bluuebunny/crossref_metadata_2025 huggingface dataset:
Related Factors for Sensitivity to the Initial Dose of Intravenous Immunoglobulin in Children with Kawasaki Disease
Authors: Li Xiaoxiao , Luo Lingling , Jiang Jinbiao , Pan Danfeng
Published: March 2022

Background: Kawasaki disease (KD) involves systemic medium- and small-vessel vasculitides, manifested as acute fever and rash. Objectives: To investigate the factors for sensitivity to the initial dose of intravenous immunoglobulin (IVIG) in children with KD. Methods: Clinical data of 222 KD children were retrospectively analyzed. Based on the response to the initial IVIG dose, they were divided into sensitivity and non-response groups. Clinical manifestations, laboratory results, and echocardiographic characteristics were compared between the study groups, and indicators with a significant difference were explored by logistic regression analysis. Receiver operating characteristic (ROC) curves were plotted using independent factors to determine the indicators for non-response. Results: Of 222 children, 181 (81.53%) were in the sensitivity group and 41 (18.47%) in the non-response group. The incidence rates of ultra-hyperpyrexia and coronary artery disease in the non-response group were significantly higher than that of the sensitivity group (P < 0.05). The percentage of neutrophils, platelet count, and C-reactive protein (CRP) level were higher, and the albumin (ALB) level was lower in the non-response group than that of the sensitivity group (P < 0.05). Increased neutrophil percentage and CRP level, as well as reduced ALB level, were independent risk factors for non-response (P < 0.05). Based on the areas under ROC curves, neutrophil percentage, CRP, and ALB were valuable predictors of non-response, and the cut-off values were 0.725, 78.43 mg/L, and 32.89 g/L, respectively. Conclusions: Pediatricians should pay attention to possible non-response to the initial dose of IVIG in KD children with the neutrophil percentage of ≥ 0.725, CRP ≥ 78.43 mg/L, or ALB ≤ 32.89 g/L.
Novel 2-(Diphenylmethylidene) Malonic Acid Derivatives as Anti-HIV Agents: Molecular Modeling, Synthesis and Biological Evaluation
Authors: Lotfaliei Mehrnaz , Rezaee Elham , Hajimahdi Zahra , Mahboubi Rabbani Mohammad , Zabihollahi Rezvan , Aghasadeghi Mohammad Reza , Tabatabai Sayyed Abbas
Published: March 2022

: HIV, the virus that causes AIDS (acquired immunodeficiency syndrome), is one of the world's most severe health and development challenges. In this study, a novel series of 2-(diphenyl methylidene) malonic acid derivatives were designed as triple inhibitors of HIV reverse transcriptase, integrase, and protease. Docking models revealed that the target compounds have appropriate affinities to the active sites of the three HIV key enzymes. The synthesized malonic acid analogs were evaluated for their activities against the HIV virus (NL4-3) in HeLa cells cultures. Among them, compound 3 was the most potent anti-HIV agent with 55.20% inhibition at 10 μM and an EC50 of 8.4 μM. Interestingly, all the synthesized compounds do not show significant cytotoxicity at a concentration of 10 μM. As a result, these compounds may serve as worthy hits for the development of novel anti-HIV-agents.
YouTube as a Source of Information About Physical Exercise During COVID-19 Outbreak
Authors: Vancini Rodrigo Luiz , Borges Viana Ricardo , dos Santos Andrade Marilia , Andre Barbosa de Lira Claudio , Theodoros Nikolaidis Pantelis , Aparecido de Almeida Alexandre , Knechtle Beat
Published: March 2022

Context: Physical inactivity levels in the course of the corona virus disease 2019 (COVID-19) outbreak increased significantly. Our aim was to address how the information related to the physical exercise and COVID-19 posted on YouTube reaches the general public during COVID-19 outbreak. Evidence Acquisition: For this, research was carried out crossing the terms covid 19 and physical exercise in the YouTube database. The search was conducted only in the English language and was established/closed on April 26th (2020) to June 26th (2020) in order to observe the dynamics of video production on YouTube. Results: The main terms and concepts mentioned in the analysis of YouTube videos were COVID-19, pandemic, quarantine, social isolation and distance, physical activity, physical exercise, home-based physical exercise, physical inactivity, sedentary lifestyle, and mental health. The information was posted and supported by renowned health and physical exercise experts and entities. The recommendations for physical exercise in the current scenario focused on programs that require little equipment and space (carried out indoors and at home) and at low cost in an attempt to maintain and improve physical and mental health from different population groups. Conclusions: Information about COVID-19 and exercise was growing and progressive throughout the pandemic on YouTube. However, care and guidance are needed in using the information provided by YouTube as a source of reference for the practice of physical exercise during the COVID-19 outbreak.
Espaços da Ciência no Brasil: 1800-1930
Authors: Dantes Maria Amélia M.
Published: March 2022

Resultado de extensa pesquisa que valoriza a historiografia da ciência no país, discute o papel das instituições que abrigaram práticas científicas desde o período colonial. Analisam-se, na obra, o percurso e a atuação de instituições como o Jardim Botânico, a Faculdade de Medicina e a Academia Brasileira de Ciências, no Rio de Janeiro, e os Institutos Butantan e Adolfo Lutz, em São Paulo. Este livro propõe novas questões, que partem de espaços institucionais fundadores de uma tradição científica para ampliar os estudos em história da ciência, constituindo importante fonte de pesquisa.
Editorial: Emancipatory Ways of Feeling (the Body as a Subversive Project)
Authors: Bernasconi Renato
Published: March 2022

Esta editorial pretende hacer un aporte al programa ―abierto― del diseño somático trayendo a colación dos momentos de quiebre en la concep­ción dualista mente/cuerpo. Primero ―a través de la lectura feminista de Moira Gatens―, se hacen explícitas ciertas ideas formuladas por Baruch Spinoza, implí­citas en el diseño somático, con énfasis en las referidas a la apertura radical del cuerpo (a la interrelación con otros cuerpos) y a las capacidades del cuerpo como objeto capaz de expandir y actualizar su propio poder. En segundo lugar ―a través de Georges Vigarello―, se destacan algunos postulados desarrollados por Denis Diderot en relación a los sentidos y la epistemología encarnada, que allanaron el camino para que hoy nos ocupemos de la manera en que los modos de percepción del cuerpo inciden en la percepción de nosotros mismos y, por ende, en nuestro sentimiento de identidad. Estos momentos de quiebre son ligados a la emer­gencia de una ética emancipadora, comprometida con la pluralidad de los cuerpos. Finalmente, se hace un llamado a promover el ímpetu rebelde del cuerpo a través de métodos somáticos que reconozcan las variadas formas opresivas y discipli­nadas de sentir, así como las relaciones de poder inscritas en la fenomenología de la experiencia corporal.
Financial Geography
Authors: Lai Karen P.Y.
Published: March 2022

Financial geography is concerned with the roles of finance, money, and markets in the restructuring of contemporary capitalism, and how these changes have uneven impacts across space. Studies focus on the ways in which space and place are mobilized in shaping financial decisions, allocation of capital, regulatory frameworks of global financial markets, and development of onshore and offshore financial centers. An early political economy approach to regulation of international financial markets is later complemented by more social and cultural explanations and network approaches for analyzing the persistence and increasing importance of international financial centers as strategic basing points for global capital. Scales of analyses range from global frameworks and national financial markets to industry processes and household behavior. While much of the financial geography literature has concentrated on Anglo‐American economies, recent research highlights the increasing significance of emerging economies and financial networks such as sovereign wealth funds, Islamic finance, green finance, and FinTech.
GeoAI and Its Implications
Authors: Sieber Renee
Published: March 2022

Artificial Intelligence (AI) has emerged as a major analytical method in geography, aided by advancements in computational power, software architectures, sensing hardware, and the emergence of big data and volunteered geographic information. This entry briefly covers the history of AI in geography. This includes potential applications of geospatial AI or GeoAI, such as predictive modeling for health and neighborhoods, transportation monitoring, land use, and cartography. The inclusion of AI in geographic methods must engage with ongoing debates on opacity and transferability, algorithmic bias, geosurveillance and locational privacy, as well as the need for AI ethics.
Commons
Authors: Gyuris Ferenc
Published: March 2022

The commons are those goods and resources that are not privately owned and governed. The term originates from institutional economics classifying goods along the lines of consumption rivalry and consumers' excludability. In the Cold War period, commons were widely regarded as insufficiently managed, prone to overuse, and thus subject to either privatization or nationalization. However, from the late twentieth century they have been increasingly considered environmentally and socially more sustainable – and more equitable – than private goods. This conceptual shift has led to the emergence of a vivid academic domain called commons research, which increasingly employs political economy frameworks to reveal the socially constructed and power‐laden nature of the commons. In addition to the traditional environmental commons, a rich literature has emerged about the social commons, especially the digital, urban, and knowledge commons. Commons research pays increasing attention to the spatial dimension, including scrutinizing the relational and socially constructed spaces and scales of the commons.
Industrial Districts: Past, Present, and Future
Authors: Balduzzi Giacomo
Published: March 2022

Since the 1970s, Industrial Districts (IDs) have emerged as a socioeconomic concept to describe and explain territorial phenomena characterized by an industrial specialization alongside cooperative relationships between enterprises, local institutions, and social forces. A number of empirical studies have highlighted many aspects that have contributed to the development of IDs, including labor market, training, and family structures, often linked to the rural footprint and its various forms of persistence, not to mention associations, trade union relations, institutions, and local banks. Transformations in global systems do not cancel IDs; rather they radically transform and adapt themselves to face new conditions and challenges. The process of territorial institutionalization, in its development in time and space, does not seem to be ended, but rather
endless
.
Enhanced Capacitive Deionization Exploiting Novel Functionalized Graphene Oxide Electrodes
Authors: Pedico Alessandro , Bocchini Sergio , Tresso Elena , Lamberti Andrea
Published: March 2022

In this study, a novel functionalized graphene oxide (fGO) is proposed for application in water desalination. The fGO is obtained with a simple and scalable method. Pristine GO is functionalized with (2‐(acryloyloxy)ethyl)trimethylammonium through a two‐step functionalization. Then, it is mixed with activated carbon and coated onto a metallic current collector. Material characterization techniques such as electron microscopy, thermal analyses, and infrared spectroscopy are employed to study the physical and chemical structures of the proposed materials. This process provides a porous electrode useful for capacitive deionization (CDI). The desalination performance is compared to the performance of bare activated carbons, showing a remarkable improvement. The final device reaches a value of around 17 mg g‐1 of salt removal, with a charge efficiency of 98%. The findings from this study lay the groundwork for future research, contributing in increasing the existing knowledge on materials for CDI.
Design Strategy of Highly Efficient Nonlinear Optical Orange‐Colored Crystals with Two Electron‐Withdrawing Groups
Authors: Kim Seung-Jun , Kim Se-In , Jazbinsek Mojca , Yoon Woojin , Yun Hoseop , Kim Dongwook , Yu In Cheol , Rotermund Fabian , Kwon O-Pil
Published: March 2022

A new class of highly efficient nonlinear optical organic salt crystals is reported. In nonlinear optics based on organic materials, it is well known that using two electron‐withdrawing groups (EWGs) onto cationic electron acceptors instead of conventional one EWG remarkably enhances microscopic optical nonlinearity for chromophores. However, the corresponding organic crystals possessing enhanced large macroscopic optical nonlinearity have not been reported yet. Herein, a design strategy is proposed for obtaining highly efficient nonlinear optical crystals based on two EWGs in cationic electron acceptors. Introducing a phenolic electron donor, promoting a head‐to‐tail interionic assembly, along with a two‐EWG N‐pyrimidinyl pyridinium electron acceptor in cationic chromophores results in a preferred non‐centrosymmetric, perfectly parallel alignment of chromophores in crystal. Newly designed OPR (4‐(4‐hydroxystyryl)‐1‐(pyrimidin‐2‐yl)pyridinium) crystals exhibit approximately two times larger effective first hyperpolarizability than that of analogous N‐alkyl OHP (4‐(4‐hydroxystyryl)‐1‐methylpyridinium) crystals based on only one EWG. OPR crystals exhibit comparable second‐order optical nonlinearity to benchmark red‐colored DAST (4‐(4‐(dimethylamino)styryl)‐1‐methylpyridinium 4‐methylbenzenesulfonate) crystals, but a significant blue‐shifted absorption resulting in orange‐color crystals. Therefore, phenolic organic salt crystals using two EWGs are highly promising materials for various nonlinear optical applications.
Iridium(III) Phosphors–Bearing Functional 9‐Phenyl‐7,9‐dihydro‐8H‐purin‐8‐ylidene Chelates and Blue Hyperphosphorescent OLED Devices
Authors: Jin Jibiao , Zhu Zelin , Yan Jie , Zhou Xiuwen , Cao Chen , Chou Pi-Tai , Zhang Ye-Xin , Zheng Zhong , Lee Chun-Sing , Chi Yun
Published: March 2022

Herein, a series of blue‐emitting Ir(III) phosphors is reported based on the cyclometalating N‐heterocyclic carbenes (NHCs), in which the typical benzimidazolylidene entity is now replaced by a new 7,9‐dihydro‐8H‐purin‐8‐ylidene unit. The two extra‐nitrogen atoms of benzimidazolylidene entity that are successfully fined turn the emission to the true‐blue region. As the proof of concept, both experimental measurement and theoretical calculation of these emitters are conducted, revealing high photoluminescence quantum yields up to 92%, peak maximum located in the region 420–490 nm, and radiative lifetime lower than 1 μs, depending on their stereochemical configuration (i.e., meridional or facial), together with distinctive phenyl cyclometalating appendage. Their photophysical characteristics are among the best of carbene‐based Ir(III) blue phosphors. Blue phosphorescent organic light‐emitting diode (OLED) using one representative derivative m‐2tBu as sole dopant emitter achieves a high external quantum efficiency (EQE) up to 17.0%, and a small efficiency roll‐off of 16% at 1000 cd m−2. Furthermore, a true‐blue hyperphosphorescent OLED with 25 wt% of m‐2tBu as sensitizer and 2 wt% of N7,N7,N13,N13,5,9,11,15‐octaphenyl‐5,9,11,15‐tetrahydro‐5,9,11,15‐tetraaza‐19b,20b‐diboradinaphtho[3,2,1‐de:1′,2′,3′‐jk]pentacene‐7,13‐diamine (ν‐DABNA) as emitter is also fabricated, giving excellent performance with maximum EQE up to 22.0% and Commission Internationale de l’Éclairage (CIE)xy coordinates of (0.120, 0.155).
Protecting Group‐Controlled Regioselective Synthesis for Unsymmetrical 3,5‐Disubstituted Pyridones
Authors: Kwon Yong‐Ju , Kim Won‐Suk
Published: March 2022

Protecting group‐controlled regioselective functionalization of 3,5‐dibromo‐2‐pyridones has been studied for preparation of unsymmetrical 3,5‐disubstituted 2‐pyridones. A bulky di‐tert‐butyl(isobutyl)silyl (BIBS) group was utilized for C5 regioselective arylation in Suzuki‐Miyaura reactions. Meanwhile, the p‐toluenesulfonyl (Ts) group was used to maximize C3 selective halogen‐lithium exchange employing flow chemistry. Most of the reactions proceeded well, with yields of 76 to 95% and excellent regioselectivity. A one‐pot synthesis of unsymmetrical 3,5‐diaryl‐2‐pyridones starting from 3,5‐dibromo‐2‐silyloxypyridine was conducted to demonstrate the practical convenience. Further functionalization onto the remaining bromine group, such as transition metal‐catalyzed C−C and C−N bond‐forming reactions and retro‐Brook rearrangement for C−Si bond formation, was accomplished for synthesis of biologically relevant 3,5‐disubstituted 2‐pyridones. Finally, amrinone and milrinone, commonly used for congestive heart failure, were synthesized in three steps from 3,5‐dibromo‐2‐pyridones in 41% and 56% overall yields, respectively.

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Synthesis of 3,3′‐Disubstituted Isobenzofuran‐1(3H)‐Ones via Cs0.5H2.5PW12O40‐Catalyzed Difunctionalization of Carbonyls
Authors: Liu Yu‐Feng , Cao Gang‐Ming , Chen Lei , Li Ke , Lin Xiao‐Ling , Xu Xin‐Xin , Le Zhang‐Gao , Yang Guo‐Ping
Published: March 2022

We reported a method for the synthesis of 3,3′‐disubstituted isobenzofuran‐1(3H)‐ones via the carbonyl difunctionalization of 2‐acylbenzoic acids. A range of nucleophiles was reacted with 2‐acylbenzoic acids to furnish the functionalized isobenzofuran‐1(3H)‐ones with the factual yield range of 61–96%. The reaction uses Cs0.5H2.5PW12O40 as a catalyst and produces water as the sole by‐product. Various functional groups could be introduced to the isobenzofuran‐1(3H)‐one skeletons via the C−P/C−N/C−O/C−C bond formation, which would provide opportunities for the synthesis of potential biologically active molecules. Based on the preliminary experiments, a plausible mechanism is proposed.

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Recent Advances in Organocatalytic Enantioselective Synthesis of Axially Chiral Allenes
Authors: Wang Xing , Chen Xuling , Lin Wei , Li Pengfei , Li Wenjun
Published: March 2022

Axially chiral allenes occur on a wide range of natural products and synthetic molecules with significant biological activity. Furthermore, they are versatile building blocks in organic synthesis because of their inherent chemical properties. Accordingly, catalytic enantioselective synthesis of axially chiral allenes has been paid much attention. Benefited from the development of asymmetric organocatalysis, many simple and efficient methods in terms of different catalytic systems as well as reaction partners have been developed. This review will focus on the recent progress in the field of organocatalytic enantioselective synthesis of allenes (2000–2022), which is organized according to types of allenes and the catalyst system used.

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Scaled, Ferroelectric Memristive Synapse for Back‐End‐of‐Line Integration with Neuromorphic Hardware
Authors: Bégon‐Lours Laura , Halter Mattia , Puglisi Francesco Maria , Benatti Lorenzo , Falcone Donato Francesco , Popoff Youri , Dávila Pineda Diana , Sousa Marilyne , Offrein Bert Jan
Published: March 2022

Ohmic, memristive synaptic weights are fabricated with a back‐end‐of‐line compatible process, based on a 3.5 nm HfZrO4 thin film crystallized in the ferroelectric phase at only 400 °C. The current density is increased by three orders of magnitude compared to the state‐of‐the‐art. The use of a metallic oxide interlayer, WOx, allows excellent retention (only 6% decay after 106 s) and endurance (1010 full switching cycles). The On/Off of 7 and the small device‐to‐device variability (<5%) make them promising candidates for neural networks inference. The synaptic functionality for online learning is also demonstrated: using pulses of increasing (resp. constant) amplitude and constant (resp. increasing) duration, emulating spike‐timing (resp. spike‐rate) dependent plasticity. Writing with 20 ns pulses only dissipate femtojoules. The cycle‐to‐cycle variation is below 2%. The training accuracy (MNIST) of a neural network is estimated to reach 92% after 36 epochs. Temperature‐dependent experiments reveal the presence of allowed states for charge carriers within the bandgap of hafnium zirconate. Upon polarization switching, the screening of the polarization by mobile charges (that can be associated with oxygen vacancies and/or ions) within the ferroelectric layer modifies the energy profile of the conduction band and the bulk transport properties.
Would farmers benefit from removing more land from production in the next farm bill?
Authors: Hendricks Nathan P.
Published: March 2022

Do farmers benefit more from Farm Bill programs like Agriculture Risk Coverage (ARC) and Price Loss Coverage (PLC) or payments to remove land from production? I estimate the benefits to farmers from these programs for corn, soybeans, and wheat. I find that ARC and PLC give larger net benefits to producers for the same government expenditures. Furthermore, paid diversions primarily benefit landowners, while harming tenants and input suppliers. While paid diversions can provide environmental benefits, farm groups are unlikely to support a significant expansion.
Advances of Metal Oxide Composite Cathodes for Aqueous Zinc‐Ion Batteries
Authors: Kumankuma-Sarpong James , Guo Wei , Fu Yongzhu
Published: March 2022

Aqueous zinc‐ion batteries (AZIBs) lately garner a lot of interest and are viewed as a promising energy storage technology due to their low cost, eco‐friendliness, and exceptional safety. Crystal metal oxide cathode research has advanced significantly in recent years, making AZIBs a viable choice for low‐cost grid storage applications. However, the readily available (Mn‐ and V‐based oxides) electrode materials suffer from instability and low conductivity. As a consequence, extensive study efforts are dedicated into the development and evaluation of high‐performance cathode systems. Herein, advanced composite cathodes with modified structures are reviewed in an attempt to increase capacity and cycle life. The Mn‐ and V‐based composite framework with polymer template, graphene, and MXene induces electric conductivity, improved lattice spacing, and tunable characteristics, as well as possible benefits for overcoming the redox kinetics and stability constraints for AZIBs. As a result, rational modification of the metal oxides as well as the production of composites shows promise in solving problems and improving cathode performance in high‐performance AZIBs.
Hair phenotype diversity across Indriidae lemurs
Authors: Tapanes Elizabeth , Jacobs Rachel L. , Harryman Ian , Louis Edward E. , Irwin Mitchell T. , Kamilar Jason M. , Bradley Brenda J.
Published: March 2022

Objectives

Hair (i.e., pelage/fur) is a salient feature of primate (including human) diversity and evolution—serving functions tied to thermoregulation, protection, camouflage, and signaling—but wild primate pelage evolution remains relatively understudied. Specifically, assessing multiple hypotheses across distinct phylogenetic scales is essential but is rarely conducted. We examine whole body hair color and density variation across Indriidae (Avahi, Indri, Propithecus)—a lineage that, like humans, exhibits vertical posture (i.e., their whole bodies are vertical to the sun).

Materials and methods

Our analyses consider multiple phylogenetic scales (family‐level, genus‐level) and hypotheses (e.g., Gloger's rule, the body cooling hypotheses). We obtain hair color and density from museum and/or wild animals, opsin genotypes from wild animals, and climate data from WorldClim. To analyze our data, we use phylogenetic generalized linear mixed models (PGLMM) using Markov chain Monte Carlo algorithms.

Results

Our results show that across the Indriidae family, darker hair is typical in wetter regions. However, within Propithecus, dark black hair is common in colder forest regions. Results also show pelage redness increases in populations exhibiting enhanced color vision. Lastly, we find follicle density on the crown and limbs increases in dry and open environments.

Discussion

This study highlights how different selective pressures across distinct phylogenetic scales have likely acted on primate hair evolution. Specifically, our data across Propithecus may implicate thermoregulation and is the first empirical evidence of Bogert's rule in mammals. Our study also provides rare empirical evidence supporting an early hypothesis on hominin hair evolution.
Non‐binary Encoded Nucleic Acid Barcodes Directly Readable by a Nanopore
Authors: Yan Shuanghong , Wang Liying , Wang Yuqin , Cao Zhenyuan , Zhang Shanyu , Du Xiaoyu , Fan Pingping , Zhang Panke , Chen Hong‐Yuan , Huang Shuo
Published: March 2022

A large collection of unique molecular barcodes is useful in the simultaneous sensing or screening of molecular analytes. Though the sequence of DNA has been widely applied to encode for molecular barcodes, decoding of these barcodes is normally assisted by sequencing. We here demonstrate a barcode system based solely on self‐assembly of synthetic nucleic acids and direct nanopore decoding. Each molecular barcode is composed of “n” distinct information nodes in a non‐binary manner and can be sequentially scanned and decoded by a Mycobacterium smegmatis porin A (MspA) nanopore. Nanopore events containing step‐shaped features were consistently reported. 14 unique information nodes were developed which in principle could encode for 14n unique molecular barcodes in a barcode containing “n” information nodes. These barcode probes were adapted to detect different antibody proteins or cancer‐related microRNAs, suggesting their immediate application in a wide variety of sensing applications.
Enantio‐ and Diastereoselective Copper‐Catalyzed Allylboration of Alkynes with Allylic gem‐Dichlorides
Authors: Chaves‐Pouso Andrea , Álvarez‐Constantino Andrés M. , Fañanás‐Mastral Martín
Published: March 2022

Allylic gem‐dichlorides are shown to be efficient substrates for catalytic asymmetric allylboration of alkynes. The method employs a chiral NHC−Cu catalyst capable of generating in a single step chiral skipped dienes bearing a Z‐alkenyl chloride, a trisubstituted E‐alkenyl boronate and a bis‐allylic stereocenter with excellent levels of chemo‐, regio‐ enantio‐ and diastereoselectivity. This high degree of functionalization makes these products versatile building blocks as illustrated with the synthesis of several optically active compounds. DFT calculations support the key presence of a metal cation bridge ligand–substrate interaction and account for the stereoselectivity outcome.
Yttrium‐Catalyzed ortho‐Selective C−H Borylation of Pyridines with Pinacolborane
Authors: Luo Yuncong , Jiang Shengjie , Xu Xin
Published: March 2022

This work reports a site‐selective C−H borylation of pyridines at the ortho‐position with pinacolborane enabled by an yttrocene catalyst. The reaction provides a new family of 2‐pyridyl boronates with a broad substrate scope and high atom efficiency. The resultant boronates were able to undergo a variety of transformations, e.g., oxidation, Suzuki–Miyaura coupling, Chan–Lam amination and etherification. Catalytic intermediates, including ortho‐C−H metalated and borylated complexes, were isolated from stoichiometric experiments and confirmed by single‐crystal X‐ray diffraction.
A General Design Strategy Enabling the Synthesis of Hydrolysis‐Resistant, Water‐Stable Titanium(IV) Complexes
Authors: Koller Angus J. , Saini Shefali , Chaple Ivis F. , Joaqui‐Joaqui M. Andrey , Paterson Brett M. , Ma Michelle T. , Blower Philip J. , Pierre Valérie C. , Robinson Jerome R. , Lapi Suzanne E. , Boros Eszter
Published: March 2022

Despite its prevalence in the environment, the chemistry of the Ti4+ion has long been relegated to organic solutions or hydrolyzed TiO2polymorphs. A knowledge gap in stabilizing molecular Ti4+species in aqueous environments has prevented the use of this ion for various applications such as radioimaging, design of water‐compatible metal–organic frameworks (MOFs), and aqueous‐phase catalysis applications. Herein, we show a thorough thermodynamic screening of bidentate chelators with Ti4+in aqueous solution, as well as computational and structural analyses of key compounds. In addition, the hexadentate analogues of catechol (benzene‐1,2‐diol) and deferiprone (3‐hydroxy‐1,2‐dimethyl‐4(1H)‐pyridone), TREN‐CAM and THPMerespectively, were assessed for chelation of the45Ti isotope (t1/2=3.08 h, β+=85 %, Eβ+=439 keV) towards positron emission tomography (PET) imaging applications. Both were found to have excellent capacity for kit‐formulation, and [45Ti]Ti‐TREN‐CAM was found to have remarkable stability in vivo.
Iridium‐Catalyzed C(sp3)−H Borylation Using Silyl‐Bipyridine Pincer Ligands
Authors: Kawazu Ryohei , Torigoe Takeru , Kuninobu Yoichiro
Published: March 2022

New ligands for the iridium‐catalyzed C(sp3)−H borylation of aliphatic compounds were established. In sharp contrast to 6‐methyl‐2,2′‐bipyridine and 6‐isobutyl‐2,2′‐bipyridine, 2,2′‐bipyridine and 1,10‐phenanthroline derivatives bearing a hydrosilylmethyl group (which would give a thermally stable NNSi pincer complex) served as suitable ligands for the reaction. Among them, a phenanthroline‐based NNSi pincer ligand was shown to be an excellent ligand, and various aliphatic compounds were efficiently converted to the corresponding borylated products using the Ir/NNSi pincer catalyst system. The NNSi pincer ligand showed unique selectivity and enabled the iridium‐catalyzed C(sp3)−H borylation using pinacolborane [H−B(pin)] instead of B2(pin)2. The formation of an iridium complex bearing a quinoline‐based NNSi pincer ligand from [IrCl(cod)]2 was observed, and the catalytic activity of the complex was demonstrated.
Palladium‐Catalyzed Silylacylation of Allenes Using Acylsilanes
Authors: Inagaki Tetsuya , Sakurai Shun , Yamanaka Masahiro , Tobisu Mamoru
Published: March 2022

We have developed a palladium‐catalyzed addition of a C−Si bond of acylsilanes across a range of unactivated allenes. The reaction proceeds with complete regioselectivity, in which a silyl group binds to the central carbon of the allene, allowing for the straightforward access to functionalized alkenylsilane derivatives.
An Acid‐Regulated Self‐Blinking Fluorescent Probe for Resolving Whole‐Cell Lysosomes with Long‐Term Nanoscopy
Authors: Qiao Qinglong , Liu Wenjuan , Chen Jie , Wu Xia , Deng Fei , Fang Xiangning , Xu Ning , Zhou Wei , Wu Shaowei , Yin Wenting , Liu Xiaogang , Xu Zhaochao
Published: March 2022

Long‐term super‐resolution imaging appears to be increasingly important for unraveling organelle dynamics at the nanoscale, but is challenging due to the need for highly photostable and environment‐sensitive fluorescent probes. Here, we report a self‐blinking fluorophore that achieved 12 nm spatial resolution and 20 ms time resolution under acidic lysosomal conditions. This fluorophore was successfully applied in super‐resolution imaging of lysosomal dynamics over 40 min. The pH dependence of the dye during blinking made the fluorophore sensitive to lysosomal pH. This probe enables simultaneous dynamic and pH recognition of all lysosomes in the entire cell at the single‐lysosome‐resolved level, which allowed us to resolve whole‐cell lysosome subpopulations based on lysosomal distribution, size, and luminal pH. We also observed a variety of lysosome movement trajectories and different types of interactions modes between lysosomes.
PO43− Coordinated Robust Single‐Atom Platinum Catalyst for Selective Polyol Oxidation**
Authors: Yan Hao , Zhao Mingyue , Feng Xiang , Zhao Siming , Zhou Xin , Li Shangfeng , Zha Minghao , Meng Fanyu , Chen Xiaobo , Liu Yibin , Chen De , Yan Ning , Yang Chaohe
Published: March 2022

Achieving efficient catalytic conversion over a heterogeneous catalyst with excellent resistance against leaching is still a grand challenge for sustainable chemical synthesis in aqueous solution. Herein, we devised a single‐atom Pt1/hydroxyapatite (HAP) catalyst via a simple hydrothermal strategy. Gratifyingly, this robust Pt1/HAP catalyst exhibits remarkable catalytic selectivity and catalyst stability for the selective oxidation of C2–C4 polyols to corresponding primary hydroxy acids. It is found that the Pt−(O−P) linkages with strong electron‐withdrawing function of PO43− (Pt1−OPO43− pair active site) not only realize the activation of the C−H bond, but also destabilize the transition state from adsorbed hydroxy acids toward the C−C cleavage, resulting in the sharply increased selectivity of hydroxy acids. Moreover, the strong PO43−‐coordination effect provides electrostatic stabilization for single‐atom Pt, ensuring the highly efficient catalysis of Pt1/HAP for over 160 hours with superior leaching resistance.
Molecular dynamics simulation and experimental study of micro‐structure and gel properties of single chain alkyl ammonium intercalated Na‐montmorillonite
Authors: Qiu Jun , Chen Guowei , Cao Xijiao , Cui Kaibo , Yang Wei , Yan Zhengqing , Wang Yueting , Wu Peng
Published: March 2022

The synergistic effect of layer charge density of Na‐montmorillonite (Na‐MT), the carbon chain length and the dosage of alkyl ammonium on the micro‐structure and gel properties of single chain alkyl ammonium intercalated Na‐MT was systematically studied by using X‐ray diffraction (XRD), molecular dynamics simulation and small‐scale experiment. The results ofZ‐axis density distribution and radial distribution function (RDF) shows that with the increase of the dosage of alkyl ammonium, the distribution pattern is gradually changed from layered to inclined winding and stacking distribution. The results of the self‐diffusion coefficient show that the higher the layer charge density of Na‐MT, the shorter the length of alkyl ammonium carbon chain, the lower the diffusivity of each component in the inter‐layer. With the increase of the dosage of alkyl ammonium, the diffusivity of alkyl ammonium in the inter‐layer increases firstly and then decreases. The results of gel properties show that with the increase of the dosage of alkyl ammonium, the colloidal ratio of the alkyl ammonium/Na‐MT in xylene gradually increases, while the apparent viscosity in xylene‐ethanol increases firstly and then decreases. Furthermore, the longer the carbon chain of alkyl ammonium, the lower the layer charge density of MT, the better the gel properties of the prepared alkyl ammonium/Na‐MT.
Anticorrosion performance of polyaniline/clay nanocomposites in epoxy coatings
Authors: Kang Yuan‐Teng , Wang Cheng‐Chien , Chen Chuh‐Yung
Published: March 2022

Thickness‐tunable triple‐layer polyaniline (PANI)/clay nanocomposites were synthesized via in situ intercalative polymerization of PANI within the clay layers. The PANI/clay nanocomposites were characterized by Fourier transform infrared spectroscopy, X‐ray diffraction, scanning electron microscopy, and thermogravimetric analysis. In this study, the thickness of the PANI/clay nanocomposites was easily controlled by adjusting the proportions of PANI and pristine clay. Based on oxygen transmission rate measurements, the oxygen barrier properties of pristine clay can be enhanced by the growth of PANI. Notably, the oxygen barrier property of epoxy loaded PANI/clay nanocomposites was linearly dependent on the PANI growth thickness. After 30 days immersion electrochemical impedance spectroscopy test under saline conditions, the resistance (Rc) of the pure epoxy coating (2.47 × 106 Ω) increased to 5.76 × 1010 Ω when 1 wt.% PANI was added to the epoxy coating. However, when 1 wt.% PANI/clay was added into the epoxy coating, theRcof the composite coating increased further to 7.66 × 1011 Ω. Notably, the ratio of PANI to PANI/clay was only 36.5 wt.%, indicating synergistic anticorrosion properties can be obtained by the intercalation of PANI/clay additives. Therefore, PANI/clay nanocomposites have a high potential as anticorrosion additives for industrial epoxy resin coatings.
Prenatal exposure to pesticide residues in the diet in association with child autism‐related traits: Results from the EARLI study
Authors: Joyce Emily E. , Chavarro Jorge E. , Rando Juliette , Song Ashley Y. , Croen Lisa A. , Fallin M. Daniele , Hertz‐Picciotto Irva , Schmidt Rebecca J. , Volk Heather , Newschaffer Craig J. , Lyall Kristen
Published: March 2022

Prior work has suggested associations between prenatal exposure to several classes of pesticides and child autism spectrum disorder (ASD). We examined a previously developed pesticide residue burden score (PRBS) and intake of high pesticide residue foods in association with ASD‐related traits. Participants were drawn from the Early Autism Risk Longitudinal Investigation (EARLI) (n = 256), a cohort following mothers who previously had a child with ASD through a subsequent pregnancy and that child's development. ASD‐related traits were captured according to total Social Responsiveness Scale (SRS) scores at age 3 (mean raw total SRS score = 35.8). Dietary intake was assessed through a food frequency questionnaire collected during pregnancy. We also incorporated organic intake and fatty foods in modified versions of the PRBS. Associations between high‐residue fruit and vegetable intake, the overall PRBS and modified versions of it, and SRS scores were assessed using multivariable linear regression. Overall, we did not observe associations between pesticide residues in foods and ASD‐related outcomes, and modified versions of the PRBS yielded similar findings. However, reductions in ASD‐related traits were observed with higher overall fruit and vegetable intake (adjusted estimates for Q4 vs. Q1: β −12.76, 95%CI −27.8, 2.3). Thus, findings from this high familial probability cohort did not suggest relationships between pesticide residues in the diet according to the PRBS and ASD‐related traits. Beneficial effects of fruit and vegetable intake may influence these relationships. Future work should consider fruit and vegetable intake in association with ASD‐related outcomes.

Lay Summary

Diet is the main source of exposure to most pesticides in use today. In this study, we examined the relationship between pesticide exposure from residues in the diet during pregnancy and child autism‐related traits. We found that these pesticide residues from the diet were not related to child autism‐related outcomes at age three. However, higher prenatal fruit and vegetable intake was associated with reductions in child autism‐related traits.
Legionella monitoring in the New York City water distribution system 2017 to 2019
Authors: Omoregie Enoma , Szczerba Adam , Novak John , Rubinstein Inessa , Chuang Yayu , Wu Jing , Wang Jade , Kretz Cecilia , Hughes Scott , Capetanakis Aspa , Freud Salome , Rakeman Jennifer L.
Published: March 2022

This study investigated prevalence of Legionella in the New York City (NYC) water distribution system using International Organization for Standardization 11731:2017 and Legiolert (IDEXX, USA) culture‐based methods and polymerase chain reaction. All water samples met applicable Environmental Protection Agency and New York State water quality guidelines. Eighty‐five percent (448/528) of water samples were positive for Legionella DNA. Despite this, Legionella bacteria were detected in only 2.8% (15/544) of water samples using culture methods. All Legionella pneumophila culture‐positive samples were recovered from a single distribution site, which was undergoing a street reconstruction project. The site had conditions indicative of stagnation, and an adjacent building's service line was periodically backflowing. These factors indicate that L. pneumophila may have been introduced from an external source. The lack of culturable Legionella in samples with detectable Legionella DNA suggests that NYC practices are sufficient to protect against culturable Legionella in NYC's water distribution system.
Translational potential of hiPSCs in predictive modeling of heart development and disease
Authors: Mansfield Corrin , Zhao Ming‐Tao , Basu Madhumita
Published: March 2022

Congenital heart disease (CHD) represents a major class of birth defects worldwide and is associated with cardiac malformations that often require surgical intervention immediately after birth. Despite the intense efforts from multicentric genome/exome sequencing studies that have identified several genetic variants, the etiology of CHD remains diverse and often unknown. Genetically modified animal models with candidate gene deficiencies continue to provide novel molecular insights that are responsible for fetal cardiac development. However, the past decade has seen remarkable advances in the field of human induced pluripotent stem cell (hiPSC)‐based disease modeling approaches to better understand the development of CHD and discover novel preventative therapies. The iPSCs are derived from reprogramming of differentiated somatic cells to an embryonic‐like pluripotent state via overexpression of key transcription factors. In this review, we describe how differentiation of hiPSCs to specialized cardiac cellular identities facilitates our understanding of the development and pathogenesis of CHD subtypes. We summarize the molecular and functional characterization of hiPSC‐derived differentiated cells in support of normal cardiogenesis, those that go awry in CHD and other heart diseases. We illustrate how stem cell‐based disease modeling enables scientists to dissect the molecular mechanisms of cell–cell interactions underlying CHD. We highlight the current state of hiPSC‐based studies that are in the verge of translating into clinical trials. We also address limitations including hiPSC‐model reproducibility and scalability and differentiation methods leading to cellular heterogeneity. Last, we provide future perspective on exploiting the potential of hiPSC technology as a predictive model for patient‐specific CHD, screening pharmaceuticals, and provide a source for cell‐based personalized medicine. In combination with existing clinical and animal model studies, data obtained from hiPSCs will yield further understanding of oligogenic, gene–environment interaction, pathophysiology, and management for CHD and other genetic cardiac disorders.
A comprehensive performance measurement framework for business incubation centres: Empirical evidence in an Irish context
Authors: Azadnia Amir Hossein , Stephens Simon , Ghadimi Pezhman , Onofrei George
Published: March 2022

During the last 20 years, there has been an increased interest among academics and practitioners in the area of business incubation. However, limited attention has been devoted to developing a comprehensive framework that can measure business incubators' performances. Therefore, there is an urgent need for an appropriate, robust and useable performance framework. In this paper, we present a comprehensive framework using a weighted fuzzy inference system for business incubation centres' (BIC) performance measurement. The proposed approach utilises the input of a Delphi panel to identify criteria and subcriteria. Then a fuzzy analytic hierarchy process is used to weigh the criteria. Subsequently, a weighted fuzzy inference system is developed and applied to provide results based on the identified criteria and subcriteria. To show the proficiency and applicability of the proposed framework, a case study of Irish BICs is applied. The comprehensive performance measurement framework presented in this paper provides for accurate evaluation and monitoring across six criteria. The six criteria are facilities and infrastructure; clients; networking and marketing; products and services; finance; and human capital. The results show that although most of the BICs focus on facilities and infrastructure, there is a need to concentrate more on factors such as networking, marketing and finance. The detailed approach presented in this paper can be used by academics and practitioners who wish to apply fuzzy inference systems to performance measurement. In addition, the results from our pilot can be used by BIC managers and policymakers to improve performance.
Optimization of the Extraction of Total Phenols from Medicago sativa and Its Antioxidant Capacity
Authors: Wu Fang , Shi Shangli , Liu Chang , Zhang Huihui , Li Xinglong , Li Zili
Published: March 2022

The phenolic compounds from alfalfa (Medicago sativa L.) are used as antioxidants and in native medicine. They play an indispensable role in defense and signal transduction of the plant under stress conditions. This exploration of the optimal extraction parameters of the total phenols from alfalfa by using ultrasonic‐assisted extraction (UAE) was aimed at providing a theoretical basis for better utilization of the total phenols in alfalfa. In this study, the effects of solvent volume fraction (A), extraction time (B), solid‐liquid ratio (C) and extraction temperature (D) on the total phenols content and the total antioxidant capacity of Medicago sativa L. WL363HQ after thrips infestation were determined through single‐factor experiments. Additionally, the extraction conditions of total phenols were optimized by using Box‐Behnken design (BBD) of response surface methodology (RSM). The results showed that the proposed model had a good fitting degree for total phenols extraction (R2=0.9564). The total phenols extraction from WL363HQ had significant relationship with solid‐liquid ratio (C) and extraction temperature (D) (P<0.05). The influence levels of the four factors on total phenols extraction were as follows: extraction temperature (D) > solid‐liquid ratio (C)>acetone volume fraction (A)>extraction time (B). The optimum extraction conditions of total phenols from WL363HQ were 50 % acetone, solid‐liquid ratio of 1 : 20 (g/mL), extraction time of 45 min and extraction temperature of 60 °C. The corresponding content and total antioxidant capacity under the optimized conditions were 15.76 mg g−1 and 28.79 μmol Trolox g−1. These results provided a new extraction method of total phenols from alfalfa.