bluuebunny/crossref_metadata_2025_split huggingface dataset:
Practical Chemoselective Acylation: Organocatalytic Chemodivergent Esterification and Amidation of Amino Alcohols with N‐Carbonylimidazoles
Authors: Nelson Hope , Richard William , Brown Hailee , Medlin Abigail , Light Christina , Heller Stephen T. 
Published: August 2021

AbstractChemoselective transformations are a cornerstone of efficient organic synthesis; however, achieving this goal for even simple transformations, such as acylation reactions, is often a challenge. We report that N‐carbonylimidazoles enable catalytic chemodivergent aniline or alcohol acylation in the presence of pyridinium ions or 1,8‐diazabicyclo[5.4.0]undec‐7‐ene (DBU), respectively. Both acylation reactions display high and broad chemoselectivity for the target group. Unprecedented levels of chemoselectivity were observed in the DBU‐catalyzed esterification: A single esterification product was obtained from a molecule containing primary aniline, alcohol, phenol, secondary amide, and N−H indole groups. These acylation reactions are highly practical as they involve only readily available, inexpensive, and relatively safe reagents; can be performed on a multigram scale; and can be used on carboxylic acids directly by in situ formation of the acylimidazole electrophile.
Steric Hindrance Drives the Boron‐Initiated Polymerization of Dienyltriphenylarsonium Ylides to Photoluminescent C5‐Polymers
Authors: Wang Xin , Hadjichristidis Nikos 
Published: August 2021

AbstractA series of alkyl‐subsituted dienyltriphenylarsonium ylides were synthesized and used as monomers in borane‐initiated polymerization to obtain practically pure C5‐polymers (main‐chain grows by five carbon atoms at a time). The impact of triethylborane (Et3B), tributylborane (Bu3B), tri‐sec‐butylborane (s‐Bu3B), and triphenylborane (Ph3B) initiators on C5 polymerization was studied. Based on NMR and SEC results, we have shown that all synthesized polymers have C5 units with a unique unsaturated backbone where two conjugated double bonds are separated by one methylene. The synthesized C5‐polymers possess predictable molecular weights and narrow molecular weight distributions (Mn,NMR=2.8 −11.9 kg mol−1, Ð=1.04–1.24). It has been found that increasing the steric hindrance of both the monomer and the initiator can facilitate the formation of more C5 repeating units, thus driving the polymerization to almost pure C5‐polymer (up to 95.8 %). The polymerization mechanism was studied by 11B NMR and confirmed by DFT calculations. The synthesized C5‐polymers are amorphous with tunable glass‐transition temperatures by adjusting the substituents of monomers, ranging from +30.1 °C to −38.4 °C. Furthermore, they possess blue photoluminescence that changes to yellow illuminating the polymers for 5 days with UV radiation of 365 nm (IIE, isomerization induced emission).
In Situ Phase Separation into Coupled Interfaces for Promoting CO2 Electroreduction to Formate over a Wide Potential Window
Authors: Wang Wenbin , Wang Zhitong , Yang Ruoou , Duan Junyuan , Liu Youwen , Nie Anmin , Li Huiqiao , Xia Bao Yu , Zhai Tianyou 
Published: August 2021

AbstractBimetallic sulfides are expected to realize efficient CO2 electroreduction into formate over a wide potential window, however, they will undergo in situ structural evolution under the reaction conditions. Therefore, clarifying the structural evolution process, the real active site and the catalytic mechanism is significant. Here, taking Cu2SnS3 as an example, we unveiled that Cu2SnS3 occurred self‐adapted phase separation toward forming the stable SnO2@CuS and SnO2@Cu2O heterojunction during the electrochemical process. Calculations illustrated that the strongly coupled interfaces as real active sites driven the electron self‐flow from Sn4+ to Cu+, thereby promoting the delocalized Sn sites to combine HCOO* with H*. Cu2SnS3 nanosheets achieve over 83.4 % formate selectivity in a wide potential range from −0.6 V to −1.1 V. Our findings provide insight into the structural evolution process and performance‐enhanced origin of ternary sulfides under the CO2 electroreduction.
Rock engravings and occupation sites in the Mount Bosavi Region, Papua New Guinea: Implications for our understanding of the human presence in the Southern Highlands
Authors: LAMB LARA , BARKER BRYCE , LEAVESLEY MATTHEW , AUBERT MAXIME , FAIRBAIRN ANDREW , MANNE TIINA 
Published: August 2021

AbstractAn extensive body of engraved rock art on the Great Papuan Plateau is documented here for the first time, along with the first dates for occupation. Consisting largely of deeply abraded or pecked barred ovals and cupules, the rock art of this region does not fit comfortably into any regional models for rock art previously described. It does, however, exhibit some similarity to art in regions to the east and the west of the plateau. Subject to further archaeological testing, we present a number of exploratory hypotheses with which to explain the presence of the engravings; as part of the ethnographic and contemporary Kasua's cultural suite; as part of a relatively recent (late Holocene) migration of peoples from the Gulf to the plateau; or as part of an earlier movement of people from the west, possibly as part of the movement of people into the Sahul continent in the Late Pleistocene. We conclude that the Great Papuan Plateau is not a late and marginally occupied ‘backwater’ but rather part of a possible corridor of human movement across northern Sahul and a region that could allow us to better understand modern humans as they reached the Sahul continent.
In Vitro Anticancer Activity of Nanoformulated Mono‐ and Di‐nuclear Pt Compounds
Authors: Wang Pan , Wang Jian‐Wei , Zhang Wen‐Hua , Bai Hongzhen , Tang Guping , Young David J. 
Published: August 2021

AbstractNanoformulations of mononuclear Pt complexes cis‐PtCl2(PPh3)2 (1), [Pt(PPh3)2(L−Cys)] ⋅ H2O (3, L−Cys=L‐cysteinate), trans‐PtCl2(PPh2PhNMe2)2 (4; PPh2PhNMe2=4‐(dimethylamine)triphenylphosphine), trans‐PtI2(PPh2PhNMe2)2 (5) and dinuclear Pt cluster Pt2(μ‐S)2(PPh3)4 (2) have comparable cytotoxicity to cisplatin against murine melanoma cell line B16F10. Masking of these discrete molecular entities within the hydrophobic core of Pluronic® F‐127 significantly boosted their solubility and stability, ensuring efficient cellular uptake, giving in vitro IC50 values in the range of 0.87–11.23 μM. These results highlight the potential therapeutic value of Pt complexes featuring stable Pt−P bonds in nanocomposite formulations with biocompatible amphiphilic polymers.
Inhibition of glutathione reductase uncovers the activation of NADPH‐inhibited glucose‐6‐phosphate dehydrogenase
Authors: González‐Blanco Alejandro , Allo Alejandro , Barcia Ramiro , Ramos‐Martínez Juan Ignacio 
Published: August 2021

AbstractEggleston and Krebs pointed to a paradox in glucose‐6‐phosphate dehydrogenase (G6PD) regulating process that has not yet been solved, and which originated the term “fine regulation” of G6PD and, therefore, of oxidative phase of pentose phosphate pathway (OPPP). The paradox is that, in basal‐like conditions, the activity of G6PD evaluated “in vitro” is very low or nearly null because of the potent inhibiting effect exerted by NADPH, a coenzyme whose concentration in the cell is much higher than that of the substrate NADP+. However, “in vivo,” flow through OPPP occurs in basal conditions. Eggleston and Krebs speculated on the possible existence of a system that would reverse the inhibition by NADPH. Such system would involve oxidized glutathione and exclude the participation of glutathione reductase (GR). The present work confirms the experimental results obtained by Eggleston and Krebs and proves that oxidized glutathione (GSSG) in the absence of NADPH is a direct inhibitor of G6PD. In the presence of GSSG, the G6PD activity recovery system suggested can be observed when GR is previously inhibited by alkylating agents. An unknown element with a molecular weight ranging between 12 and 50 kDa has been found to reverse part of G6PD inhibition by NADPH.
Effect of catechin and commercial preparation of green tea essence on the pharmacokinetics of l‐dopa in rabbits
Authors: Lin Shwu‐Jiuan , Tai Lily , Huang Yu‐Jie , Uang Yow‐Shieng , Ho Yih , Hsu Kuang‐Yang , Wang Li‐Hsuan 
Published: August 2021

AbstractThe aim of this study was to investigate drug interactions of L‐dopa/carbidopa with catechin and green tea essence in rabbits following the simultaneous administration via an intramuscular injection of catechin or via an intragastric route for green tea essence with L‐dopa/carbidopa. The results indicated that catechin at doses of 10, 20 and 50 mg/kg increased the area under the plasma concentration–time curve from time zero to the time of the last quantifiable concentration (AUC0–t) of L‐dopa by about 69, 78 and 42%, respectively. The metabolic ratios of the AUC0–t for 3‐O‐methyldopa (3‐OMD)/L‐dopa significantly decreased by about 56, 68 and 76% (P < 0.05), respectively. In addition, a single dose of 5/1.25 mg/kg L‐dopa/carbidopa was co‐administrated with 150 mg/kg green tea essence via an intragastric route with an oral‐gastric tube. Comparing the related pharmacokinetic parameters of L‐dopa, the clearance and metabolic ratio of L‐dopa decreased by 20 and 19% (P < 0.05), respectively. In conclusion, catechin and green tea essence can significantly affect the metabolism of L‐dopa by the catechol‐O‐methyltransferase (COMT) metabolic pathway. Catechin can enhance L‐dopa bioavailability, and both catechin and green tea essence decreased 3‐OMD formation. Therefore, catechin and green tea essence may increase L‐dopa efficacy for Parkinson's disease treatment.
Familiness, business strategy and stakeholder engagement: The internationalisation of Spanish olive oil mills
Authors: Cano‐Rubio Myriam , Lombardi Rosa , Fuentes‐Lombardo Guadalupe , Núñez‐Cacho Pedro 
Published: August 2021

AbstractBased on social capital theory and the family‐firm context, this paper studies familiness' composition and the result of the overlap of the family and firm systems, analysing their influence on the internationalisation strategies of family firms. In this relationship, the stakeholder engagement becomes at the same time an antecedent and a result when developing family businesses' strategies, being one of the most relevant the internationalisation strategies. Prior research focused on familiness as the result of proxy variables such as the percentage of ownership and management in family hands, or business size, instead of as psychological variables resulting from shared organisational culture and social interactions. Through a qualitative study based on 12 interviews of general managers and/or export managers of Spanish family olive oil mills, this study asserts that the level of familiness influences internationalisation strategies, the reasons underlying a business becoming international and its commitment to activities abroad being the role of stakeholders crucial in those interactions. The higher the level of familiness, the more likely the family business internationalisation and the higher their levels of international commitment. Additionally, the higher the concern about their stakeholders, the higher their levels of international commitment. The family businesses' concern for their stakeholders and their international commitment share a reciprocal relationship. The results regarding the relevance of familiness as social capital resources in sustaining competitive advantages support the decision to promote, develop and nurture social capital when a family business goes international.
One‐Pot Synthesis of Primary and Secondary Aliphatic Amines via Mild and Selective sp3 C−H Imination
Authors: Ghosh Subrata K. , Hu Mengnan , Comito Robert J. 
Published: August 2021

AbstractThe direct replacement of sp3 C−H bonds with simple amine units (−NH2) remains synthetically challenging, although primary aliphatic amines are ubiquitous in medicinal chemistry and natural product synthesis. We report a mild and selective protocol for preparing primary and secondary aliphatic amines in a single pot, based on intermolecular sp3 C−H imination. The first C−H imination of diverse alkanes, this method shows useful site‐selectivity within substrates bearing multiple sp3 C−H bonds. Furthermore, this reaction tolerates polar functional groups relevant for complex molecule synthesis, highlighted in the synthesis of amine pharmaceuticals and amination of natural products. We characterize a unique C−H imination mechanism based on radical rebound to an iminyl radical, supported by kinetic isotope effects, stereoablation, resubmission, and computational modeling. This work constitutes a selective method for complex amine synthesis and a new mechanistic platform for C−H amination.
Symptom clusters in 1330 survivors of 7 cancer types from the PROFILES registry: A network analysis
Authors: de Rooij Belle H. , Oerlemans Simone , van Deun Katrijn , Mols Floortje , de Ligt Kelly M. , Husson Olga , Ezendam Nicole P. M. , Hoedjes Meeke , van de Poll‐Franse Lonneke V. , Schoormans Dounya 
Published: August 2021

BackgroundResearch into the clustering of symptoms may improve the understanding of the underlying mechanisms that affect survivors' symptom burden. This study applied network analyses in a balanced sample of cancer survivors to 1) explore the clustering of symptoms and 2) assess differences in symptom clustering between cancer types, treatment regimens, and short‐term and long‐term survivors.MethodsThis study used cross‐sectional survey data, collected between 2008 and 2018, from the population‐based Patient Reported Outcomes Following Initial Treatment and Long Term Evaluation of Survivorship registry, which included survivors of 7 cancer types (colorectal cancer, breast cancer, ovarian cancer, thyroid cancer, chronic lymphocytic leukemia, Hodgkin lymphoma, and non‐Hodgkin lymphoma). Regularized partial correlation network analysis was used to explore and visualize the associations between self‐reported symptoms (European Organisation for Research and Treatment of Cancer Quality of Life Questionnaire) and the centrality of these symptoms in the network (ie, how strongly a symptom was connected to other symptoms) for the total sample and for subgroups separately.ResultsIn the total sample (n = 1330), fatigue was the most central symptom in the network with moderate direct relationships with emotional symptoms, cognitive symptoms, appetite loss, dyspnea, and pain. These relationships persisted after adjustments for sociodemographic and clinical characteristics. Connections between fatigue and emotional symptoms, appetite loss, dyspnea, and pain were consistently found across all cancer types (190 for each), treatment regimens, and short‐term and long‐term survivors.ConclusionsIn a heterogenous sample of cancer survivors, fatigue was consistently the most central symptom in all networks. Although longitudinal data are needed to build a case for the causal nature of these symptoms, cancer survivorship rehabilitation programs could focus on fatigue to reduce the overall symptom burden.
Morphometric analysis of astrocytes in vocal production circuits of common marmoset (Callithrix jacchus)
Authors: Turk Ariana Z. , SheikhBahaei Shahriar 
Published: August 2021

AbstractAstrocytes, the star‐shaped glial cells, are the most abundant non‐neuronal cell population in the central nervous system. They play a key role in modulating activities of neural networks, including those involved in complex motor behaviors. Common marmosets (Callithrix jacchus), the most vocal non‐human primate (NHP), have been used to study the physiology of vocalization and social vocal production. However, the neural circuitry involved in vocal production is not fully understood. In addition, even less is known about the involvement of astrocytes in this circuit. To understand the role, that astrocytes may play in the complex behavior of vocalization, the initial step may be to study their structural properties in the cortical and subcortical regions that are known to be involved in vocalization. Here, in the common marmoset, we identify all astrocytic subtypes seen in other primate's brains, including intralaminar astrocytes. In addition, we reveal detailed structural characteristics of astrocytes and perform morphometric analysis of astrocytes residing in the cortex and midbrain regions that are associated with vocal production. We found that cortical astrocytes in these regions illustrate a higher level of complexity when compared to those in the midbrain. We hypothesize that this complexity that is expressed in cortical astrocytes may reflect their functions to meet the metabolic/structural needs of these regions.
Transfer learning based attack detection for wireless communication networks
Authors: Li Sijia , Pang Jiali , Wu Qiang , Yao Na , Yuan Weiwei 
Published: August 2021

AbstractWireless communication network attack detection is important in the field of wireless communication network data mining. Transfer learning is a powerful tool to solve the problem of link prediction in unlabeled wireless networks. In the feature mapping process of transfer learning, the loss of source domain information is very serious, which leads to the loss of knowledge in inverse mapping. To obtain more specific and complete information in the source domain, a link prediction method based on the distribution function fitting method of domain orthogonal term family is proposed. The key samples in the source domain are used to construct a family of orthogonal polynomials, and the least square approximation of the distribution function is obtained by using the family of orthogonal polynomials. The feature vector set of the key samples is extracted from the source domain, and the pseudo label is assigned to the target training set, so that the link classifier can complete the supervised link prediction task. In addition, an advanced performance of TLAD is obtained by comparing with other state‐of‐the‐art models in practice.
RepExpress: A Novel Pipeline for the Quantification and Characterization of Transposable Element Expression from RNA‐seq Data
Authors: Stockwell Peter A. , Lynch‐Sutherland Chiemi F. , Chatterjee Aniruddha , Macaulay Erin C. , Eccles Michael R. 
Published: August 2021

AbstractTransposable elements (TEs) are key regulators of both development and disease; however, their repetitive nature presents substantial computational challenges to their analysis. Due to a lack of computational tools and suitable analysis frameworks, TE expression is often not quantified at the locus level. Therefore, we have developed RepExpress, a novel pipeline that enables locus‐level TE quantification and characterization. RepExpress enables the characterization of TE expression in a genomic context, and is the first tool focusing on the identification of tissue‐specific TE‐derived and TE‐regulated genes. RepExpress identifies expressed TEs overlapping with annotated genomic features and enables tissue‐specific profiles of TE‐derived genes. TEs that are expressed with no overlap with any known genomic features are characterized by the closest downstream genomic feature enabling identification of novel TE‐gene regulatory relationships. RepExpress takes standard RNA‐seq data as input and performs genomic alignment optimized for TEs. Our novel pipeline quantifies expression of both TEs and genes using featureCounts and Stringtie, respectively. RepExpress then filters expressed repeats and characterizes their genomic context, enabling the identification of TEs that overlap with genes, or that may be influencing gene expression. Here, we describe RepExpress, and provide a step‐by‐step protocol detailing its workflow. We also discuss other TE analysis tools and their applicability to addressing different biological questions. © 2021 Wiley Periodicals LLC.Basic Protocol: RepExpress workflow
Phenomics Approach to Investigate Behavioral Toxicity of Environmental or Occupational Toxicants in Adult Zebrafish (Danio rerio)
Authors: Audira Gilbert , Lai Yu‐Heng , Huang Jong‐Chin , Chen Kelvin H.‐C. , Hsiao Chung‐Der 
Published: August 2021

AbstractOver the last few years, environmental pollution, especially water pollution, has become a serious issue worldwide. Thus, methods that can help us understand the impact and effects of these pollutants, especially on aquatic animals, are needed. Behavioral assessment has emerged as a crucial tool in toxicology and pharmacology because many studies have shown, in multiple animal models, that various pharmacological compounds can alter behavior, with many of the findings being translatable to humans. Moreover, behavior study can also be used as a suitable indicator in the ecotoxicological risk assessment of pollutants. Several model organisms, especially rodent models, have been extensively employed for behavior studies. However, assessments using this model are generally time consuming, expensive, and require extensive facilities for housing experimental animals. Moreover, behavioral studies typically use different measurements and assessment tools, making comparisons difficult. In addition, even though behavioral phenomics has the potential to comprehensively illustrate the toxicities of chemicals, there is only a limited number of studies focusing on animal behavior using such a global approach. Here, we describe a phenomics approach that can be used to investigate the impact of pollutants using zebrafish. The approach consists of several behavioral tests, including response to a novel environment, mirror‐reflection image, predator fish, and conspecifics, after exposure to a test chemical. Phenotype fingerprinting, a method for summarizing individual phenotypes based on the results of the behavioral tests, is then conducted to reduce data complexity and display the pattern of each compound on behavioral phenotypes in zebrafish. This approach may be useful to researchers studying the potential adverse effects of different pollutants. © 2021 Wiley Periodicals LLC.Basic Protocol 1: Novel tank testBasic Protocol 2: Shoaling testBasic Protocol 3: Aggression test (mirror biting test)Basic Protocol 4: Social interaction testBasic Protocol 5: Fear response testBasic Protocol 6: PCA and heatmap clustering
Sox9CreER‐mediated deletion of β‐catenin in palatal mesenchyme results in delayed palatal elevation accompanied with repressed canonical Wnt signaling and reduced actin polymerization
Authors: Pang Xiaoxiao , Wang Xiaoming , Wang Yahong , Pu Lingling , Shi Jiayu , Burdekin Nathaniel , Shi Bing , Li Chenghao 
Published: August 2021

AbstractCleft palate is a good model to pushing us toward a deeper understanding of the molecular mechanisms of spatiotemporal patterns in tissues and organisms because of the multiple‐step processes such as elevation and fusion. Previous studies have shown that the epithelial β‐catenin is crucial for palatal fusion, however, the function of the mesenchymal β‐catenin remains elusive. We investigate the role of mesenchymal β‐catenin in palatal development by generating a β‐catenin conditional knockout mouse (CKO) (Sox9CreER; Ctnnb1F/F). We found that the CKO mice exhibited delayed palatal elevation, leading to cleft palate in both in vivo and ex vivo. Abnormal cell proliferation and repressed mesenchymal canonical Wnt signaling were found in the CKO palate. Interestingly, Filamentous actin (F‐actin) polymerization was significantly reduced in the palatal mesenchyme of mutant embryos. Furthermore, overexpression of adenovirus‐mediated transfection with Acta1 in the mutant could help to elevate the palatal shelves but could not prevent cleft palate in ex vivo. Our results suggest that conditionally knock out β‐catenin in the palatal mesenchyme by Sox9CreER leading to delayed palatal elevation, which results in repressed mesenchymal canonical Wnt signaling, decreased cell proliferation, and reduced actin polymerization, finally causes cleft palate.