bluuebunny/crossref_metadata_2025_split huggingface dataset:
Embedding Ultrasmall Au Clusters into the Pores of a Covalent Organic Framework for Enhanced Photostability and Photocatalytic Performance
Authors: Deng Yang , Zhang Zhen , Du Peiyao , Ning Xingming , Wang Yue , Zhang Dongxu , Liu Jia , Zhang Shouting , Lu Xiaoquan 
Published: January 2020

AbstractGold clusters loaded on various supports have been widely used in the fields of energy and biology. However, the poor photostability of Au clusters on support interfaces under prolonged illumination usually results in loss of catalytic performance. Covalent organic frameworks (COFs) with periodic and ultrasmall pore structures are ideal supports for dispersing and stabilizing Au clusters, although it is difficult to encapsulate Au clusters in the ultrasmall pores. In this study, a two‐dimensional (2D) COF modified with thiol chains in its pores was prepared. With −SH groups as nucleation sites, Au nanoclusters (NCs) could grow in situ within the COF. The ultrasmall pores of the COF and the strong S−Au binding energy combine to improve the dispersibility of Au NCs under prolonged light illumination. Interestingly, Au–S–COF bridging as observed in this artificial Z‐scheme photocatalytic system is deemed to be an ideal means to increase charge‐separation efficiency.
Multicomponent Peptide Stapling as a Diversity‐Driven Tool for the Development of Inhibitors of Protein–Protein Interactions
Authors: Ricardo Manuel G. , Ali Ameena M. , Plewka Jacek , Surmiak Ewa , Labuzek Beata , Neochoritis Constantinos G. , Atmaj Jack , Skalniak Lukasz , Zhang Ran , Holak Tad A. , Groves Matthew , Rivera Daniel G. , Dömling Alexander 
Published: January 2020

AbstractStapled peptides are chemical entities in‐between biologics and small molecules, which have proven to be the solution to high affinity protein–protein interaction antagonism, while keeping control over pharmacological performance such as stability and membrane penetration. We demonstrate that the multicomponent reaction‐based stapling is an effective strategy for the development of α‐helical peptides with highly potent dual antagonistic action of MDM2 and MDMX binding p53. Such a potent inhibitory activity of p53‐MDM2/X interactions was assessed by fluorescence polarization, microscale thermophoresis, and 2D NMR, while several cocrystal structures with MDM2 were obtained. This MCR stapling protocol proved efficient and versatile in terms of diversity generation at the staple, as evidenced by the incorporation of both exo‐ and endo‐cyclic hydrophobic moieties at the side chain cross‐linkers. The interaction of the Ugi‐staple fragments with the target protein was demonstrated by crystallography.
Achieving Efficient Multichannel Conductance in Through‐Space Conjugated Single‐Molecule Parallel Circuits
Authors: Shen Pingchuan , Huang Miaoling , Qian Jingyu , Li Jinshi , Ding Siyang , Zhou Xiao‐Shun , Xu Bin , Zhao Zujin , Tang Ben Zhong 
Published: January 2020

AbstractConstructing single‐molecule parallel circuits with multiple conduction channels is an effective strategy to improve the conductance of a single molecular junction, but rarely reported. We present a novel through‐space conjugated single‐molecule parallel circuit (f‐4Ph‐4SMe) comprised of a pair of closely parallelly aligned p‐quaterphenyl chains tethered by a vinyl bridge and end‐capped with four SMe anchoring groups. Scanning‐tunneling‐microscopy‐based break junction (STM‐BJ) and transmission calculations demonstrate that f‐4Ph‐4SMe holds multiple conductance states owing to different contact configurations. When four SMe groups are in contact with two electrodes at the same time, the through‐bond and through‐space conduction channels work synergistically, resulting in a conductance much larger than those of analogous molecules with two SMe groups or the sum of two p‐quaterphenyl chains. The system is an ideal model for understanding electron transport through parallel π‐stacked molecular systems and may serve as a key component for integrated molecular circuits with controllable conductance.
Rational Development of Remote C−H Functionalization of Biphenyl: Experimental and Computational Studies
Authors: Fan Zhoulong , Bay Katherine L. , Chen Xiangyang , Zhuang Zhe , Park Han Seul , Yeung Kap‐Sun , Houk K. N. , Yu Jin‐Quan 
Published: January 2020

AbstractA simple and efficient nitrile‐directed meta‐C−H olefination, acetoxylation, and iodination of biaryl compounds is reported. Compared to the previous approach of installing a complex U‐shaped template to achieve a molecular U‐turn and assemble the large‐sized cyclophane transition state for the remote C−H activation, a synthetically useful phenyl nitrile functional group could also direct remote meta‐C−H activation. This reaction provides a useful method for the modification of biaryl compounds because the nitrile group can be readily converted to amines, acids, amides, or other heterocycles. Notably, the remote meta‐selectivity of biphenylnitriles could not be expected from previous results with a macrocyclophane nitrile template. DFT computational studies show that a ligand‐containing Pd–Ag heterodimeric transition state (TS) favors the desired remote meta‐selectivity. Control experiments demonstrate the directing effect of the nitrile group and exclude the possibility of non‐directed meta‐C−H activation. Substituted 2‐pyridone ligands were found to be key in assisting the cleavage of the meta‐C−H bond in the concerted metalation–deprotonation (CMD) process.
Selective and Sensitive Two New Macroacyclic Schiff base Fluorescent Turn‐Off Receptors for Fe3+, DFT Calculation and Their Antibacterial Activity
Authors: Ooshall Farkhondeh , Golbedaghi Reza , Jamehbozorgi Saeed 
Published: January 2020

AbstractTwo new Macroacyclic Schiff base chemosensors (L1 and L2) were synthesized by the one pot condensation reaction of 2‐[3‐(2‐formyl phenoxy)propoxy]benzaldehyde and aminophenol in a 1:2 molar ratio and were characterized by IR, NMR spectroscopy. Both Schiff bases displayed high selectivity and sensitivity towards Fe3+ over other metal ions in H2O‐DMF solution (Ag+,Cu2+, Ni2+, Zn2+, Mg+2, Mn+2, Pb+2, Co+2, Hg+2, Cr+3, Na+, Ba+2 and Cd2+) due to their structure including oxygen donor atoms. The test results showed fluorescence quenching of the fluorophores when Fe3+ was bound to the recognition units. From test results, a high selectivity for Fe3+ were discovered in this type of sensors, especially, the probe based on 2‐aminophenol exhibited more significant quenching in fluorescence intensity compared with 4‐aminophenol‐based due to its rigidity structure. In addition, the structure of ligands and their antibacterial properties was investigated.
A novel composite derived from a metal organic framework immobilized within electrospun nanofibrous polymers: An efficient methane adsorbent
Authors: Sargazi Ghasem , Afzali Daryoush , Mostafavi Ali , Kazemian Hossein 
Published: January 2020

AbstractIn this study, tantalum(V) metal organic framework (Ta‐MOF) nanostructure was incorporated within polyvinyl alcohol (PVA) nanofibers to prepare an electrospun porous composite as a novel CH4 adsorbent. The crystallinity, thermodynamic behavior, and textural properties of the products were investigated using instrumental analyses techniques. The results confirmed that the developed PVA/Ta‐MOF electrospun nanofibrous composite exhibits higher thermal stability, considerable porosity, and larger surface area compared to the parent Ta‐MOF. A 2k factorial design was used for systematic study of the adsorption process. The results of response surface methodology (RSM) optimization indicated that the highest methane adsorption can be achieved at 24.40 °C and 3.70 bar in 23.60 min. These nano pore sorbents showed a significant potential for CH4 adsorption due to the presence of Ta‐MOF at the surface of nanofibrous composite compared to many other conventional sorbents that have been already used. This study introduces a novel biocompatible/biodegradable nanofibrous composite material with high methane adsorption performance and potentials for other applications.
Ion transfer modeling based on Nernst–Planck theory for saline water desalination during electrodialysis process
Authors: Zhu Haitao , Yang Bo , Gao Congjie , Wu Yaqin 
Published: January 2020

AbstractElectrodialysis, an efficient and environmental friendly separation technology, plays a significant role in water treatment. In order to reveal ion transfer mechanism and predict electrodialysis behavior, a mathematical model for steady transport of a binary electrolyte during the desalination process was developed. The Nernst–Planck, electroneutrality equations, and other hydrodynamic equations were coupled and solved with appropriate boundary conditions using the finite element method. This model is capable to predict the local ion concentration, electric potential, and ion flux in a rectangular electrodialysis unit. The effects of voltage drop (0.4–1.0 V), inlet velocity (0.03–0.06 m/s), and initial feed concentration (500–700 mol/m3) are investigated, which could provide valuable guidance for electrodialysis operation in the practical project. Moreover, this model is validated by comparing its simulation result with experimental data of electrodialysis, and it could predict the desalination of saline water accurately. Ion transfer modeling provides an effective way to study the transfer mechanism, estimate the effects of various parameters conveniently, and realize the target‐oriented operation optimization.
A new microraptorine theropod from the Jehol Biota and growth in early dromaeosaurids
Authors: Poust Ashley W. , Gao Chunling , Varricchio David J. , Wu Jianlin , Zhang Fengjiao 
Published: January 2020

AbstractFossils from the Jehol Group (Early Cretaceous, Liaoning Province, China) are integral to our understanding of Paraves, the clade of dinosaurs grouping dromaeosaurids, troodontids, and avialians, including living birds. However, many taxa are represented by specimens of unclear ontogenetic age. Without a more thorough understanding of ontogeny, evolutionary relationships and significance of character states within paravian dinosaurs may be obscured and our ability to infer their biology restricted. We describe a complete specimen of a new microraptorine dromaeosaur, Wulong bohaiensis gen. et sp. nov., from the geologically young Jiufotang Formation (Aptian) that helps solve this problem. Phylogenetic analysis recovers the specimen within a monophyletic Microraptorinae. Preserved in articulation on a single slab, the type specimen is small and exhibits osteological markers of immaturity identified in other archosaurs, such as bone texture and lack of fusion. To contextualize this signal, we histologically sampled the tibia, fibula, and humerus and compared them with new samples from the closely related and osteologically mature Sinornithosaurus. Histology shows both specimens to be young and still growing at death, indicating an age for the new dinosaur of about 1 year. The holotype possesses several feather types, including filamentous feathers, pennaceous primaries, and long rectrices, establishing that their growth preceded skeletal maturity and full adult size in some dromaeosaurids. Comparison of histology in the new taxon and Sinornithosaurus indicates that macroscopic signs of maturity developed after the first year, but before cessation of growth, demonstrating that nonhistological indicators of adulthood may be misleading when applied to dromaeosaurids. Anat Rec, 303:963–987, 2020. © 2020 American Association for Anatomy
A Data‐Based Guide to the North American Ecology Faculty Job Market
Authors: Fox Jeremy 
Published: January 2020

AbstractEvery year for three years (2016–2018), I tried to identify every single person hired as a tenure‐track professor in ecology or an allied field (e.g., fish and wildlife) in the United States and Canada by consulting public sources. I identified a total of 566 hires. I also used public sources to compile data on the new hires and the institutions that hired them (e.g., number of publications, teaching experience, hiring institution Carnegie class). These data address some widespread anxieties and misunderstandings about the ecology faculty job market and also speak to gender diversity in recent ecology faculty hiring. They complement, and in some cases improve on, other sources of information, such as anecdotal personal experiences.
Plasmonic Biosensor Controlled by DNAzyme for On‐Site Genetic Detection of Pathogens
Authors: Lee Woogi , Hwang Byeong Hee 
Published: January 2020

AbstractOn‐site predetection of pathogens could significantly decrease of a disease outbreak or national loss in most of the countries. However, conventional detection techniques are limited in use for on‐site detection due to the necessity of specialized skill or equipment. Therefore, it is necessary to develop a new technique that can predetect pathogens in the field without special skills or equipment. Here, a DNAzyme strategy to control a plasmonic biosensor for rapid and simple visual detection of Salmonella choleraesuis is adopted. Multicomponent DNAzyme formed by target addition can cleave the linker effectively at 50 °C. Linker cleavage induces dispersion of two DNA‐immobilized gold nanoparticles and color change. Under optimized assay conditions, the target could be detected via visual discrimination sensitively and specifically. Moreover, the biosensor shows the possibility of practical use with contaminants and a 16S rRNA real target. As a result, the proposed plasmonic biosensor can visually detect S. choleraesuis without unstable enzymes, a specialized technique, or equipment. Therefore, these advantages could allow that this biosensor would be used for on‐site predetection to lower the risk of transmission of infectious diseases.
Analysis of variations in the contents of steroidal saponins in Fructus Tribuli during stir‐frying treatment
Authors: Zhang Chao , Wang Shuyue , Guo Fei , Ma Ting , Zhang Longfei , Sun Linlin , Wang Yingzi , Zhang Xuelan 
Published: January 2020

AbstractJust as natural saponins transform into aglycones, secondary glycosides and their derivatives using biotransformation technology, steroidal saponins may also undergo similar transformation after stir‐frying. The purpose of this study was to elucidate the variations and the reasons for these variations in the contents of steroidal saponins in Fructus Tribuli (FT) during a stir‐frying treatment. Stir‐fried FT was processed in different time–temperature conditions. An UHPLC–MS/MS method was established and fully validated for quantitative analysis. In addition, the simulation processing products of tribuluside A, terrestroside B, terrestrosin K, terrestrosin D and 25R‐tribulosin were determined by qualitative analysis using UHPLC–Q‐TOF–MS. The established UHPLC–MS/MS method provides a rapid, flexible, and reliable method for the quality assessment of FT. The present study revealed that furostanol saponins with a C22‐OH group could transform into corresponding furostanol saponins with a C‐20–C‐22 double bond (FSDB) via dehydroxylation. Additionally, FSDB could be successively converted into its secondary glycosides via a deglycosylation reaction. The transformation of spirostanol saponins into corresponding aglycones via deglycosylation led to a decrease in spirostanol saponins and an increase in aglycones. The results of this research provided scientific evidence of variation and structural transformation among steroidal saponins. These findings might be helpful for elucidating the processing mechanism of FT.
Environmental Regulation and Enterprise Innovation: A Review
Authors: Shao Shuai , Hu Zhigao , Cao Jianhua , Yang Lili , Guan Dabo 
Published: January 2020

AbstractThe impact of environmental regulation on enterprise innovation is closely related to the competitiveness of the enterprise and sustainable development of the regional economy, but existing research does not provide a consistent view. This paper summarizes the impacts of environmental regulation on enterprise innovation from the perspectives of technological innovation, product innovation, system innovation and ecological innovation. We find that the impacts of environmental regulation on enterprise innovation behaviour are complex, and that the impacts can be reflected together by the four aspects above and even by their interaction. Moreover, the impacts are not limited to the creation of new technologies, products, and systems but also include their adoption and application. In particular, whether the Porter hypothesis is true and which versions of the Porter hypothesis environmental regulation causes in enterprise innovation depend on enterprise characteristics, means of environmental regulation, and enterprises' strategic behaviours in an enterprise ecosystem. Finally, we propose five potential research directions: quantifying the degree of enterprise innovation caused by environmental regulation, the impacts of environmental regulation on sustainable economic development from an enterprise ecosystem perspective, the impacts of enterprise innovation on environmental regulation, the role of enterprise initiative in the relationship between environmental regulation and enterprise innovation, and social security issues and the integration of eliminated enterprises resulting from environmental regulation.
A critical appraisal of Monro's erroneous description of the cerebral interventricular foramina: Age‐related magnetic resonance imaging spatial morphometry and a proposed new terminology
Authors: Matys Tomasz , Brown Fraser S , Zaccagna Fulvio , Kirollos Ramez W. , Massoud Tarik F. 
Published: January 2020

AbstractAnatomic connections between the cerebral lateral and third ventricles have been mischaracterized since Monro's original erroneous description of his eponymous foramina (FoMs) as being only one T‐shaped passage. Accurate knowledge of the in vivo three‐dimensional (3D) configuration of FoM has important clinical neuroendoscopic, neurosurgical, and neuroimaging implications. We retrospectively analyzed volumetric high‐resolution brain magnetic resonance imaging of 100 normal individuals to characterize the normal spatial anatomy and morphometry for each FoM. We measured the true anatomical 3D angulations of FoMs relative to standard neuroimaging orthogonal planes, and their minimum width, depth, and distance between the medial borders of bilateral FoMs. The right and left FoMs were separate, distinct, and in a V‐shaped configuration. Each FoM was a round, oval, or crescent‐shaped canal‐like passage with well‐defined borders formed by the semicircular concavity of the ipsilateral forniceal column. The plane of FoM was angled on average 56.8° ± 9.1° superiorly from the axial plane, 22.5° ± 10.7° laterally, and 37.0° ± 6.9° anteriorly from the midsagittal plane; all these angles changing significantly with increasing age. The mean narrowest diameter of FoM was 2.8 ± 1.2 mm, and its depth was 2.5 ± 0.2 mm. Thus, the true size and orientation of FoM differs from that depicted on standard neuroimaging. Notably, in young subjects, FoM has a diameter smaller than its depth, a configuration akin to a short, small canal. We propose that the eponym “Monro” no longer be associated with this structure, and the term “foramen” be abandoned. Instead, FoM should be more appropriately renamed as the “interventricular canaliculus,” or IVC, for short.
Ex vivo virtual and 3D printing methods for evaluating an anatomy‐based spinal instrumentation technique for the 12th thoracic vertebra
Authors: Clifton William , Nottmeier Eric , ReFaey Karim , Damon Aaron , Vlasak Alexander , Tubbs R. Shane , Clifton Christopher L. , Pichelmann Mark 
Published: January 2020

AbstractIntroductionThree‐dimensional printing and virtual simulation both provide useful methods of patient‐specific anatomical modeling for assessing and validating surgical techniques. A combination of these two methods for evaluating the feasibility of spinal instrumentation techniques based on anatomical landmarks has not previously been investigated.Materials and MethodsNineteen anonymized CT scans of the thoracic spine in adult patients were acquired. Maximum pedicle width and height were recorded, and statistical analysis demonstrated normal distributions. The images were converted into standard tessellation language (STL) files, and the T12 vertebrae were anatomically segmented. The intersection of two diagonal lines drawn from the lateral and medial borders of the T12 transverse process (TP) to the lateral border of the pars and inferolateral portion of the TP was identified on both sides of each segmented vertebra. A virtual screw was created and insertion into the pedicle on each side was simulated using the proposed landmarks. The vertebral STL files were then 3D‐printed, and 38 pedicles were instrumented according to the individual posterior landmarks used in the virtual investigation.ResultsThere were no pedicle breaches using the proposed anatomical landmarks for insertion of T12 pedicle screws in the virtual simulation component. The technique was further validated by additive manufacturing of individual T12 vertebrae and demonstrated no breaches or model failures during live instrumentation using the proposed landmarks.ConclusionsEx vivo modeling through virtual simulation and 3D printing provides a powerful and cost‐effective means of replicating vital anatomical structures for investigation of complex surgical techniques.
Kambin's triangle and the position of the dorsal nerve root in the lumbar neural foramen
Authors: König Anya , Joseph Febin , Janse van Rensburg Charl , Myburgh Jolandie , Keough Natalie 
Published: January 2020

AbstractIntroductionAs a result of the increased utilization of neurosurgical arthroscopic techniques, investigations into population and sex‐specific trends of anatomical considerations have become increasingly important. This study aimed to investigate and describe aspects of the neuroanatomical morphometry of lumbar spines in a cadaveric and magnetic resonance imaging (MRI) sample.Materials and MethodsTwenty white adult (>18 years) cadavers (9 males; 11 females) were obtained under Ethical clearance. The lumbar regions were dissected and the position of the dorsal root ganglion (DRG) and dimensions of Kambin's triangle were determined. Twenty‐six black adult (>18 years) MRI scans (17 males; 9 females) were obtained from an Academic Hospital and were used to determine the dimensions of the neural foramen and the DRGs within.ResultsThe ganglia were mostly at the midline of the caudal pedicle. Similar to previous studies, the diagonal measurement from Kambin's triangle was the largest and the vertical measurement the shortest. Skeletal and soft‐tissue measurements indicated distinct trends when moving caudolaterally in the spine. Soft‐tissue parameters from the current study were within the upper limits of those from previous studies, whereas skeletal parameters were in agreement with those reported by previous authors.ConclusionsResults from this study suggest a variation of certain parameters between studies with varying population groups and therefore supports the need for and the importance of possible population‐specific trends of anatomical parameters considered during surgical procedures.