bluuebunny/crossref_metadata_2025_split huggingface dataset:
Large duplication in LMBR1 gene in a large Chinese pedigree with triphalangeal thumb polysyndactyly syndrome
Authors: Xu Jihai , Wu Jing , Teng Xiaofeng , Cai Libing , Yuan Huizong , Chen Xiaokun , Hu Mu , Wang Xin , Jiang Ning , Chen Hong 
Published: July 2020

AbstractPolydactyly and syndactyly are digital abnormalities in limb‐associated birth defects usually caused by genetic disorders. In this study, a five‐generation Chinese pedigree was found with triphalangeal thumb polysyndactyly syndrome (TPTPS), showing an autosomal dominant pattern of inheritance. We utilized linkage analysis and whole genome sequencing (WGS) for the genetic diagnosis of this pedigree. Linkage analysis was performed using a genome‐wide single nucleotide polymorphism (SNP) chip and three genomic regions were identified in chromosomes 2, 6, and 7 with significant linkage signals. WGS discovered a copy number variation (CNV) mutation caused by a large duplication region at the tail of chromosome 7 located in exons 1–5 of the LMBR1 gene, including the zone of polarizing activity regulatory sequence (ZRS), with a length of approximately 180 kb. A real‐time polymerase chain reaction (PCR) assay confirmed the duplication. The findings of our study supported the notion that large duplications including the ZRS caused TPTPS. Our study showed that linkage analysis in combination with WGS could successfully identify the disease locus and causative mutation in TPTPS, which could help elucidate the molecular mechanisms and genotype–phenotype correlations in polydactyly.
Die Evolution des Diels‐Alder‐Reaktionsmechanismus seit den 1930er Jahren: Woodward, Houk zusammen mit Woodward und der Einfluss der Computerchemie auf das Verständnis von Cycloadditionen
Authors: Houk Kendall N. , Liu Fang , Yang Zhongyue , Seeman Jeffrey I. 
Published: July 2020

AbstractDieser Aufsatz beschreibt die Entwicklung von Woodwards mechanistischem Denken, beginnend in den späten 1930er und frühen 1940er Jahren mit seinem Vorschlag eines Ladungsübertragungsmechanismus in der Diels‐Alder‐Reaktion, der zum zweistufigen konzertierten Woodward‐Katz‐Mechanismus und schließlich zur mechanistischen Lösung in Bezug auf die Orbitalsymmetrie führte. Houks Zeit in den Woodward‐Labors, in der diese Theorie getestet wurde, wird beschrieben. Nachfolgende moderne Rechnungen haben gezeigt, dass Woodward nicht nur den Cyclopentadien‐Dimerisierungsmechanismus perfekt beschrieben hatte, sondern auch eine neue Klasse von Übergangszuständen – ambimodale oder bispericyclische Übergangszustände. In den letzten Jahren fand Houks Gruppe heraus, dass ambimodale Reaktionen in der [6+4]‐Cycloaddition wirksam sind. Moleküldynamik‐Simulationen vieler Diels‐Alder‐ und ambimodaler Cycloadditionen liefern ein zeitaufgelöstes Bild davon, wie diese Reaktionen ablaufen. Den Schluss bildet eine Coda von Roald Hoffmann, in der er seine Freude ausdrückt, auf die Reise der Cycloadditionsgeschichte von Woodwards Jugend bis zu den heutigen rechnergestützten Simulationen mitgenommen zu werden.
Ferroelectricity‐Driven Self‐Powered Ultraviolet Photodetection with Strong Polarization Sensitivity in a Two‐Dimensional Halide Hybrid Perovskite
Authors: Ji Chengmin , Dey Dhananjay , Peng Yu , Liu Xitao , Li Lina , Luo Junhua 
Published: July 2020

AbstractPolarization‐sensitive ultraviolet (UV) photodetection is highly indispensable in military and civilian applications and has been demonstrated with various wide‐band photodetectors. However, it still remains elusive to achieve the self‐powered devices, which can be operated in the absence of external bias. Herein, for the first time, ferroelectricity‐driven self‐powered photodetection towards polarized UV light was successfully demonstrated in a 2D wide‐band gap hybrid ferroelectric (BPA)2PbBr4 (BPA=3‐bromopropylammonium) (1). We found that the prominent spontaneous polarization in 1 results in a bulk photovoltaic effect (BPVE) of 0.85 V, that independently drives photoexcited carriers separation and transport and thus supports self‐powered ability. This self‐powered detector shows strong polarization sensitivity to linearly polarized UV illumination with a polarization ratio up to 6.8, which is superior to that of previously reported UV‐polarized photodetectors (ZnO, GaN, and GeS2).
In Vitro Reconstitution Reveals a Central Role for the N‐Oxygenase PvfB in (Dihydro)pyrazine‐N‐oxide and Valdiazen Biosynthesis
Authors: Morgan Gina L. , Li Bo 
Published: July 2020

AbstractThe Pseudomonas virulence factor (pvf) operon is essential for the biosynthesis of two very different natural product scaffolds: the (dihydro)pyrazine‐N‐oxides and the diazeniumdiolate, valdiazen. PvfB is a member of the non‐heme diiron N‐oxygenase enzyme family that commonly convert anilines to their nitroaromatic counterparts. In contrast, we show that PvfB catalyzes N‐oxygenation of the α‐amine of valine, first to the hydroxylamine and then the nitroso, while linked to the carrier protein of PvfC. PvfB modification of PvfC‐tethered valine was observed directly by protein NMR spectroscopy, establishing the intermediacy of the hydroxylamine. This work reveals a central role for PvfB in the biosynthesis of (dihydro)pyrazine‐N‐oxides and valdiazen.
Quest for Zeolite‐like Supramolecular Assemblies: Self‐Assembly of Metal–Organic Squares via Directed Hydrogen Bonding
Authors: Li Jiantang , Kan Liang , Li Jiyang , Liu Yunling , Eddaoudi Mohamed 
Published: July 2020

AbstractOur conceived approach based on the directed assembly of functional metal–organic squares (MOSs), 4‐membered ring (4MR) building units, permitted the construction of two novel zeolite‐like supramolecular assemblies (ZSAs), namely [Co4(ImDC)4(En)4]⋅9 H2O⋅1.5 DMF (ZSA‐10) and [Co4(ImDC)4(En)4]⋅7 H2O (ZSA‐11) (H3ImDC=4,5‐imidazoledicarboxylic acid, En=ethylenediamine, DMF=N,N‐dimethylformamide). The elected MOSs encompass both trans‐ and cis‐coordinated nodes, offering complementary peripheral functional groups for their directed assembly into zeolite‐like topologies via supramolecular hydrogen bonding interactions. Distinctly, ZSA‐10 possesses the underling MER zeolite topology and is the only pure MER framework material (without any supporting templates) exhibiting permanent porosity up to now. ZSA‐11 has the underlying ABW topology together with one type of narrow channel.
Duale Funktionalisierung von Fluorophoren für die Konstruktion zielgerichteter und selektiver Fluoreszenz‐Sensoren
Authors: Trinh Natalie , Jolliffe Katrina A. , New Elizabeth J. 
Published: July 2020

AbstractEine Schlüsselfrage in der gegenwärtigen biologischen Forschung ist, welche Rolle gewisse Chemikalien und chemische Reaktionen im Zusammenhang mit dem regulären zellulären Betrieb, als auch mit zellulären Störungen spielen. Von den gebräulichen Imaging‐Verfahren bietet das Fluoreszenz‐Imaging den Vorteil, dass es die Balance zwischen Sensitivität und Auflösung hält, und somit die kosteneffiziente und rapide Visualisierung biologischer Modell‐Systeme ermöglicht. Insbesondere ist die Verwendung responsiver Fluoreszenz‐Sensoren in Verbindung mit der technisch immerzu fortschreitenden Mikroskopie‐ und Durchflusszytometrie‐Technik vorteilhaft: Sie ermöglicht die Visualisierung von spezifischen chemischen Spezies als auch von chemischen Reaktionen mit hoher raum‐zeitlicher Auflösung in lebenden Zellen. Ein idealer responsiver Fluoreszenz‐Sensor besteht aus einem Fluorophor, der mit einer Fühler‐Gruppe, die die Selektivität der Rückmeldung sicherstellt, und einer Zielausrichtungs‐Gruppe, die die sub‐zelluläre Lokalisierung des Sensors kontrolliert, ausgestattet ist. Bis dato sind Fluoreszenz‐Sensoren, die zielgerichtet und selektiv sind, relativ rar und die meisten dieser Sensoren werden eher durch Zufall als durch rationales Design entdeckt. Eine zentrale Herausforderung in diesem Forschungsgebiet ist daher die Identifizierung geeigneter Fluorophor‐Grundgerüste, die ohne Weiteres mit Fühler‐ und Zielausrichtungs‐Gruppen versehen werden können. In diesem Kurzaufsatz besprechen wir gegenwärtige Strategien zur dualen Funktionalisierung von Fluorophoren und heben Schlüsselbeispiele zielgerichteter, responsiver Sensoren hervor.
Responsive Four‐Coordinate Iron(II) Nodes in FePd(CN)4
Authors: Ohtani Ryo , Matsunari Hiromu , Yamamoto Takafumi , Kimoto Koji , Isobe Masaaki , Fujii Kotaro , Yashima Masatomo , Fujii Susumu , Kuwabara Akihide , Hijikata Yuh , Noro Shin‐ichiro , Ohba Masaaki , Kageyama Hiroshi , Hayami Shinya 
Published: July 2020

AbstractMetal node design is crucial for obtaining structurally diverse coordination polymers (CPs) and metal–organic frameworks with desirable properties; however, FeII ions are exclusively six‐coordinated. Herein, we present a cyanide‐bridged three‐dimensional (3D) CP, FePd(CN)4, bearing four‐coordinate FeII ions, which is synthesized by thermal treatment of a two‐dimensional (2D) six‐coordinate FeII CP, Fe(H2O)2Pd(CN)4⋅4 H2O, to remove water molecules. Atomic‐resolution transmission electron microscopy and powder X‐ray and neutron diffraction measurements revealed that the FePd(CN)4 structure is composed of a two‐fold interpenetrated PtS topology network, where the FeII center demonstrates an intermediate geometry between tetrahedral and square‐planar coordination. This four‐coordinate FeII center with the distorted geometry can act as a thermo‐responsive flexible node in the PtS network.
Current Status of COVID‐19 (Pre)Clinical Vaccine Development
Authors: Ye Tingting , Zhong Zifu , García‐Sastre Adolfo , Schotsaert Michael , De Geest Bruno G. 
Published: July 2020

AbstractThe current COVID‐19 pandemic has a tremendous impact on daily life world‐wide. Despite the ability to dampen the spread of SARS‐CoV‐2, the causative agent of the diseases, through restrictive interventions, it is believed that only effective vaccines will provide sufficient control over the disease and revert societal live back to normal. At present, a double‐digit number of efforts are devoted to the development of a vaccine against COVID‐19. Here, we provide an overview of these (pre)clinical efforts and provide background information on the technologies behind these vaccines. In addition, we discuss potential hurdles that need to be addressed prior to mass scale clinical translation of successful vaccine candidates.
Electrocatalytic Deuteration of Halides with D2O as the Deuterium Source over a Copper Nanowire Arrays Cathode
Authors: Liu Cuibo , Han Shuyan , Li Mengyang , Chong Xiaodan , Zhang Bin 
Published: July 2020

AbstractPrecise deuterium incorporation with controllable deuterated sites is extremely desirable. Here, a facile and efficient electrocatalytic deuterodehalogenation of halides using D2O as the deuteration reagent and copper nanowire arrays (Cu NWAs) electrochemically formed in situ as the cathode was demonstrated. A cross‐coupling of carbon and deuterium free radicals might be involved for this ipso‐selective deuteration. This method exhibited excellent chemoselectivity and high compatibility with the easily reducible functional groups (C=C, C≡C, C=O, C=N, C≡N). The C−H to C−D transformations were achieved with high yields and deuterium ratios through a one‐pot halogenation–deuterodehalogenation process. Efficient deuteration of less‐active bromide substrates, specific deuterium incorporation into top‐selling pharmaceuticals, and oxidant‐free paired anodic synthesis of high‐value chemicals with low energy input highlighted the potential practicality.
Enantioselective Synthesis of cis‐Decalin Derivatives by the Inverse‐Electron‐Demand Diels–Alder Reaction of 2‐Pyrones
Authors: Si Xu‐Ge , Zhang Zhi‐Mao , Zheng Cheng‐Gong , Li Zhan‐Ting , Cai Quan 
Published: July 2020

AbstractA novel strategy for the synthesis of cis‐decalins by an ytterbium‐catalyzed asymmetric inverse‐electron‐demand Diels–Alder reaction of 2‐pyrones and silyl cyclohexadienol ethers is reported here. A broad range of synthetically important cis‐decalin derivatives with multiple contiguous stereogenic centers and functionalities are obtained in good yields and stereoselectivities. A full set of diastereomeric substituted cis‐decalin motifs are readily accessible by tuning the absolute configurations of substituted silyl cyclohexadienol ethers (R or S) as well as the ligands (R or S). The synthetic potential is showcased by the enantioselective total synthesis of 4‐amorphen‐11‐ol, and further demonstrated by the first total synthesis of cis‐crotonin.
Designing AI‐Aided Analysis and Prediction Models for Nonprecious Metal Electrocatalyst‐Based Proton‐Exchange Membrane Fuel Cells
Authors: Ding Rui , Wang Ran , Ding Yiqin , Yin Wenjuan , Liu Yide , Li Jia , Liu Jianguo 
Published: July 2020

AbstractTraditionally, a larger number of experiments are needed to optimize the performance of the membrane electrode assembly (MEA) in proton‐exchange membrane fuel cells (PEMFCs) since it involves complex electrochemical, thermodynamic, and hydrodynamic processes. Herein, we introduce artificial intelligence (AI)‐aided models for the first time to determine key parameters for nonprecious metal electrocatalyst‐based PEMFCs, thus avoiding unnecessary experiments during MEA development. Among 16 competing algorithms widely applied in the AI field, decision tree and XGBoost showed good accuracy (86.7 % and 91.4 %) in determining key factors for high‐performance MEA. Artificial neural network (ANN) shows the best accuracy (R2=0.9621) in terms of predictions of the maximum power density and a decent reproducibility (R2>0.99) on uncharted I–V polarization curves with 26 input features. Hence, machine learning is shown to be an excellent method for improving the efficiency of MEA design and experiments.
Dual‐Functionalisation of Fluorophores for the Preparation of Targeted and Selective Probes
Authors: Trinh Natalie , Jolliffe Katrina A. , New Elizabeth J. 
Published: July 2020

AbstractA key current challenge in biological research is the elucidation of the that roles chemicals and chemical reactions play in cellular function and dysfunction. Of the available cellular imaging techniques, fluorescence imaging offers a balance between sensitivity and resolution, enabling the cost‐effective and rapid visualisation of model biological systems. Importantly, the use of responsive fluorescent probes in conjunction with ever‐advancing microscopy and flow cytometry techniques enables the visualisation, with high spatiotemporal resolution, of both specific chemical species and chemical reactions in living cells. Ideal responsive fluorescent probes are those that contain a fluorophore tethered to both a sensing unit, to ensure selectivity of response, and a targeting group, to control the sub‐cellular localisation of the probe. To date, probes that are both targeted and selective are relatively rare and most localised probes are discovered serendipitously rather than by design. A challenge in this field is therefore the identification of suitable fluorophore scaffolds that can be readily attached to both sensing and targeting groups. Here we review current strategies for dual‐functionalisation of fluorophores, highlighting key examples of targeted, responsive probes.
Multiple‐Color Platinum Complex with Super‐Large Stokes Shift for Super‐Resolution Imaging of Autolysosome Escape
Authors: Liu Liu‐Yi , Fang Hongbao , Chen Qixin , Chan Michael Ho‐Yeung , Ng Maggie , Wang Kang‐Nan , Liu Wenting , Tian Zhiqi , Diao Jiajie , Mao Zong‐Wan , Yam Vivian Wing‐Wah 
Published: July 2020

AbstractIt is of great significance to track the platinum drugs in real time with super‐resolution to elucidate their mechanism of action, such as their behavior and distribution in live cells. Such information is required for further drug development. However, it is always challenging to design platinum complexes suitable for such research. Herein, we design a luminescent building block (L) for metal complexes and a dinuclear platinum complex (Pt2L) for super‐resolution imaging. Because of its super‐large Stokes shift and excellent photophysical properties, Pt2L is capable of serving as an ideal candidate for super‐resolution imaging with extremely low luminescence background and high photobleaching resistance. Moreover, upon light stimulation, a matter flux of Pt2L escaping from autolysosomes to nucleus was observed, which represents a new transportation path. Utilizing the photoactivated escape properties, we can regulate the nuclear accessibility of Pt2L form autolysosomes with photo‐selectivity, which provides a new way to improve the targeting of platinum drugs.
A Dearomatization/Debromination Strategy for the [4+1] Spiroannulation of Bromophenols with α,β‐Unsaturated Imines
Authors: Ge Yicong , Qin Cheng , Bai Lu , Hao Jiamao , Liu Jingjing , Luan Xinjun 
Published: July 2020

AbstractA novel [4+1] spiroannulation ofo‐ &p‐bromophenols with α,β‐unsaturated imines has been developed for the direct synthesis of a new family of azaspirocyclic molecules. Notably, several other halophenols (X=Cl, I) were also applicable for this transformation. Moreover, a catalytic asymmetric version of the reaction was realized with 1‐bromo‐2‐naphthols by using a chiral ScIII/Py‐Box catalyst. Mechanistic studies revealed that this domino reaction proceeded through electrophile‐triggered dearomatization of phenol derivatives at their halogenated positions and followed by halogen‐displacement withN‐nucleophiles via a radical‐based SRN1 mechanism.
A Synergistic Enhancement Strategy for Realizing Ultralong and Efficient Room‐Temperature Phosphorescence
Authors: Zhang Zhi‐Yuan , Xu Wen‐Wen , Xu Wen‐Shi , Niu Jie , Sun Xiao‐Han , Liu Yu 
Published: July 2020

AbstractAn enhancement strategy is realized for ultralong bright room‐temperature phosphorescence (RTP), involving polymerization between phosphor monomers and acrylamide and host–guest complexation interaction between phosphors and cucurbit[6,7,8]urils (CB[6,7,8]). The non‐phosphorescent monomers exhibit 2.46 s ultralong lifetime after copolymerizing with acrylamide. The improvement is due to the rich hydrogen bond and carbonyl within the polymers which promote intersystem crossing, suppress nonradiative relaxation and shield quenchers effectively. By tuning the ratio of chromophores, a series of phosphorescent copolymers with different lifetimes and quantum yields are prepared. The complexation of macrocyclic hosts CB[6,7,8] promote the RTP of polymers by blocking aggregation‐caused quenching, and offsetting the losses of aforementioned interaction provided by polymer. Multiple lifetime‐encoding for digit and character encryption are achieved by utilizing the difference of their lifetimes.
Pendant Alkoxy Groups on N‐Aryl Substitutions Drive the Efficiency of Imidazolylidene Catalysts for Homoenolate Annulation from Enal and Aldehyde
Authors: Kyan Ryuji , Sato Kohei , Mase Nobuyuki , Narumi Tetsuo 
Published: July 2020

AbstractHydrogen‐transfer in the tetrahedral intermediate generated from an imidazolylidene catalyst and α,β‐unsaturated aldehyde forms a conjugated Breslow intermediate. This is a critical step affecting the efficiency of the NHC‐catalyzed γ‐butyrolactone formation via homoenolate addition to aryl aldehydes. A novel type of imidazolylidene catalyst with pendant alkoxy groups on the ortho‐N‐aryl groups is described. Catalyst of this sort facilitates the formation of the conjugated Breslow intermediate. Studies of the rate constants for homoenolate annulation affording γ‐butyrolactones, reveal that introduction of the oxygen atoms in the appropriate position of the N‐aryl substituents can increase the efficiency of imidazolylidene catalysts. Structural and mechanistic studies revealed that pendant alkoxy groups can be located close to the proton of the tetrahedral intermediate, thereby facilitating the proton transfer.
α‐FeOOH−MoO3 Nanorod for Effective Photo‐Fenton Degradation of Dyes and Antibiotics at a Wide Range of pH
Authors: Xing Wenxin , Zhou Liang , Chen Bin , Lei Juying , Wang Lingzhi , Zhang Jinlong 
Published: July 2020

AbstractIt's highly significant to develop a novel catalyst, which can be active at a wide range of pH, for an effective photo‐Fenton reaction. In this work, α‐FeOOH−MoO3 nanorod was prepared by a one‐step hydrothermal method and applied in photo‐Fenton degradation of organic pollutants. Benefit from the electron migration mechanism of Z‐scheme and excellent photoelectric performance, the catalyst exhibited superior photo‐Fenton activity in degradation of organic pollutants. In addition, the catalyst holds good stability after 5 recycles. These results demonstrated that this catalyst has wide application prospect in organic wastewater treatment.
Exosomal LINC01005 derived from oxidized low‐density lipoprotein‐treated endothelial cells regulates vascular smooth muscle cell phenotypic switch
Authors: Zhang Zhiliang , Yi Dasong , Zhou Jiamin , Zheng Yaofu , Gao Zhiming , Hu Xiaoliang , Ying Guoqiu , Peng Xiaoping , Wen Tong 
Published: July 2020

AbstractPhenotype switch of vascular smooth muscle cells (VSMCs) plays an important role in the development of atherosclerosis (AS). Endothelial cells can regulate VSMC phenotypic switch by secreting exosomes, crucial mediators of intracellular communication. This study aimed to determine whether exosomal LINC01005 from oxidized low‐density lipoprotein (ox‐LDL)‐treated human umbilical vein endothelial cells (HUVECs) plays a role in regulating VSMC phenotypic switch and to validate the underlying molecular mechanism. Exosomes were extracted from ox‐LDL‐treated HUVECs (ox‐LDL‐Exo) and then administered into VSMCs. VSMC phenotypic switch was assessed by determining VSMC phenotypic markers using western blot. VSMC cell proliferation and migration were evaluated by 3‐(4,5‐dimethylthiazol‐2‐yl)‐2,5‐diphenyltetrazolium bromide (MTT) assay and wound healing assay, respectively. The interaction between miR‐128‐3p and LINC01005 or Krüppel‐like factor 4 (KLF4) was analyzed by luciferase reporter assay. ox‐LDL‐Exo contained high expression of LINC01005. Inhibition of LINC01005 expression in ox‐LDL‐Exo abrogated the ox‐LDL‐Exo‐induced VSMC phenotypic switch, proliferation, and migration. Furthermore, LINC01005 acted as a sponge of miR‐128‐3p to upregulate KLF4 expression. Moreover, miR‐128‐3p overexpression and KLF4 silencing in VSMCs attenuated the ox‐LDL‐Exo‐induced VSMC phenotypic switch, proliferation, and migration. Collectively, exosomal LINC01005 from ox‐LDL‐treated HUVECs promotes VSMC phenotype switch, proliferation, and migration by regulating the miR‐128‐3p/KLF4 axis.
Biocompatibility of Biomaterials for Tissue Regeneration or Replacement
Authors: Raut Hemant Kumar , Das Rupambika , Liu Ziqian , Liu Xiaoling , Ramakrishna Seeram 
Published: July 2020

AbstractEmerging biomaterials for tissue engineering applications witness a multitude of interaction (both along their interface and internally) with human tissue. Insufficient consideration of the spatial and temporal aspects of these biomaterial‐tissue interactions often raise biocompatibility concerns. This review focuses on strategies implemented in some of the recently developed biomaterials—particularly for soft and hard tissue regeneration or replacement—to overcome potential foreign body response and ensure effective functioning of the biomaterial.