bluuebunny/crossref_metadata_2025_split huggingface dataset:
Calcium‐Mediated Liposome Fusion to Engineer Giant Lipid Vesicles with Cytosolic Proteins and Reconstituted Mammalian Proteins
Authors: Schmid Yannick R. F. , Scheller Leo , Buchmann Sebastian , Dittrich Petra S. 
Published: October 2020

AbstractGiant unilamellar lipid vesicles (GUVs) are widely used as model membrane systems and provide an excellent basis to construct artificial cells. To construct more sophisticated artificial cells, proteins—in particular membrane proteins—need to be incorporated in GUVs. However, current methods for protein reconstitution have limited throughput or are not generally applicable for all proteins because they depend on detergent solubilization. This limitation is addressed here by introducing calcium‐mediated membrane fusion to transfer proteins between negatively charged GUVs and cell‐derived plasma membrane vesicles (CDVs), derived from HEK293T cells overexpressing a membrane receptor protein. Fusion conditions are optimized using large unilamellar vesicles and GUVs containing phosphatidylserines and fusogenic lipids. The approach is then applied to induce lipid mixing and subsequent transfer of the overexpressed membrane receptor from CDVs into GUVs. The membrane receptor is detected by immunofluorescence on GUVs that underwent lipid mixing with CDVs. Those GUVs also exhibit esterase activity because cytosolic esterases entrapped in the CDVs are transferred during membrane fusion. Thus, content mixing is demonstrated. Using CDVs circumvents the need to purify or solubilize proteins. Moreover, calcium‐mediated fusion allows transfer of lipids, water‐soluble and membrane bound proteins in one step, resulting in a semi‐synthetic cell.
Theory of Energy Transfer in Organic Nanocrystals
Authors: Sáez‐Blázquez Rocío , Feist Johannes , García‐Vidal Francisco J. , Fernández‐Domínguez Antonio I. 
Published: October 2020

AbstractRecent experiments have shown that highly efficient energy transfer can take place in organic nanocrystals at extremely low acceptor densities. This striking phenomenon has been ascribed to the formation of exciton polaritons thanks to the photon confinement provided by the crystal itself. An alternative theoretical model that accurately reproduces fluorescence lifetime and spectrum measurements in these systems without such an assumption is proposed. The approach treats molecule–photon interactions in the weak‐coupling regime, and describes the donor and acceptor population dynamics by means of rate equations with parameters extracted from electromagnetic simulations. The physical insight and predictive value of this model also enables the authors to propose nanocrystal configurations in which acceptor emission dominates the fluorescence spectrum at densities orders of magnitude lower than the experimental ones.
One‐pot Cascade Reaction for the Synthesis of Phenanthridines via Suzuki Coupling/C−H Oxidation/Aromatization
Authors: Zhang Yi , Ding Yuxin , Chen Rener , Ma Yongmin 
Published: October 2020

AbstractA one‐pot cascade coupling/annulation reaction for the synthesis of phenanthridines has been developed from arylboronic acids and o‐bromo arylamides with DMSO as a carbon source. The desired phenanthridines were obtained in moderate to good yields by using simple procedure.magnified image
Fast and Efficient Nickel(II)‐catalysed Transfer Hydrogenation of Quinolines with Ammonia Borane
Authors: Vermaak Vincent , Vosloo Hermanus C. M. , Swarts Andrew J. 
Published: October 2020

AbstractHerein we report the first Ni(II)‐catalysed transfer hydrogenation of quinolines using ammonia borane (AB) as hydrogen (H2) source. An in situ generated Ni(II)‐bis(pyrazolyl)pyridine pre‐catalyst could hydrogenate quinoline and its derivatives in excellent yields of up to 90% at 25 °C in 30 minutes. Spectroscopic studies revealed that a Ni(II)‐hydride is responsible for the transfer hydrogenation of quinoline to 1,2,3,4‐tetrahydroquinoline via a 1,4‐dihydroquinoline intermediate.magnified image
Behaviour of Regioisomeric Bithiophenes in the Oxidative Synthesis of Tetrathieno‐Fused π‐Expanded Fluorenes and Their Characterization
Authors: Jagarapu Ramakrishna , Maddala Sudhakar , Mahto Indrajit , Venkatakrishnan Parthasarathy 
Published: October 2020

AbstractDifferently‐linked bithienyl‐attached fluorenes have been synthesized. While the oxidative photodicyclization of 2,3′‐bithiophene‐containing fluorene was successful to yield tetrathieno‐fused regioisomeric π‐expanded fluorenes, the reaction with 2,2′‐bithiophene‐containing fluorene was very sluggish. Interestingly, the connectivity in bithiophenes appears to determine the (photo)reactivity. On the one hand, under mild Scholl conditions, 2,3′‐bithiophene‐containing fluorene yielded a highly regioselective product while 2,2′‐bithiophene‐containing fluorene led to polymerization. The optical and electrochemical properties of tetrathienoannulated π‐expanded fluorenes were investigated, and they were found to be quite different from those of the phenanthreno‐annulated π‐expanded analogues. These newly obtained sulfur‐edged π‐expanded fluorenes may hold promise in organic electronics.
Pentacycloundecane (PCUD)‐Based Cage Frameworks as Potential Energetic Materials: Syntheses and Characterization
Authors: Kotha Sambasivarao , Cheekatla Subba Rao , Lal Sohan , Mallick Lovely , Kumbhakarna Neeraj , Chowdhury Arindrajit , Namboothiri Irishi N. N. 
Published: October 2020

AbstractA new variety of cage frameworks containing pentacycloundecane (PCUD) were synthesized. These compounds contain azide and triazole units. Four new cage frameworks were designed and constructed starting from easily accessible starting materials such as 2,3‐dimethylhydroquinone, 1,4‐dimethoxybenzene, and dicyclopentadiene using [2+2] photocycloaddition as the key step. The structures of these symmetrical cage bis‐azide and cage bis‐triazole compounds have been confirmed by single‐crystal X‐ray diffraction studies. DFT analysis at different levels of theory were used to optimize the geometries and compute the heats of formation of the title compounds. Their propulsive and explosive properties were also calculated using suitable computational methods. The thermodynamic stability of the title compounds was theoretically analysed based on their bond dissociation energies. The thermal stability was evaluated by TGA‐coupled FTIR analysis.
MeOTf‐Catalyzed Intramolecular Acyl‐Cyclization of Aryl Isocyanates: Efficient Access to Phenanthridin‐6(5H)‐one and 3,4‐Dihydroisoquinolin‐1(2H)‐one Derivatives
Authors: Zou Song , Zhang Zeyu , Chen Chao , Xi Chanjuan 
Published: October 2020

AbstractMeOTf‐catalyzed intramolecular acyl‐cyclization of aryl isocyanates has been realized to provide (NH)‐phenanthridinones and lactams under metal‐free conditions. A variety of functional groups are tolerated in their scaffolds with good to excellent yields. The reaction could be carried to gram scale and a range of natural alkaloids, such as crinasiadine, benzophenidine alkaloid (ZYH005), N‐methylcrinasiadine, and trisphaeridine could be synthesized directly or in short steps with high yields.
AIEgen‐Lipid Conjugate for Rapid Labeling of Neutrophils and Monitoring of Their Behavior
Authors: Liu Xingang , Wu Min , Wang Meng , Duan Yukun , Phan Chi Uyen , Chen Huan , Tang Guping , Liu Bin 
Published: October 2020

AbstractStudies on neutrophil‐based nanotherapeutic engineering have shown great potentials in treating infection and inflammation disorders. Conventional neutrophil labeling methods are time‐consuming and often result in undesired contamination and activation since neutrophils are terminal‐differentiated cells with a half‐life span of only 7 h. A simple, fast, and biocompatible strategy to construct engineered neutrophils is highly desirable but remains difficult to achieve. In this study, we present an AIEgen‐lipid conjugate, which can efficiently label harvested neutrophils in 30 s with no washing step required. This fast labeling method does not affect the activation and transmigration property of neutrophils, which has been successfully used to monitor neutrophil behaviors such as the chemotaxis process and migrating function towards inflammation sites both in vitro and in vivo, offering a tantalizing prospect for neutrophil‐based nanotherapeutics studies.
Potassium and 12‐tungstophosphoric acid loaded alumina as heterogeneous catalyst for the esterification as well as transesterification of waste cooking oil in a single pot
Authors: Singh Himmat , Ali Amjad 
Published: October 2020

AbstractTo prepare the heterogeneous catalyst for the simultaneous transesterification and esterification of waste cooking oil (WO), 12‐tungustophosphoric acid (TPA) and K+ were loaded over alumina. The catalyst structure was confirmed by powder X‐ray diffraction analysis while the catalyst composition and the elemental oxidation state by X‐ray photoelectron spectroscopic study. The surface morphology of the catalyst was established by high‐resolution transmission electron microscopy. The temperature‐programmed desorption study supports the existence of basic and acidic sites over the catalyst surface owing to the presence of potassium oxide and TPA, respectively. Underneath the optimized conditions for reaction, that is, 10 wt% of catalyst with respect to oil, 9:1 methanol to oil molar ratio and 65°C reaction temperature, 97% fatty acid methyl ester (FAME) yield was obtained within 1.25 h of reaction time. The catalyst was recovered from the reaction mixture via centrifugation and reused in four consecutive runs. Moreover, the presence of high moisture (4 wt%) and free fatty acid (7.8 wt%) contents was not found to have any adverse effect on the catalyst activity. To demonstrate the catalyst stability, the metal content in the reaction mixture was analyzed, and total metal content was found to be less than 2 ppm to hold the catalyst stability. The kinetic study suggests that the reaction follows (pseudo) first‐order kinetic equation with the prepared catalyst.
Superior adsorption of cationic dye on novel bentonite/carbon composites
Authors: Fathy Nady , El‐Khouly Sahar , Ahmed Sohair , El‐Nabarawy Thoria , Tao Yousheng 
Published: October 2020

AbstractThe principal objective of this work was to modify the surface of natural bentonite for enhanced adsorption of cationic dyes. In this regard, novel bentonite/carbon composites were synthesized through two routes. Ferrocene/p‐xylene mixture was used as carbon source through (1) hydrothermal decomposition and (2) spray routes during the calcination of sodium‐bentonite (Na‐B) to deposit carbons on the surface of Na‐B. Samples were characterized using scanning electron microscopy (SEM) with energy dispersive spectroscopy, X‐ray diffraction (XRD), Fourier‐transform infrared, and N2 adsorption at −196°C. Cationic neutral red (NR) dye was used to investigate the adsorption capacity of the samples. SEM and XRD profiles showed that the first route deposited carbon with orthorhombic structures, whereas the second yielded carbons with hexagonal shapes like rods on Na‐B. The specific surface areas and the total pore volumes of the composites were considerably increased in comparison with matrix of bentonite. The products gave superior adsorption of NR dye, for example, 145 mg/g onto B‐C2 and attained good reusability of adsorbent where 90% of NR dye was removed on the third run at pH 5 and temperature of 25°C. These results affirm that the prepared composites are promising as novel adsorbents for the purification of water containing cationic dyes.
Thermomechanical devulcanization of ethylene propylene diene monomer rubber and its application in blends with high‐density polyethylene
Authors: Pirityi Dávid Zoltán , Pölöskei Kornél 
Published: October 2020

AbstractThe recycling of ethylene propylene diene monomer (EPDM) rubber remains a challenge, as its cross‐linked structure cannot be broken down reversibly. Devulcanization may offer a breakthrough; however, a 100% decrease in cross‐link density (CLD) with no chain degradation has never been reported. In this research, sulfur‐ and peroxide‐cured EPDM rubbers of known compositions were devulcanized on a two‐roll mill and in an internal mixer. The CLD of both rubber samples decreased by around 85%, while the sol content of the peroxidic devulcanizate was considerably higher than that of the sulfuric devulcanizate (23% vs. 3%). Horikx's theory revealed that sulfur‐cured samples showed excellent selectivity for cross‐link scission, while peroxide‐cured samples suffered degradation. Uncured, cured, and devulcanized rubber samples were mixed into high‐density polyethylene at various compositions. Large EPDM rubber contents impaired the mechanical properties of the blends, indicating insufficient adhesion between the two phases. Compounds containing originally uncured rubber mixtures had the most beneficial mechanical properties.
Innovation adoption: Broadcasting versus virality
Authors: Zhai Yujia , Ding Ying , Zhang Hezhao 
Published: October 2020

AbstractDiffusion channels are critical to determining the adoption scale, which leads to the ultimate impact of an innovation. The aim of this study is to develop an integrative understanding of the impact of two diffusion channels (i.e., broadcasting vs. virality) on innovation adoption. Using citations of a series of classic algorithms and the time series of co‐authorship as the footprints of their diffusion trajectories, we propose a novel method to analyze the intertwining relationships between broadcasting and virality in the innovation diffusion process. Our findings show that broadcasting and virality have similar diffusion power, but play different roles across diffusion stages. Broadcasting is more powerful in the early stages but may be gradually caught up or even surpassed by virality in the later period. Meanwhile, diffusion speed in virality is significantly faster than broadcasting and members from virality channels tend to adopt the same innovation repetitively.
Synthesis of Multifunctional α,α‐Difluoroketones through Allylic Alkylation of Difluoroenoxysilanes with MBH Carbonates
Authors: Pan Bo‐Wen , Shi Yang , Tian You‐Ping , Zhou Ying , Zhou Jian , Yu Jin‐Sheng 
Published: October 2020

AbstractThe first allylic alkylation of difluoroenoxysilanes with MBH carbonates catalyzed by triethylenediamine (DABCO) is developed, which allows rapid access to multifunctional α‐gem‐difluoroketones with up to 97% yields. Moreover, the gram‐scale synthesis and the diversifying transformation of products to valuable gem‐difluorinated molecules highlight the practicality of this methodology.
Derivatization procedures and their analytical performances for HPLC determination in bioanalysis
Authors: David Victor , Moldoveanu Serban C. , Galaon Toma 
Published: October 2020

AbstractDerivatization, or chemical structure modification, is often used in bioanalysis performed by liquid chromatography technique in order to enhance detectability or to improve the chromatographic performance for the target analytes. The derivatization process is discussed according to the analytical procedure used to achieve the reaction between the reagent and the target compounds (containing hydroxyl, thiol, amino, carbonyl and carboxyl as the main functional groups involved in derivatization). Important procedures for derivatization used in bioanalysis are in situ or based on extraction processes (liquid–liquid, solid‐phase and related techniques) applied to the biomatrix. In the review, chiral, isotope‐labeling, hydrophobicity‐tailored and post‐column derivatizations are also included, based on representative publications in the literature during the last two decades. Examples of derivatization reagents and brief reaction conditions are included, together with some bioanalytical applications and performances (chromatographic conditions, detection limit, stability and sample biomatrix).
Achieving environmental sustainability through green transformational leadership policy: Can green team resilience help?
Authors: Çop Serdar , Olorunsola Victor Oluwafemi , Alola Uju Violet 
Published: October 2020

AbstractThe race to gain competitive advantage through the formulation of a sustainable business strategy is key for the survival in the global business sphere. Even more importantly is the quest to deploy an effective green strategy to combat the numerous negative impact industrialization has on the environment. Researches pointed out the role of leaders and stakeholder's engagement in bringing about reform. This research focuses on how to build a robust psychological capital within an organization through the leader's transformative ability in combating environmental issues. This is necessary because research related to green transformational leadership and the effect on green team resilience has not been considered in literature. Drawing from the combination of three theories; broaden‐and‐build theory, job demand–resource theory, and conservation of resource theory, this study contributes to the extant literature by testing the effect of green transformational leadership via the mediating role of green work engagement to green team resilience. Using Amos 20 version to analyze 351 questionnaires that were collected from employees in four and five star hotels in Turkey, the result reviews that green transformational leadership has a positive effect on green work engagement and green team resilience, and green work engagement fully mediates the relationship between the variables. The theoretical and practical implications are discussed.
Impact of stress‐response related transcription factor overexpression on lignocellulosic inhibitor tolerance of Saccharomyces cerevisiae environmental isolates
Authors: Mertens Jeffrey A. , Skory Christopher D. , Nichols Nancy N. , Hector Ronald E. 
Published: October 2020

AbstractNumerous transcription factor genes associated with stress response are upregulated in Saccharomyces cerevisiae grown in the presence of inhibitors that result from pretreatment processes to unlock simple sugars from biomass. To determine if overexpression of transcription factors could improve inhibitor tolerance in robust S. cerevisiae environmental isolates as has been demonstrated in S. cerevisiae haploid laboratory strains, transcription factors were overexpressed at three different expression levels in three S. cerevisiae environmental isolates. Overexpression of the YAP1 transcription factor in these isolates did not lead to increased growth rate or reduced lag in growth, and in some cases was detrimental, when grown in the presence of either lignocellulosic hydrolysates or furfural and 5‐hydroxymethyl furfural individually. The expressed Yap1p localized correctly and the expression construct improved inhibitor tolerance of a laboratory strain as previously reported, indicating that lack of improvement in the environmental isolates was due to factors other than nonfunctional expression constructs or mis‐folded protein. Additional stress‐related transcription factors, MSN2, MSN4, HSF1, PDR1, and RPN4, were also overexpressed at three different expression levels and all failed to improve inhibitor tolerance. Transcription factor overexpression alone is unlikely to be a viable route toward increased inhibitor tolerance of robust environmental S. cerevisiae strains.
Functional Food XingJiuTang Attenuates Alcohol‐Induced Liver Injury by Regulating SIRT1/Nrf‐2 Signaling Pathway
Authors: Hao Jiatong , Ding Yue , Shi Wen , Zhang Chaofeng , Li Renshi 
Published: October 2020

AbstractLipid accumulation, inflammatory responses and oxidative stress have been implicated in the pathology of alcohol‐induced liver injury (ALI). In this work, we evaluated the effects of the functional food XingJiuTang (XJT) on ALI and explored the underlying mechanism. We used alcohol‐stimulated human normal hepatocytes L02 for in vitro experiments, while for in vivo experiments, 55 % alcohol was intragastrically administrated to C57BL/6 mice at 16 mL/kg with pre‐administration of bifendate and XJT. Liver histology and function, along with the inflammatory cytokines, oxidative mediators and SIRT1/Nrf‐2 pathway were evaluated. The results showed that XJT treatment significantly alleviated ALI, ameliorated lipid peroxidation, improved the liver function impaired by alcohol and inhibited the hepatocytes apoptosis in vitro and in vivo. In addition, XJT treatment modulated the activation of the SIRT1/Nrf‐2 signaling pathway and suppressed the overexpression of NOX4. Overall, the functional food XJT effectively protects against experimental ALI via activating the SIRT1/Nrf‐2 pathway.
Why Does the Novel Coronavirus Spike Protein Interact so Strongly with the Human ACE2? A Thermodynamic Answer
Authors: de Andrade Jones , Gonçalves Paulo Fernando Bruno , Netz Paulo Augusto 
Published: October 2020

AbstractThe SARS‐CoV‐2 pandemic is the biggest health concern today, but until now there is no treatment. One possible drug target is the receptor binding domain (RBD) of the coronavirus’ spike protein, which recognizes the human angiotensin‐converting enzyme 2 (hACE2). Our in silico study discusses crucial structural and thermodynamic aspects of the interactions involving RBDs from the SARS‐CoV and SARS‐CoV‐2 with the hACE2. Molecular docking and molecular dynamics simulations explain why the chemical affinity of the new SARS‐CoV‐2 for hACE2 is much higher than in the case of SARS‐CoV, revealing an intricate pattern of hydrogen bonds and hydrophobic interactions and estimating a free energy of binding, which is consistently much more negative in the case of SARS‐CoV‐2. This work presents a chemical reason for the difficulty in treating the SARS‐CoV‐2 virus with drugs targeting its spike protein and helps to explain its infectiousness.
Multifaceted modifications for a cell size‐based circulating tumor cell scope technique hold the prospect for large‐scale application in general populations
Authors: Zhang Leisheng , Zou Linglin , Ma Yue , Feng Chunjing , Zhan Rucai , Yang Hongju , Song Baoquan , Han Zhongchao 
Published: October 2020

AbstractCirculating tumor cells (CTCs) indicate the diagnosis and prognosis of cancer patients, together with benefiting individual treatment and anticancer drug development. However, their large‐scale application in general population still requires systematically multifaceted modifications for currently proprietary new technologies based on filtration. We primitively utilized a cell size‐based platform to evaluate the recovery efficiency of spiked abnormal cell lines and analyzed circulating abnormal cells (CACs). To dissect the subpopulations of CACs, we conducted immunofluorescent (IF) staining with a combination of unique biomarkers of CTCs and circulating endothelial cells (CECs). Furthermore, we improved the CTC screening system by assessing the feasibility of transferring CTCs for automatic IF analysis, together with simulating and optimizing the circumstances for long‐term CTC storage and transportation. We detected CACs in 15 HD candidates with CTC characteristics such as abnormally large cytomorphology, high nuclear−cytoplasmic ratio, and positive for panCK or VIM staining. Thereafter, we improved accuracy of the platform by distinguishing CTCs from CECs, which satisfied the elementary requirement for small‐scale CTC screening in HD candidates. Finally, large‐scale CTC screening in general population was available after multifaceted modifications including automatic analysis by transferring CTCs on slides, choosing the appropriate blood‐collecting tube, optimizing the conditions for long‐term CTC storage and transportation, and evaluating the potential effect on the CTC phenotype. Hence, we systematically modified the scope of technique parameters, improved the accuracy of early cancer detection, and made it realizable for large‐scale CTC or CEC screening in general population.