking study of the compounds with the highest potency and selectivity revealed the interactions with the important amino acid residues.
Evaluation of the Cytochrome P450 3A and P‐glycoprotein Drug‐Drug Interaction Potential of Futibatinib
Authors: Yamamiya Ikuo , Hunt Allen , Takenaka Toru , Sonnichsen Daryl , Mina Mark , He Yaohua , Benhadji Karim A. , Gao Ling 
Published: May 2023

AbstractFutibatinib, a selective, irreversible fibroblast growth factor receptor 1–4 inhibitor, is being investigated for tumors harboring FGFR aberrations and was recently approved for the treatment of FGFR2 fusion/rearrangement‐positive intrahepatic cholangiocarcinoma. In vitro studies identified cytochrome P450 (CYP) 3A as the major CYP isoform in futibatinib metabolism and indicated that futibatinib is likely a P‐glycoprotein (P‐gp) substrate and inhibitor. Futibatinib also showed time‐dependent inhibition of CYP3A in vitro. Phase I studies investigated the drug‐drug interactions of futibatinib with itraconazole (a dual P‐gp and strong CYP3A inhibitor), rifampin (a dual P‐gp and strong CYP3A inducer), or midazolam (a sensitive CYP3A substrate) in healthy adult participants. Compared with futibatinib alone, coadministration of futibatinib with itraconazole increased futibatinib mean peak plasma concentration and area under the plasma concentration–time curve by 51% and 41%, respectively, and coadministration of futibatinib with rifampin lowered futibatinib mean peak plasma concentration and area under the plasma concentration–time curve by 53% and 64%, respectively. Coadministration of midazolam with futibatinib had no effect on midazolam pharmacokinetics compared with midazolam administered alone. These findings suggest that concomitant use of dual P‐gp and strong CYP3A inhibitors/inducers with futibatinib should be avoided, but futibatinib can be concomitantly administered with other drugs metabolized by CYP3A. Drug‐drug interaction studies with P‐gp–specific substrates and inhibitors are planned.
Prediction of Nucleophilicity and Electrophilicity Based on a Machine‐Learning Approach
Authors: Liu Yidi , Yang Qi , Cheng Junjie , Zhang Long , Luo Sanzhong , Cheng Jin‐Pei 
Published: May 2023

AbstractNucleophilicity and electrophilicity dictate the reactivity of polar organic reactions. In the past decades, Mayr et al. established a quantitative scale for nucleophilicity (N) and electrophilicity (E), which proved to be a useful tool for the rationalization of chemical reactivity. In this study, a holistic prediction model was developed through a machine‐learning approach. rSPOC, an ensemble molecular representation with structural, physicochemical and solvent features, was developed for this purpose. With 1115 nucleophiles, 285 electrophiles, and 22 solvents, the dataset is currently the largest one for reactivity prediction. The rSPOC model trained with the Extra Trees algorithm showed high accuracy in predicting Mayr's N and E parameters with R2 of 0.92 and 0.93, MAE of 1.45 and 1.45, respectively. Furthermore, the practical applications of the model, for instance, nucleophilicity prediction of NADH, NADPH and a series of enamines showed potential in predicting molecules with unknown reactivity within seconds. An online prediction platform (http://isyn.luoszgroup.com/) was constructed based on the current model, which is available free to the scientific community.
The clinical potential of optogenetic interrogation of pathogenesis
Authors: Gao Tianyu Terry , Oh Teak‐Jung , Mehta Kritika , Huang Yu‐En Andrew , Camp Tyler , Fan Huaxun , Han Jeong Won , Barnes Collin Michael , Zhang Kai 
Published: May 2023

AbstractBackgroundOpsin‐based optogenetics has emerged as a powerful biomedical tool using light to control protein conformation. Such capacity has been initially demonstrated to control ion flow across the cell membrane, enabling precise control of action potential in excitable cells such as neurons or muscle cells. Further advancement in optogenetics incorporates a greater variety of photoactivatable proteins and results in flexible control of biological processes, such as gene expression and signal transduction, with commonly employed light sources such as LEDs or lasers in optical microscopy. Blessed by the precise genetic targeting specificity and superior spatiotemporal resolution, optogenetics offers new biological insights into physiological and pathological mechanisms underlying health and diseases. Recently, its clinical potential has started to be capitalized, particularly for blindness treatment, due to the convenient light delivery into the eye.Aims and methodsThis work summarizes the progress of current clinical trials and provides a brief overview of basic structures and photophysics of commonly used photoactivable proteins. We highlight recent achievements such as optogenetic control of the chimeric antigen receptor, CRISPR‐Cas system, gene expression, and organelle dynamics. We discuss conceptual innovation and technical challenges faced by current optogenetic research.ConclusionIn doing so, we provide a framework that showcases ever‐growing applications of optogenetics in biomedical research and may inform novel precise medicine strategies based on this enabling technology.
Dihydroartemisinin inhibited stem cell‐like properties and enhanced oxaliplatin sensitivity of colorectal cancer via AKT/mTOR signaling
Authors: Wang Yujun , Yang Zhirong , Zhu Wanglong , Chen Yuzhuo , He Xingqiang , Li Jiaofeng , Han Zhengyu , Yang Yuhan , Liu Wei , Zhang Kun 
Published: May 2023

AbstractColorectal cancer (CRC) is a common tumor with high morbidity and mortality. The use of oxaliplatin (L‐OHP) as a first‐line treatment for CRC is limited due to chemoresistance. Growing evidence have revealed that the existence of cancer stem‐like cells (CSLCs) is one of the important reasons for drug resistance and recurrence of cancers. Dihydroartemisinin (DHA), a derivative of artemisinin, has showed anticancer effects on a variety of malignancies, in addition to its antimalarial effects. However, the effect and mechanism of DHA on CSLCs and chemosensitivity in CRC cells remains unclear. In this study, we found that DHA inhibited cell viability in HCT116 and SW620 cells. Moreover, DHA decreased cell clonogenicity, and improved L‐OHP sensitivity. Furthermore, DHA treatment attenuated tumor sphere formation, and the expressions of stem cell surface marker (CD133 and CD44) and stemness‐associated transcription factor (Nanog, c‐Myc, and OCT4). Mechanistically, the present findings showed that DHA inhibited of AKT/mTOR signaling pathway. The activation of AKT/mTOR signaling reversed DHA‐decreased cell viability, clonogenicity, L‐OHP resistance, tumor sphere, and expressions of stemness‐associated protein in CRC. The inhibitory effect of DHA on tumorigenicity of CRC cells has also been demonstrated in BALB/c nude mice. In conclusion, this study revealed that DHA inhibited CSLCs properties in CRC via AKT/mTOR signaling, suggesting that DHA may be used as a potential therapeutic agent for CRC.
The increase in medical admissions with anorexia nervosa during the COVID‐19 pandemic in Western Australia
Authors: Wong Jessica W. S. , Skeldon Sarah , Gill Emma , Taylor Ellen , Billingham Wesley , Stevenson Paul Geoffrey , Shipton Nicolene , Ferguson Grant , Collins Rachel , Newton Rachel , Newell Amanda , Martin Andrew C. 
Published: May 2023

AbstractObjectiveA comparative study to describe the increase in medical admissions of children and adolescents with anorexia nervosa (AN) in Western Australia in 2019 (pre‐pandemic) and 2020 (peri‐pandemic).MethodPatient demographics, physiological parameters, length of stay, time to assessment by the Eating Disorder Service (EDS), and commencement of specialist eating disorder (ED) outpatient treatment was collected for adolescents admitted with AN between 1st January 2019 and 31st December 2020.ResultsThe number of admissions doubled from 126 in 2019 to 268 in 2020. The number of children admitted increased by 52%. The median length of hospital stay was shorter in 2020 (12 vs. 17 days; p < .001), but the 28‐day readmission rate was greater (39.9% vs. 22.2%; p < .001). At the time of hospital discharge in 2020, only 60% of patients were able to step‐down into specialist ED outpatient treatment, compared to 93% in 2019. The mean number of admissions per child before completing EDS assessment increased significantly in 2020 (2.75 vs. 0, p < .001).DiscussionShorter inpatient stays and delays in the commencement of specialist ED outpatient treatment may have contributed to the increased readmission rate seen in 2020.Public significanceThis research is important as it explores the reasons for increased medical presentations and admissions of youth with AN during the COVID‐19 pandemic in Western Australia. We hope that our lessons learned may be helpful to others trying to balance similar clinical workloads.
Microplastic burden in invasive signal crayfish (Pacifastacus leniusculus) increases along a stream urbanization gradient
Authors: Dent Abigail R. , Chadwick Daniel D. A. , Eagle Lawrence J. B. , Gould Alex N. , Harwood Matthew , Sayer Carl D. , Rose Neil L. 
Published: May 2023

AbstractMicroplastics are a globally pervasive pollutant with the potential to directly impact species and accumulate in ecosystems. However, there remains a relative paucity of research addressing their accumulation in freshwater ecosystems and a near absence of work in crayfish, despite their high ecological and economic importance. This study investigated the presence of microplastics in the invasive signal crayfish Pacifastacus leniusculus along a stream urbanization gradient. The results demonstrate a ubiquitous presence of microplastics in crayfish digestive tracts at all sites and provide the first evidence of microplastic accumulation in tail tissue. Evidence of a positive linear trend was demonstrated between microplastic concentration in crayfish and upstream urban area size in generalized linear models. Evidence for a positive effect of the upstream urban area and a negative effect of crayfish length on microplastic concentrations in crayfish was demonstrated in multiple generalized linear regression models. Our results extend the current understanding of microplastics presence in freshwater ecosystems and demonstrate their presence in crayfish in the wild for the first time.
Species asynchrony stabilizes productivity over 20 years in Northeast China
Authors: Jia Bo , He Jingyuan , Wang Xinjie 
Published: May 2023

AbstractThe stability of forest productivity can reflect the functioning of forest ecosystems. It is a crucial topic to understand the relationship between biodiversity and ecosystem functions in ecology. Although previous studies have made great progress in understanding the effects of diversity, species asynchrony, and other factors on community biomass and productivity, few studies have explored how these factors affect the temporal stability of productivity. In this study, we hypothesized that diversity, species asynchrony, and topography would directly or indirectly impact the temporal stability of productivity. To test this hypothesis, we used a multiple regression model and a piecewise structural equation model based on the inventory data over 20 years (5‐year intervals) from 1992 to 2012 at Jingouling Forest Farm in Northeast China. Our results showed that species asynchrony was the main driving factor affecting the temporal stability of productivity. Structural diversity significantly decreased community stability, while species diversity had a nonsignificant effect on it. We found the combination of a multiple regression model and a piecewise structural equation model is an effective method for evaluating the factors that influence community stability. The effect of species asynchrony is crucial for understanding the ecological mechanisms underlying the diversity–stability relationship in mixed forests.
Barriers and enablers of environmental policy coherence: A systematic review
Authors: Fopa Tchinda Alain , Talbot David 
Published: May 2023

AbstractThe literature on policy coherence (PC) examines contradictions and synergies between policies. This systematic review explores factors that facilitate or disrupt PC in the environmental field. Based on 70 empirical studies, this research describes the evolution of the PC literature, identifying eight critical PC factors. Furthermore, this study identifies six avenues for future research on PC, such as methodological innovations and including stakeholders in the policy development process. In addition to drawing on contradictions and synergies for PC analysis, this study suggests an integrative framework of barriers and enablers. These findings have implications for policymakers and program managers in the environmental field.
Basicity‐Controlled [3+2] Cyclization of 3‐Hydroxyquinolin‐ones and β‐Chlorinated Nitrostyrenes
Authors: Wu Jiamin , Hu Fei , Bai Guishun , Yang Yang , Bonne Damien , Rodriguez Jean , Yue Congyong , Wang Hong , Bao Xiaoze 
Published: May 2023

AbstractThe construction of novel skeletons through the recombination of natural products ring systems is attractive. Herein, a basicity‐controlled synthesis of (dihydro)furo[2,3‐c]quinolin‐4(5H)‐one derivatives through (3+2) cyclization between 3‐hydroxyquinolin‐2‐ones and β‐chlorinated nitrostyrenes was developed. In addition, preliminary study gave the chiral dihydrofuro[2,3‐c]quinolin‐4(5H)‐one derivatives with up to 83 % ee.
Pushing too far? Negotiations of non‐compliance and resistance to the COVID‐19 cabin ban in Norway
Authors: Moss Sigrun Marie , Sandbakken Ella Marie 
Published: May 2023

AbstractMany societies experienced pushback against governmental COVID‐19 measures. When the Norwegian government made it a punishable offence to spend the night at privately owned cabins in the first phase of the pandemic, this resulted in discussions and pushback. Basing our research on in‐depth interviews at three different time points during the pandemic, we ask how Norwegian participants discursively explain why the cabin ban was the first measure that evoked pushback in Norway. We conducted a Foucauldian discourse analysis (FDA), exploring three overarching explanations provided by the interview participants. In the first explanation, the pushback was presented as a result of the cultural importance of the cabin. Here, participants partly legitimised the pushback when constructing it as a predictable reaction in this cultural context. In the second explanation, participants constructed the pushback as an expression of ‘cabin people’ in particular and Norwegians in general being ‘too privileged’ to acknowledge the measure's necessity. Here, the pushback was constructed as an illegitimate reaction. In the third explanation, participants explained the pushback as a result of people seeing the measure as meaningless. This interpretation constructs pushback as a legitimate response to an illogical measure. These different constructions illustrate the complexity of compliance with COVID measures, where people negotiated individual freedom against solidarity, and compliance against critical thinking. The article contributes to the understanding of people's negotiations of resistance and pushback against restrictive measures. We argue that social psychological theory and research need to acknowledge the temporal, contextual and ideological specificities in understanding compliance and non‐compliance.