bluuebunny/crossref_metadata_2025_split huggingface dataset:
Exploring physical activity in Central Chile during the Early Ceramic Period and Late Intermediate Period (200–1450 CE)
Authors: Abarca‐Labra Violeta , Herrera‐Soto María‐José , Flores‐Alvarado Sandra , Ulloa‐Velásquez Carolina , Urrutia‐Álvarez Constanza , Falabella‐Gellona Fernanda , Sanhueza‐Riquelme Lorena 
Published: November 2021

AbstractObjectivesWe explore physical activity in early farming societies of Central Chile during the Early Ceramic and Late Intermediate Periods (200–1450 CE), a time of technological changes and intensification of food production. The existence of differences in entheseal changes (EC) between females and males is evaluated in two periods with different subsistence strategies.Material and methodsEC were recorded with method in the upper and lower limbs of 56 male and female adult individuals from the Early Ceramic Period (ECP) and Late Intermediate Period (LIP). Hierarchical multiple factor analysis and hierarchical clustering on principal components were performed using an exploratory approach.ResultsIn all the analyzed limbs, the EC scores are higher in males than females, which may be explained by sexual dimorphism. A constant overlap in the variability of the EC among males and females is observed. However, the EC scores show a different pattern of variability when comparing ECP females with LIP females. The results show that the scores increase in the latter. In contrast, when comparing ECP males with LIP males scores decrease in the later period.DiscussionPhysical activity in the societies of Central Chile with incipient agriculture did not vary by sex or during the timeframe studied. Nevertheless, the interaction between sex‐period and the variability pattern of the EC from one period to another suggests different ways of doing similar physical activities or different emphases for similar biomechanical actions.
Redox‐Active Heteroatom‐Functionalized Polyacetylenes
Authors: Luppi Bruno T. , Muralidharan Abhishek V. , Ostermann Nils , Cheong I T. , Ferguson Michael J. , Siewert Inke , Rivard Eric 
Published: November 2021

AbstractThe discovery of metallic conductivity in polyacetylene [‐HC=CH‐]n upon doping represents a landmark achievement. However, the insolubility of polyacetylene and a dearth of methods for its chemical modification have limited its widespread use. Here, we employ a ring‐opening metathesis polymerization (ROMP) protocol to prepare functionalized polyacetylenes (fPAs) bearing: (1) electron‐deficient boryl (‐BR2) and phosphoryl (‐P(O)R2) side chains; (2) electron‐donating amino (‐NR2) groups, and (3) ring‐fused 1,2,3‐triazolium units via strain‐promoted Click chemistry. These functional groups render most of the fPAs soluble and can lead to intense light absorption across the visible to near‐IR region. Also, the presence of redox‐active boryl and amino groups leads to opposing near‐IR optical responses upon (electro)chemical reduction or oxidation. Some of the resulting fPAs show greatly enhanced air stability when compared to known polyacetylenes. Lastly, these fPAs can be cross‐linked to yield network materials with the full retention of optical properties.
Vectorial Catalysis in Surface‐Anchored Nanometer‐Sized Metal–Organic Frameworks‐Based Microfluidic Devices
Authors: Semrau Anna Lisa , Stanley Philip M. , Huber Dominik , Schuster Michael , Albada Bauke , Zuilhof Han , Cokoja Mirza , Fischer Roland A. 
Published: November 2021

AbstractVectorial catalysis—controlling multi‐step reactions in a programmed sequence and by defined spatial localization in a microscale device—is an enticing goal in bio‐inspired catalysis research. However, translating concepts from natural cascade biocatalysis into artificial hierarchical chemical systems remains a challenge. Herein, we demonstrate integration of two different surface‐anchored nanometer‐sized metal–organic frameworks (MOFs) in a microfluidic device for modelling vectorial catalysis. Catalyst immobilization at defined sections along the microchannel and a two‐step cascade reaction was conducted with full conversion after 30 seconds and high turnover frequencies (TOF≈105 h−1).
Synthesis and biological evaluation of novel tetranuclear cyclopalladated complex bearing thiosemicarbazone scaffold ligand: Interactions with double‐strand DNA, coronavirus, and molecular modeling studies
Authors: Lighvan Zohreh Mehri , Khonakdar Hossein Ali , Akbari Ali , Jahromi Maryam Dehdashti , Ramezanpour Azar , Kermagoret Anthony , Heydari Abolfazl , Jabbari Esmaiel 
Published: November 2021

AbstractThreading intercalators are a novel class of materials that carry two substituents along the diagonal positions of an aromatic ring. When bound to DNA, these substituents project out in DNA grooves. Tetranuclear complexes appear to be promising threading intercalators for developing therapeutics against cancer and viral infections that require high nucleic acid binding affinity. The objective of this work was to prepare the thiosemicarbazone scaffold ligand [4‐ClC6H4CHN=NC(S)NHPh] and tetranuclear cyclopalladated complex [Pd(4‐ClC6H4CHN=NC(S)NHPh)4] and to characterize the compounds by elemental analysis, 1D and 2D NMR, HRMS, and IR spectroscopy. The calf thymus DNA (CT‐DNA) binding properties of the compounds were investigated in vitro under simulated physiological conditions using UV–vis spectroscopy, emission spectral titration, methylene blue competitive binding, circular dichroism, DNA thermal denaturation, DNA binding, and coronavirus interactions using molecular simulation. The compounds showed cytotoxic effect against both human breast (MCF‐7) and colorectal (HCT116) cancer cells in a dose‐dependent manner. We demonstrated that the compounds are promising for DNA threading intercalation binders with large DNA binding constants on the order of 107 M−1magnitude.
A nine‐coordinated bismuth(III) Schiff‐base complex: Design, synthesis, computational studies, and antimicrobial activity
Authors: Lei Yan‐Hua , Jiang Jian‐Hong , Li Xu , Li Qiang‐Guo , Li Chuan‐Hua 
Published: November 2021

AbstractA new bismuth(III) Schiff‐base complex [Bi2(HL)2(NO3)4] was synthesized by using equivalent molar of Schiff‐base ligand [H2L = (E)‐N′‐(2‐hydroxy‐3‐methoxybenzylidene)isonicotinohydrazide] and Bi(NO3)3•5H2O with the assistance of Mannitol. The complex was structurally characterized by elemental analysis, spectroscopic methods, and single crystal X‐ray diffraction. The experimental and theoretical vibrational bands (infrared and Raman spectra) have been discussed. The antimicrobial activity of the complex against Schizosaccharomyces pombe was evaluated by bio‐microcalorimetry at 32°C. Some thermokinetic parameters (k, Pmax, tG, and Qtotal) were obtained from the metabolic power–time curves of S. pombe, and their quantitative relationships with the concentration (c) were discussed. The half inhibition concentrations (IC50) of isoniazid, Schiff base, and the complex were calculated. The complex showed the strongest inhibition effect among three compounds.
Quantitative assessment of damage evolution of carbon fiber‐reinforced polymer laminates embedded with different nanoparticles using acoustic emission
Authors: Zhou Wei , Yang Sa , Ji Xiao‐long , Xu Han‐qing , Ding Zhen‐jun , Liu Ran , Zhang Peng‐fei 
Published: November 2021

AbstractNanoparticles can be used to optimize the interface structure and improve the mechanical properties of fiber‐reinforced composites. Herein, the damage evolution of carbon fiber‐reinforced composites embedded with different nanoparticles has been investigated using acoustic emission (AE) technology. Principal component analysis is used to reduce the dimension of AE parameters. Combining fuzzy C‐means (FCM) clustering with hierarchical clustering can improve the clustering quality, which is helpful to apply FCM results to the quantitative evaluation of damage. For multiwalled carbon nanotubes, graphene, and cellulose nanofibres, the cumulative AE energy of matrix cracking increases by 39.29%, 51.12%, and 53.69%, respectively, that of fiber/matrix debonding increases by 13.5%, 118.5% and 56.58%, and that of fiber breakage decreases by 97.9%, 94.32%, and 87.6%, respectively. The addition of nanoparticles helps to improve the stiffness and toughness of epoxy resin, and restricts crack propagation, thus enhancing the interfacial properties. AE technology can successfully help quantitatively evaluate the damage behavior and the mechanism of different multiscale reinforced composites. AE characteristic responses within the composites are consistent with scanning electron microscopy results.
The neuroanatomy of Zulmasuchus querejazus (Crocodylomorpha, Sebecidae) and its implications for the paleoecology of sebecosuchians
Authors: Pochat‐Cottilloux Yohan , Martin Jeremy E. , Jouve Stéphane , Perrichon Gwendal , Adrien Jérome , Salaviale Céline , de Muizon Christian , Cespedes Ricardo , Amiot Romain 
Published: November 2021

AbstractThe endocranial structures of the sebecid crocodylomorph Zulmasuchus querejazus (MHNC 6672) from the Lower Paleocene of Bolivia are described in this article. Using computed tomography scanning, the cranial endocast, associated nerves and arteries, endosseous labyrinths, and cranial pneumatization are reconstructed and compared with those of extant and fossil crocodylomorphs, representative of different ecomorphological adaptations. Z. querejazus exhibits an unusual flexure of the brain, pericerebral spines, semicircular canals with a narrow diameter, as well as enlarged pharyngotympanic sinuses. First, those structures allow to estimate the alert head posture and hearing capabilities of Zulmasuchus. Then, functional comparisons are proposed between this purportedly terrestrial taxon, semi‐aquatic, and aquatic forms (extant crocodylians, thalattosuchians, and dyrosaurids). The narrow diameter of the semicircular canals but expanded morphology of the endosseous labyrinths and the enlarged pneumatization of the skull compared to other forms indeed tend to indicate a terrestrial lifestyle for Zulmasuchus. Our results highlight the need to gather new data, especially from altirostral forms in order to further our understanding of the evolution of endocranial structures in crocodylomorphs with different ecomorphological adaptations.
Activating endogenous resolution pathways by soluble epoxide hydrolase inhibitors for the management of COVID‐19
Authors: Manickam Manoj , Meenakshisundaram Sangeetha , Pillaiyar Thanigaimalai 
Published: November 2021

AbstractAnti‐inflammatory, specialized proresolving mediators such as resolvins, protectins, maresins, and lipoxins derived from polyunsaturated acids may play a potential role in lung diseases as they protect different organs in animal disease models. Polyunsaturated fatty acids are an important resource for epoxy fatty acids (EET, EEQ, and EDP) that mediate a broad array of anti‐inflammatory and proresolving mechanisms, such as mitigation of the cytokine storm. However, epoxy fatty acids are rapidly metabolized by soluble epoxide hydrolase (sEH). In animal studies, administration of sEH inhibitors (sEHIs) increases epoxy fatty acid levels, reduces lung inflammation, and improves lung function, making it a viable COVID‐19 treatment approach. Thus, using sEHIs to activate endogenous resolution pathways might be a novel method to minimize organ damage in severe cases and improve outcomes in COVID‐19 patients. This review focuses on the use of sEH inhibitors to activate endogenous resolution mechanisms for the treatment of COVID‐19.
Cyclopentadienyl Complexes of the Alkaline Earths in Light of the Periodic Trends
Authors: Baguli Sudip , Mondal Sumana , Mandal Chhotan , Goswami Santu , Mukherjee Debabrata 
Published: November 2021

AbstractThe electron‐rich cyclopentadienyl and the analogous indenyl and fluorenyl ligands (collectively denoted here as Cp’) have been impactful in stabilizing electron‐deficient metal centers including the highly electropositive alkaline earths. Being in the s‐block, the group 2 metals follow a major periodic variation in their atomic and ionic properties which is reflected in those Cp’ compounds. This article presents an overview of this class of compounds for all the five metals from beryllium to barium (radium is excluded for its radioactivity), highlighting their systematic variation.
Powerful quasars with young jets in multi‐epoch radio surveys
Authors: Nyland Kristina , Dong Dillon Z. , Patil Pallavi , Lacy Mark , van Velzen Sjoert , Kimball Amy E. , Sarbadhicary Sumit K. , Hallinan Gregg , Baldassare Vivienne , Clarke Tracy E. , Goulding Andy D. , Greene Jenny , Hughes Andrew , Kassim Namir , Kunert‐Bajraszewska Magdalena , Maccarone Thomas J. , Mooley Kunal , Mukherjee Dipanjan , Peters Wendy , Petrov Leonid , Polisensky Emil , Rujopakarn Wiphu , Whittle Mark , Vaccari Mattia 
Published: November 2021

AbstractEnergetic feedback driven by the large‐scale (100's of kpc) lobes of classical radio galaxies is known to play an important role in shaping galaxy evolution. However, the prevalence of young and compact jets – and their impact on the interstellar medium – remains an open question. Multi‐epoch radio surveys with cadences of years to decades offer a promising means of identifying even faint (mJy‐level) jets that are compact and potentially young on the basis of variability. Recently, a comparison of images from the Very Large Array Sky Survey (VLASS) and the Faint Images of the Radio Sky at Twenty Centimeters (FIRST) survey has revealed a population of distant () quasars that have brightened dramatically in the past 1–2 decades. These quasars appear to have transitioned from “radio‐quiet” nondetections in FIRST to “radio‐loud” detections in VLASS. Extensive multiband follow‐up observations with the VLA from 1 to 18 GHz have revealed compact (sub‐kpc) radio sources that are consistent with young jets that were recently triggered. Here, we summarize the status of our on‐going study of quasars with newborn jets identified in the radio time domain.
Effects of Mediterranean agricultural residues on microbial community and anaerobic digestion performance
Authors: Valenti Francesca , Rojas‐Sossa Juan Pablo , Zhong Yuan , Porto Simona M. C. , Toscano Attilio , Marsh Terence , Dale Bruce E. , Liu Yan , Liao Wei 
Published: November 2021

AbstractUnderstanding the effects of regionally available residues, wastes, and purpose‐grown energy crops on anaerobic microbes and corresponding digestion performance is important for designing and implementing suitable anaerobic digestion systems to manage them appropriately and to use them for bioenergy generation. This study analyzed and compared dynamic changes in anaerobic microbes and digestion performance using mixtures of six different materials (citrus pulp, olive pomace, cattle manure, poultry litter, whey, and corn silage) generated from Mediterranean agro‐industry. The results indicate that the feedstock mixture (FM3) with low citrus pulp (26% dry matter) and high olive pomace (18% dry matter) reached stable methane production of 210 mL methane/g volatile solids (VS) loading within 30 days after the start up. In contrast, the feedstock mixture (FM1) with high citrus pulp (44% dry matter) and low olive pomace (0% dry matter) required a longer time of at least 70 days to achieve a good methane production of 209 mL methane/g VS loading. The microbial community analysis and corresponding non‐metric dimensionless scaling (NMDS) analysis revealed dynamic relationships between microbial community, feedstock mixture, and digestion time. The feedstock mixtures with low citrus pulp content (FM2 and FM3) facilitated the accumulation of Archaea (i.e., Methanosarcinaceae), which led their digestion to reach stable methane production quicker than the digestion of FM1. This study provided useful information to valorize agricultural residues and wastes for bioenergy production in the Mediterranean region. © 2021 Society of Chemical Industry and John Wiley & Sons, Ltd
Evolutionary physiology at 30+: Has the promise been fulfilled?
Authors: Galván Ismael , Schwartz Tonia S. , Garland Theodore 
Published: November 2021

AbstractThree decades ago, interactions between evolutionary biology and physiology gave rise to evolutionary physiology. This caused comparative physiologists to improve their research methods by incorporating evolutionary thinking. Simultaneously, evolutionary biologists began focusing more on physiological mechanisms that may help to explain constraints on and trade‐offs during microevolutionary processes, as well as macroevolutionary patterns in physiological diversity. Here we argue that evolutionary physiology has yet to reach its full potential, and propose new avenues that may lead to unexpected advances. Viewing physiological adaptations in wild animals as potential solutions to human diseases offers enormous possibilities for biomedicine. New evidence of epigenetic modifications as mechanisms of phenotypic plasticity that regulate physiological traits may also arise in coming years, which may also represent an overlooked enhancer of adaptation via natural selection to explain physiological evolution. Synergistic interactions at these intersections and other areas will lead to a novel understanding of organismal biology.
Highway to hell‐thy meiotic divisions: Chromosome passenger complex functions driven by microtubules
Authors: McKim Kim S. 
Published: November 2021

AbstractThe chromosome passenger complex (CPC) localizes to chromosomes and microtubules, sometimes simultaneously. The CPC also has multiple domains for interacting with chromatin and microtubules. Interactions between the CPC and both the chromatin and microtubules is important for spindle assembly and error correction. Such dual chromatin‐microtubule interactions may increase the concentration of the CPC necessary for efficient kinase activity while also making it responsive to specific conditions or structures in the cell. CPC‐microtubule dependent functions are considered in the context of the first meiotic division. Acentrosomal spindle assembly is a process that depends on transfer of the CPC from the chromosomes to the microtubules. Furthermore, transfer to the microtubules is not only to position the CPC for a later role in cytokinesis; metaphase I error correction and subsequent bi‐orientation of bivalents may depend on microtubule associated CPC interacting with the kinetochores.
Estimation in multivariate linear mixed models for longitudinal data with multiple outputs: Application to PBCseq data analysis
Authors: Taavoni Mozhgan , Arashi Mohammad 
Published: November 2021

AbstractIn many biomedical studies or clinical trials, we have data with more than one response variable on the same subject repeatedly measured over time. In analyzing such data, we adopt a multivariate linear mixed‐effects longitudinal model. On the other hand, in longitudinal data, we often find features that do not impact modeling the response variable and are eliminated from the study. In this paper, we consider the problem of simultaneous variable selection and estimation in a multivariate t linear mixed‐effects model (MtLMM) for analyzing longitudinally measured multioutcome data. This work's motivation comes from a cohort study of patients with primary biliary cirrhosis. The interest is eliminating insignificant variables using the smoothly clipped and absolute deviation penalty function in the MtLMM. The proposed penalized model offers robustness and flexibility to accommodate fat tails. An expectation conditional maximization algorithm is employed for the computation of maximum likelihood estimates of parameters. The calculation of standard errors is affected by an information‐based method. The methodology is illustrated by analyzing Mayo Clinic Primary Biliary Cirrhosis sequential (PBCseq) data and a simulation study. We found drugs and sex can be eliminated from the PBCseq analysis, and over time the disease progresses.
Professionalisation in counselling as a narrative identity project: Insights and implications from counsellor education in Germany
Authors: Rohr Dirk , Baum Robert 
Published: November 2021

AbstractThis article discusses the structure and possible future developments of Counsellors' education in Germany and places these findings in an international context. It presents a concept of narrative professional identity as a ‘core idea’ of Counsellors' education and gives suggestions on how to implement this concept in Counsellors' education in Germany and worldwide.
Real‐Time Multi‐Photon Tracking and Bioimaging of Glycosylated Theranostic Prodrugs upon Specific Enzyme Triggered Release
Authors: Calatrava‐Pérez Elena , Marchetti Luke A. , McManus Gavin J. , Lynch Dylan M. , Elmes Robert B. P. , Williams D. Clive , Gunnlaugsson Thorfinnur , Scanlan Eoin M. 
Published: November 2021

AbstractReal‐time tracking of prodrug uptake, delivery and activation in vivo represents a major challenge for prodrug development. Herein, we demonstrate the use of novel glycosylated theranostics of the cancer pharmacophore Amonafide in highly‐selective, enzymatic triggered release. We show that the use of endogenous enzymes for activated release of the therapeutic component can be observed, in real time, and monitored using one and two‐photon bioimaging, offering unique insight into the prodrug pharmacokinetic profile. Furthermore, we demonstrate that the potent cytotoxicity of Amonafide is preserved using this targeted approach.
Functional Proteomics Driven by Chemical and Computational Approaches
Authors: Chen Ying , Qin Wei , Wang Chu 
Published: November 2021

Comprehensive SummaryFunctional proteomics is a powerful approach to globally investigate protein functions and their biological significance. Activity‐based protein profiling (ABPP) has been widely applied to explore the activity and ligandability of proteins in complex biological systems. Herein, we summarized our efforts in developing chemical probes and chemical proteomic pipelines to identify protein targets of certain post‐translational modifications (PTMs), covalent drugs, natural products and cellular metabolites. Furthermore, computer‐aided proteomic strategies were developed to globally identify functional residues including hyper‐reactive cysteines, active sites of selenoproteins and proximal anchors for protein activation.
How do you get into this specific field? Could you please share some experiences with our readers?When I finished my Ph.D. in computational structure biology, I was attracted to chemical biology as it is a highly interdisciplinary field. I was fascinated by how chemical probes can capture and reveal important functions of proteins, particularly in complexed biological settings.How do you supervise your students?I tend to let my students explore freely on research subjects they are interested in as long as the topics fit in the scope of functional proteomics. I enjoy the experience of working with them instead of supervising them.What is the most important personality for scientific research?In my opinion, the most important personality for scientific research is perseverance, passion and logical thinking.How do you keep balance between research and family?Research and family should not conflict with each other and they are both inseparable parts of my life. Practically, I just leave enough family time on my schedule so that they are not interfered by my research works.What are your hobbies?My hobbies are watching soccer games and sitcoms. I used to play soccer quite a lot but sadly my knees do not allow it any more. My favorite soccer club is AC Milan and my favorite sitcom is Friends.Could you please give us some advices on improving Chinese Journal of Chemistry?Stay diversified, in terms of both research subjects published as well as career stages of contributing authors.