bluuebunny/crossref_metadata_2025_split huggingface dataset:
Extracting the evolutionary backbone of scientific domains: The semantic main path network analysis approach based on citation context analysis
Authors: Jiang Xiaorui , Liu Junjun 
Published: March 2023

AbstractMain path analysis is a popular method for extracting the scientific backbone from the citation network of a research domain. Existing approaches ignored the semantic relationships between the citing and cited publications, resulting in several adverse issues, in terms of coherence of main paths and coverage of significant studies. This paper advocated the semantic main path network analysis approach to alleviate these issues based on citation function analysis. A wide variety of SciBERT‐based deep learning models were designed for identifying citation functions. Semantic citation networks were built by either including important citations, for example, extension, motivation, usage and similarity, or excluding incidental citations like background and future work. Semantic main path network was built by merging the top‐K main paths extracted from various time slices of semantic citation network. In addition, a three‐way framework was proposed for the quantitative evaluation of main path analysis results. Both qualitative and quantitative analysis on three research areas of computational linguistics demonstrated that, compared to semantics‐agnostic counterparts, different types of semantic main path networks provide complementary views of scientific knowledge flows. Combining them together, we obtained a more precise and comprehensive picture of domain evolution and uncover more coherent development pathways between scientific ideas.
Maternal dietary caffeine consumption and risk of birth defects in the National Birth Defects Prevention Study, 1997–2011
Authors: Williford Eva M. , Howley Meredith M. , Fisher Sarah C. , Conway Kristin M. , Romitti Paul A. , Reeder Matthew R. , Olshan Andrew F. , Reefhuis Jennita , Browne Marilyn L. ,   The National Birth Defects Prevention Study
Published: March 2023

AbstractBackgroundCaffeine consumption is common during pregnancy, but published associations with birth defects are mixed. We updated estimates of associations between prepregnancy caffeine consumption and 48 specific birth defects from the National Birth Defects Prevention Study (NBDPS) for deliveries from 1997 to 2011.MethodsNBDPS was a large population‐based case–control study conducted in 10 U.S. states. We categorized self‐reported total dietary caffeine consumption (mg/day) from coffee, tea, soda, and chocolate as: <10, 10 to <100, 100 to <200, 200 to <300, and ≥ 300. We used logistic regression to estimate adjusted odds ratios (aORs [95% confidence intervals]). Analyses for defects with ≥5 exposed case children were adjusted for maternal race/ethnicity, age at delivery, body mass index, early pregnancy cigarette smoking and alcohol use, and study site.ResultsOur analysis included 30,285 case and 11,502 control children, with mothers of 52% and 54%, respectively, reporting consuming <100 mg caffeine, and 11% of mothers of both cases and controls reported consuming ≥300 mg per day. Low (10 to <100 mg/day) levels of prepregnancy caffeine consumption were associated with statistically significant increases in aORs (1.2–1.7) for 10 defects. Associations with high (≥300 mg/day) levels of caffeine were generally weaker, except for craniosynostosis and aortic stenosis (aORs = 1.3 [1.1–1.6], 1.6 [1.1–2.3]).ConclusionsGiven the large number of estimates generated, some of the statistically significant results may be due to chance and thus the weakly increased aORs should be interpreted cautiously. This study supports previous observations suggesting lack of evidence for meaningful associations between caffeine consumption and the studied birth defects.
Lack of evidence for longitudinal dissociation of the atrioventricular conduction axis
Authors: De Almeida M. C. , Anderson R. H. , Sanchez‐Quintana D. , Macias Y. 
Published: March 2023

AbstractLongitudinal dissociation of the aggregated specialized cardiomyocytes within the non‐branching portion of atrioventricular conduction axis has proved a controversial topic for both morphologists and electrophysiologists. We have now used morphological methods, including three‐dimensional assessment, to revisit, in human, canine, and bovine hearts, the presence or absence of interconnections between the aggregated cardiomyocytes making up the non‐branching bundle. We analyzed three datasets from human and canine hearts, and two from bovine hearts, using longitudinal and orthogonal serial histological sections. In addition, we assessed three hearts using translucent India ink injected specimens, permitting assessment of the three‐dimensional arrangement of the cardiomyocytes. Using the longitudinal sections, we found numerous oblique interconnections between the groups of specialized cardiomyocytes. When assessing orthogonal sections, we noted marked variation in the grouping of the cardiomyocytes. We interpreted this finding as evidence of bifurcation and convergence of the groups seen in the longitudinal sections. The three‐dimensional assessment of the bovine material confirmed the presence of the numerous interconnections. The presence of multiple connections between the cardiomyocytes in the non‐branching bundle rules out the potential for longitudinal dissociation.
Chamomile Essential Oil: Chemical Constituents and Antitumor Activity in MDA‐MB‐231 Cells through PI3K/Akt/mTOR Signaling Pathway
Authors: An Zhonghua , Feng Xuelin , Sun Mengjia , Wang Yifan , Wang Hongbo , Gong Yanling 
Published: March 2023

AbstractChamomile essential oil (CEO) is extracted from chamomile and mainly used in aromatherapy. The chemical constituents and its antitumor activity on Triple‐negative breast cancer (TNBC) was explored in the present study. Gas chromatography‐mass spectrometry (GC/MS) was employed to analyze the chemical constituents of CEO. The cell viability, migration and invasion of TNBC cell MDA‐MB‐231 were measured using MTT, wound scratch and Transwell assay, respectively. The protein expression of PI3K/Akt/mTOR signaling pathway was determined by Western blot. CEO is rich in terpenoids (63.51 %), among which the identified terpenoids and their derivatives are mainly Caryophyllene (29.57 %), d‐Cadinene (12.81 %), Caryophyllene oxide (14.51 %), etc. Three concentration of CEO (1, 1.5, 2 μg/mL) significantly inhibited the proliferation, migration and invasion of MDA‐MB‐231 cells with a dose dependent manner. Moreover, the phosphorylation of PI3K, Akt and mTOR was inhibited by CEO. The results revealed that there was abundant terpenoids in the CEO which account for 63.51 %. CEO significantly inhibited the proliferation, migration and invasion of MDA‐MB‐231 cells, exhibiting antitumor effect on TNBC. The antitumor effect of CEO might attribute to its inhibition on PI3K/Akt/mTOR signaling pathway. However, further study should be conducted in more TNBC cell lines and animal models to provide further evidence for TNBC treatment by CEO.
Biomimetic S‐Adenosylmethionine Regeneration Starting from Multiple Byproducts Enables Biocatalytic Alkylation with Radical SAM Enzymes**
Authors: Gericke Lukas , Mhaindarkar Dipali , Karst Lukas C. , Jahn Sören , Kuge Marco , Mohr Michael K. F. , Gagsteiger Jana , Cornelissen Nicolas V. , Wen Xiaojin , Mordhorst Silja , Jessen Henning J. , Rentmeister Andrea , Seebeck Florian P. , Layer Gunhild , Loenarz Christoph , Andexer Jennifer N. 
Published: March 2023

AbstractS‐Adenosylmethionine (SAM) is an enzyme cofactor involved in methylation, aminopropyl transfer, and radical reactions. This versatility renders SAM‐dependent enzymes of great interest in biocatalysis. The usage of SAM analogues adds to this diversity. However, high cost and instability of the cofactor impedes the investigation and usage of these enzymes. While SAM regeneration protocols from the methyltransferase (MT) byproduct S‐adenosylhomocysteine are available, aminopropyl transferases and radical SAM enzymes are not covered. Here, we report a set of efficient one‐pot systems to supply or regenerate SAM and SAM analogues for all three enzyme classes. The systems’ flexibility is showcased by the transfer of an ethyl group with a cobalamin‐dependent radical SAM MT using S‐adenosylethionine as a cofactor. This shows the potential of SAM (analogue) supply and regeneration for the application of diverse chemistry, as well as for mechanistic studies using cofactor analogues.
Hydrosilylation of Carbonyl Compounds Catalyzed by Iridium(I) Complexes with (−)‐Menthol‐Based Phosphorus(III) Ligands
Authors: Stęsik Konrad , Franczyk Adrian , Czapik Agnieszka , Kownacki Ireneusz , Walkowiak Jędrzej 
Published: March 2023

AbstractIridium(I) complexes with phosphorus(III) ligands possessing naturally occurring menthol unit(s) [IrCl(COD){PPhn(OMenth)3‐n}], n=0,1,2 (C1‐C3) were synthesized and fully characterized by 1H, 13C, 31P NMR, FT‐IR spectroscopic techniques and elemental and X‐ray diffraction analysis. C1‐C3 were successfully applied in the hydrosilylation of several carbonyl compounds: aldehydes, ketones, esters, enals, and ynals. They exhibited very good activity and high tolerance to various functional groups providing silyl ethers with excellent yields. Subsequently, hydrolysis of the obtained product was carried out, furnishing us with diverse alcohols and aldehydes as attractive compounds in organic synthesis.
Electrocatalytic Water Oxidation by Hydrolytically Stable Metal‐Organic Frameworks at Both Neutral and Alkaline Medium: Inverse Relation of Dimensionality with Catalytic Activity
Authors: Kumar Dubey Soumen , Behera Snehanjali , Patra Maxcimilan , Mondal Biswajit , Bhattacharjee Subham , Saha Rajat 
Published: March 2023

AbstractCatalyst development for water splitting to afford hydrogen as a green source of energy is one of the major areas of research in the pursuit of sustainable energy technology solution. Herein, the electrocatalytic water oxidation behaviour of two different Co‐pdc (H2pdc=pyridine‐2,5‐dicarboxylic acid) based metal‐organic frameworks (MOFs) of different dimensionalities (2D and 1D) is reported. 2D‐MOF {[Co(pdc)(H2O)2] ⋅ H2O}n acts as the mother which transforms into daughter 1D‐MOF {[Co(pdc)(H2O)2] ⋅ 7H2O}n via consecutive dehydration and rehydration. Within 2D‐MOF, the Co2+ shows six coordinated octahedral geometry with two coordinated water molecules and for the 1D‐MOF, Co2+ shows five coordinated square pyramidal geometry having two coordinated water molecules and one open metal site. Both the MOFs show excellent stability over a pH range of 3 to 11 even after 24 hours and show OER activity from neutral to alkaline medium. The MOFs retain their crystalline structure even after OER at neutral pH but eventually gets decomposed; but they are converted into their (oxy)hydroxides at pH 14. Interestingly, 1D MOF shows superior activity in both neutral and alkaline medium over the 2D framework for OER due to presence of open metal sites, better electrical conductivity and larger electrochemically active surface area.
Strategies for reducing inputs and emissions in turfgrass systems
Authors: Braun Ross C. , Straw Chase M. , Soldat Douglas J. , Bekken Michael A. H. , Patton Aaron J. , Lonsdorf Eric V. , Horgan Brian P. 
Published: March 2023

AbstractTurfgrass systems (e.g., home lawns, commercial properties, golf courses, athletic fields, roadsides, sod farms, parks, and other green spaces) in the US employ 820,000 individuals, have a $60 billion economic impact, and cover nearly 2% (∼63,250 mi2; 163,800 km2) of the US. Turfgrass systems provide ecosystem services such as carbon sequestration, oxygen production, water and air purification, improved soil health, pollinator habitat, and evaporative cooling. Associated disservices with turfgrass systems include nutrient and pesticide leaching, greenhouse gas and particulate matter emissions, low plant diversity, and site‐specific, high water consumption. The goal of recent research efforts is to maximize the services and minimize the disservices by focusing on sustainability initiatives to develop best management practices such reducing management inputs (e.g., mowing, irrigation, fertilizer, and pesticides), incorporating pollinator‐friendly spaces, adopting new technologies, quantitatively assessing ecosystem services provided, minimizing energy inputs and greenhouse gas emissions, and increasing carbon sequestration. This part‐review, part‐management guide summarizes these efforts, identifies knowledge gaps, and outlines how turfgrass systems can adapt to and mitigate climate change.
High Rates of Quinone‐Alkyne Cycloaddition Reactions are Dictated by Entropic Factors
Authors: Damen Johannes A. M. , Escorihuela Jorge , Zuilhof Han , van Delft Floris L. , Albada Bauke 
Published: March 2023

AbstractReaction rates of strained cycloalkynes and cycloalkenes with 1,2‐quinone were quantified by stopped flow UV‐Vis spectroscopy and computational analysis. We found that the strained alkyne BCN−OH 3 (k2 1824 M−1 s−1) reacts >150 times faster than the strained alkene TCO‐OH 5 (k2 11.56 M−1 s−1), and that derivatization with a carbamate can lead to a reduction of the rate constant with almost half. Also, the 8‐membered strained alkyne BCN−OH 3 reacts 16 times faster than the more strained 7‐membered THS 2 (k2 110.6 M−1 s−1). Using the linearized Eyring equation we determined the thermodynamic activation parameters of these two strained alkynes, revealing that the SPOCQ reaction of quinone 1 with THS 2 is associated with ΔH≠ of 0.80 kcal/mol, ΔS≠=−46.8 cal/K⋅mol, and ΔG≠=14.8 kcal/mol (at 25 °C), whereas the same reaction with BCN−OH 3 is associated with, ΔH≠=2.25 kcal/mol, ΔS≠=−36.3 cal/K⋅mol, and ΔG≠=13.1 kcal/mol (at 25 °C). Computational analysis supported the values obtained by the stopped‐flow measurements, with calculated ΔG≠ of 15.6 kcal/mol (in H2O) for the SPOCQ reaction with THS 2, and with ΔG≠ of 14.7 kcal/mol (in H2O) for the SPOCQ reaction with BCN−OH 3. With these empirically determined thermodynamic parameters, we set an important step towards a more fundamental understanding of this set of rapid click reactions.
Tetraphenylethene‐Based cis/trans Isomers for Targeted Fluorescence Sensing and Biomedical Applications
Authors: Huang Yanyan , Zhang Guanxin , Zhao Rui , Zhang Deqing 
Published: March 2023

AbstractMolecular probes which can be modulated, functionalized and used to visualize the processes are highly desirable for understanding and manipulating biological systems. Geometric cis and trans isomers of tetraphenylethene (TPE) emerge as attractive candidates to fulfill these tasks thanks to the unique aggregation‐induced emission properties, tailorable structures, and responsiveness to external stimuli. This minireview focuses on cis and trans isomers of TPE derivatives that are functionalized with molecular recognition units for fluorescence detection, bioimaging and cancer therapy. The effects of molecular geometry on fluorescence property, target binding ability and biological activity are summarized. The feasibility to in vitro and in vivo switch molecular configuration and thus bio‐activity is discussed. Finally, the future development and challenges are discussed in view of TPE‐based stereoisomers for targeted sensing and imaging‐guided modulation of biological processes.
Analysis of the fecal metagenome in long‐term survivors of pancreas cancer
Authors: Kharofa Jordan , Haslam David , Wilkinson Rachael , Weiss Allison , Patel Sameer , Wang Kyle , Esslinger Hope , Olowokure Olugbenga , Sohal Davendra , Wilson Greg , Ahmad Syed , Apewokin Senu 
Published: March 2023

AbstractBackgroundThe 5‐year overall survival of pancreas adenocarcinoma (PCa) remains less than 10%. Clinical and tumor genomic characteristics have not differentiated PCa long‐term survivors (LTSs) from unselected patients. Preclinical studies using fecal transplant experiments from LTSs of PCa have revealed delayed tumor growth through unknown mechanisms involving the fecal microbiota. However, features of the fecal microbiome in patients with long‐term survival are not well described.MethodsIn this cross‐sectional study, comprehensive shotgun metagenomics was performed on stool from PCa patients with long‐term survival (n = 16). LTS was defined as >4 years from pancreatectomy and all therapy without recurrence. LTSs were compared to control patients with PCa who completed pancreatectomy and chemotherapy (n = 8). Stool was sequenced using an Illumina NextSeq500. Statistical analyses were performed in R with MicrobiomeSeq and Phyloseq for comparison of LTSs and controls.ResultsAll patients underwent pancreatectomy and chemotherapy before sample donation. The median time from pancreatectomy of 6 years (4–14 years) for LTSs without evidence of disease compared to a median disease‐free survival of 1.8 years from pancreatectomy in the control group. No differences were observed in overall microbial diversity for LTSs and controls using Shannon/Simpson indexes. Significant enrichment of species relative abundance was observed in LTSs for the Ruminococacceae family specifically Faecalibacterium prausnitzii species as well as Akkermansia muciniphila species.ConclusionsStool from patients cured from PCa has more relative abundance of Faecalibacterium prausnitzii and Akkermansia muciniphila. Additional studies are needed to explore potential mechanisms by which the fecal microbiota may influence survival in PCa.Plain Language Summary

Although pancreatic cancer treatments have improved, the number of long‐term survivors has remained stagnant with a 5‐year overall survival estimate of 9%.
Emerging evidence suggests that microbes within the gastrointestinal tract can influence cancer response through activation of the immune system.
In this study, we profiled the stool microbiome in long‐term survivors of pancreas cancer and controls.
Several enriched species previously associated with enhanced tumor immune response were observed including Faecalibacterium prausnitzii and Akkermansia muciniphila.
These findings warrant additional study assessing mechanisms by which the fecal microbiota may enhance pancreatic cancer immune response.
Phosphorous/Fluorine Co‐doped Biomass‐derived Carbon for Enhanced Sodium‐ion and Lithium‐ion Storage
Authors: Dutta Dimple P. , Modak Brindaban , Ravuri Balaji Rao 
Published: March 2023

AbstractCarbon from inexpensive biomass‐based precursors have shown promise as anode materials for application in sodium/lithium ion battery technology. However, their practical implementation is marred by unreliable cycling stability and unimpressive initial coulombic efficiency. The electrochemical properties of such biomass derived carbon can be improved considerably by material engineering via suitable heteroatom doping. In this work, the effect of phosphorous and fluorine doping on naseberry seed derived carbon has been explored. The doping led to an increase in the specific capacity and rate performance of the modified bio‐based carbon in comparison to non‐doped counterparts. The P/F incorporated carbon delivers reversible capacity of 812 mAh g−1 and 409 mAh g−1 at 0.1 A g−1 when tested as anode in lithium/sodium ion coin cell. The long term cycling of the material at a higher current rate of 1.0 A g−1 is also impressive. The reason for this enhanced electrochemical performance has been analysed through electrochemical impedance spectroscopy and post mortem electron microscopic studies. The increase in interlayer spacing, cell volume and ionic conductivity in the P/F incorporated carbon which leads to an improvement in the electrochemical properties has also been corroborated via DFT analysis.
Single‐ and Multiple‐dose Safety, Tolerability, Pharmacokinetics, and Pharmacodynamics of ASP1128, a Novel Peroxisome Proliferator‐activated Receptor δ Modulator, in Healthy Participants
Authors: Taniuchi Yuta , van Till J. W. Olivier , Wojtkowski Tomasz , Toyoshima Junko , Koibuchi Akira , Sargent Briana , Han David 
Published: March 2023

AbstractPeroxisome proliferator‐activated receptor δ (PPARδ) plays a central role in modulating mitochondrial function in ischemia‐reperfusion injury. ASP1128, a potent and selective modulator of PPARδ, is currently under investigation for treating acute kidney injury. This randomized, first‐in‐human study assessed the safety, tolerability, pharmacokinetics, and pharmacodynamics of ASP1128 administered intravenously in healthy participants. Forty‐nine participants received a single dose of ASP1128 0.3–10 mg (n = 37) or placebo (n = 12) and 53 received daily (7 days) doses of ASP1128 3–100 mg (n = 39) or placebo (n = 14), including a cohort aged ≥65 years (ASP1128 100 mg, n = 3; placebo, n = 2). Treatment‐emergent adverse events occurred in 37.8%, 59.0%, and 33.3%–35.7% of participants in the single ASP1128, multiple ASP1128, and placebo groups, respectively. All were mild in severity, and the frequency of adverse events did not appear to be dose‐related. One participant (multiple ASP1128 3 mg group) withdrew with an infusion site erythema, possibly related to study drug. Exposure was roughly dose‐proportional, and elimination was generally consistent across doses (mean t½ 14.6–17.4 hours in the 10, 30, and 100 mg groups on day 7). There was little accumulation in plasma following multiple dosing; steady state was reached after ∼4 days. ASP1128 treatment led to rapid and dose‐related upregulation of six fatty acid oxidation‐related PPARδ target genes at ≥10 mg, which lasted >24 hours postdose. In conclusion, single and multiple intravenous doses of ASP1128 were generally well tolerated, with dose‐dependent pharmacokinetics and target gene engagement in healthy participants.
The Chemistry of P=N−P=X (X=S, O, NR) Linkages for the Synthesis of Dendritic Structures
Authors: Maraval Valérie , Laurent Régis , Caminade Anne‐Marie 
Published: March 2023

AbstractThe Staudinger reaction between a phosphine and an azide, applied to phosphorus azides, has been used for the synthesis of a large variety of dendritic structures, incorporating P=N−P=X moieties (X = mainly S, but also O and N−R). Conjugation of the P=N bond with the P=X bond greatly stabilizes the P=N bond. Highly branched structures such as dendrons, dendrimers, Janus dendrimers, layered dendrimers, surface‐block dendrimers, and diverse other dendritic structures incorporating such linkage have been elaborated. Accelerated methods of synthesis of dendrimers are also based on the Staudinger reaction. A versatile reactivity was observed exclusively on the sulfur atom of P=N−P=S linkages, such as alkylation or complexation. Alkylation on S induces a weakening of the strength of the P=S bond, which can be easily cleaved to generate phosphines able to react in Staudinger reactions inside the structure of dendrimers, thus affording highly sophisticated dendritic structures.