bluuebunny/crossref_metadata_2025_split huggingface dataset:
Rhizosphere microbial communities reflect genotypic and trait variation in a salt marsh ecosystem engineer
Authors: Lumibao Candice Y. , Bernik Brittany M. , Formel Stephen K. , Kandalepas Demetra , Mighell Kimberly L. , Pardue John , Van Bael Sunshine A. , Blum Michael J. 
Published: June 2020

PremiseThere is growing recognition that intraspecific genetic variation in plants can influence associated soil microbial communities, but the functional bridges linking plant genotype with microbial community structure are not well understood. This deficit is due in part to a prevailing focus on characterizing relationships between microbial communities and functional trait variation among plant species or across plant communities, rather than within a single species.MethodsWe examined whether and how spatiotemporal variation in salt marsh rhizosphere microbial communities reflect plant provenance (genotypic variation) and associated trait variation within an ecosystem engineer, Spartina alterniflora. We planted S. alterniflora from four genetically distinct source populations in replicate sets of experimental plots across a shoreline in southeastern Louisiana, USA. After 2 years, we measured functional plant traits and profiled microbial communities.ResultsBacterial and fungal α‐diversity and richness were significantly higher in winter than in summer and corresponded to plant trait variation associated with provenance. Notably, 20% of the variation in fungal community composition was explained by trait differences while bacterial community structure did not reflect plant provenance or trait variation. However, evidence was found suggesting that bacterial communities are indirectly shaped by the influence of plant provenance on soil physicochemical properties.ConclusionsThis study illustrates that intraspecific genetic and corresponding trait variation in an ecosystem engineer can shape rhizosphere microbial communities, with fungal communities being more responsive than bacteria to the influence of plant provenance and associated trait variation. Our results highlight the potential relevance of plant intraspecific variation in plant–microbe–soil feedbacks shaping naturally depauperate ecosystems like salt marshes.
Constructing Charge‐Transfer Excited States Based on Frontier Molecular Orbital Engineering: Narrowband Green Electroluminescence with High Color Purity and Efficiency
Authors: Xu Yincai , Li Chenglong , Li Zhiqiang , Wang Qingyang , Cai Xinliang , Wei Jinbei , Wang Yue 
Published: June 2020

AbstractThe design and synthesis of organic materials with a narrow emission band in the longer wavelength region beyond 510 nm remain a great challenge. For constructing narrowband green emitters, we propose a unique molecular design strategy based on frontier molecular orbital engineering (FMOE), which can integrate the advantages of a twisted donor–acceptor (D‐A) structure and a multiple resonance (MR) delayed fluorescence skeleton. Attaching an auxiliary donor to a MR skeleton leads to a novel molecule with twisted D‐A and MR structure characteristics. Importantly, a remarkable red‐shift of the emission maximum and a narrowband spectrum are achieved simultaneously. The target molecule has been employed as an emitter to fabricate green organic light‐emitting diodes (OLEDs) with Commission Internationale de L'Eclairage (CIE) coordinates of (0.23, 0.69) and a maximum external quantum efficiency (EQE) of 27.0 %.
Acceptor‐Doping Accelerated Charge Separation in Cu2O Photocathode for Photoelectrochemical Water Splitting: Theoretical and Experimental Studies
Authors: Zhang Mengmeng , Wang Jiajun , Xue Hui , Zhang Jinfeng , Peng Shengjie , Han Xiaopeng , Deng Yida , Hu Wenbin 
Published: June 2020

AbstractCu2O is a typical photoelectrocatalyst for sustainable hydrogen production, while the fast charge recombination hinders its further development. Herein, Ni2+ cations have been doped into a Cu2O lattice (named as Ni‐Cu2O) by a simple hydrothermal method and act as electron traps. Theoretical results predict that the Ni dopants produce an acceptor impurity level and lower the energy barrier of hydrogen evolution. Photoelectrochemical (PEC) measurements demonstrate that Ni‐Cu2O exhibits a photocurrent density of 0.83 mA cm−2, which is 1.34 times higher than that of Cu2O. And the photostability has been enhanced by 7.81 times. Moreover, characterizations confirm the enhanced light‐harvesting, facilitated charge separation and transfer, prolonged charge lifetime, and increased carrier concentration of Ni‐Cu2O. This work provides deep insight into how acceptor‐doping modifies the electronic structure and optimizes the PEC process.
Dynamics of Ligand Binding to a Rigid Glycosidase**
Authors: Ben Bdira Fredj , Waudby Christopher A. , Volkov Alexander N. , Schröder Sybrin P. , AB Eiso , Codée Jeroen D. C. , Overkleeft Hermen S. , Aerts Johannes M. F. G. , van Ingen Hugo , Ubbink Marcellus 
Published: June 2020

AbstractThe single‐domain GH11 glycosidase from Bacillus circulans (BCX) is involved in the degradation of hemicellulose, which is one of the most abundant renewable biomaterials in nature. We demonstrate that BCX in solution undergoes minimal structural changes during turnover. NMR spectroscopy results show that the rigid protein matrix provides a frame for fast substrate binding in multiple conformations, accompanied by slow conversion, which is attributed to an enzyme‐induced substrate distortion. A model is proposed in which the rigid enzyme takes advantage of substrate flexibility to induce a conformation that facilitates the acyl formation step of the hydrolysis reaction.
Photoactivated Polymersome Nanomotors: Traversing Biological Barriers
Authors: Shao Jingxin , Cao Shoupeng , Williams David S. , Abdelmohsen Loai K. E. A. , van Hest Jan C. M. 
Published: June 2020

AbstractSynthetic nanomotors are appealing delivery vehicles for the dynamic transport of functional cargo. Their translation toward biological applications is limited owing to the use of non‐degradable components. Furthermore, size has been an impediment owing to the importance of achieving nanoscale (ca. 100 nm) dimensions, as opposed to microscale examples that are prevalent. Herein, we present a hybrid nanomotor that can be activated by near‐infrared (NIR)‐irradiation for the triggered delivery of internal cargo and facilitated transport of external agents to the cell. Utilizing biodegradable poly(ethylene glycol)‐b‐poly(d,l‐lactide) (PEG‐PDLLA) block copolymers, with the two blocks connected via a pH sensitive imine bond, we generate nanoscopic polymersomes that are then modified with a hemispherical gold nanocoat. This Janus morphology allows such hybrid polymersomes to undergoing photothermal motility in response to thermal gradients generated by plasmonic absorbance of NIR irradiation, with velocities ranging up to 6.2±1.10 μm s−1. These polymersome nanomotors (PNMs) are capable of traversing cellular membranes allowing intracellular delivery of molecular and macromolecular cargo.
The Carbonyl⋅⋅⋅Tellurazole Chalcogen Bond as a Molecular Recognition Unit: From Model Studies to Supramolecular Organic Frameworks
Authors: Mehrparvar Saber , Wölper Christoph , Gleiter Rolf , Haberhauer Gebhard 
Published: June 2020

AbstractIn the last years, chalcogen bonding, the noncovalent interaction involving chalcogen centers, has emerged as interesting alternative to the ubiquitous hydrogen bonding in many research areas. Here, we could show by means of high‐level quantum chemical calculations that the carbonyl⋅⋅⋅tellurazole chalcogen bond is at least as strong as conventional hydrogen bonds. Using the carbonyl⋅⋅⋅tellurazole binding motif, we were able to design complex supramolecular networks in solid phase starting from tellurazole‐substituted cyclic peptides. X‐ray analyses reveal that the rigid structure of the cyclic peptides is caused by hydrogen bonds, whereas the supramolecular network is held together by chalcogen bonding. The type of the supramolecular network depends on peptide used; both linear wires and a honeycomb‐like supramolecular organic framework (SOF) were observed. The unique structure of the SOF shows two channels filled with different types of solvent mixtures that are either locked or freely movable.
Ultrastable and Highly Catalytically Active N‐Heterocyclic‐Carbene‐Stabilized Gold Nanoparticles in Confined Spaces
Authors: Gou Xing‐Xing , Liu Tong , Wang Yao‐Yu , Han Ying‐Feng 
Published: June 2020

AbstractControlling the size and surface functionalization of nanoparticles (NPs) can lead to improved properties and applicability. Herein, we demonstrate the efficiency of the metal‐carbene template approach (MCTA) to synthesize highly robust and soluble three‐dimensional polyimidazolium cages (PICs) of different sizes, each bearing numerous imidazolium groups, and use these as templates to synthesize and stabilize catalytically active, cavity‐hosted, dispersed poly‐N‐heterocyclic carbene (NHC)‐anchored gold NPs. Owing to the stabilization of the NHC ligands and the effective confinement of the cage cavities, the as‐prepared poly‐NHC‐shell‐encapsulated AuNPs displayed promising stability towards heat, pH, and chemical regents. Most notably, all the Au@PCCs (PCC=polycarbene cage) exhibited excellent catalytic activities in various chemical reactions, together with high stability and durability.
Palladium‐Catalyzed Electrophilic Functionalization of Pyridine Derivatives through Phosphonium Salts
Authors: Che Yuan‐Yuan , Yue Yanni , Lin Ling‐Zhi , Pei Bingbing , Deng Xuezu , Feng Chao 
Published: June 2020

AbstractHerein, we report a highly efficient and practical method for pyridine‐derived heterobiaryl synthesis through palladium‐catalyzed electrophilic functionalization of easily available pyridine‐derived quaternary phosphonium salts. The nice generality of this reaction was goes beyond arylation, enabling facile incorporation of diverse carbon‐based fragments, including alkenyl, alkynyl, and also allyl fragments, onto the pyridine core. Notably, the silver salt additive is revealed to be of vital importance for the success of this transformation and its pivotal role as transmetallation mediator, which guarantees a smooth transfer of pyridyl group to palladium intermediate, is also described.
Palladium‐Catalyzed Carbonylative Annulation of 1‐Hydroxy‐o‐Carborane and Internal Alkynes via Regioselective B‐H Activation
Authors: Au Yik Ki , Quan Yangjian , Xie Zuowei 
Published: June 2020

AbstractA Pd‐catalyzed three‐component carbonylative‐annulation of 1‐hydroxy‐o‐carborane, internal alkyne and carbon monoxide has been achieved via direct and regioselective cage B−H activation. A class of C,B‐substituted carborano‐coumarin derivatives with potential applications in pharmaceuticals were facilely prepared in moderate to high yields with excellent chemoselectivity and regioselectivity. A plausible reaction mechanism including CO insertion, electrophilic B−H metalation, alkyne insertion and reductive elimination was proposed.
Determination of parvovirus antigen in the vaccine using time‐resolved fluorescence immunoassay
Authors: Chen Cuicui , Liang Huankun , Hu Baoyu , Ning Bo , Lai Hongrui , He Ying , Guo Guiling , Zhong Shuhai , Li Laiqing 
Published: June 2020

AbstractAs a highly contagious and potentially fatal disease of dogs, canine parvovirus type 2 (CPV‐2) usually causes severe myocarditis and gastroenteritis, while vaccine injection has greatly reduced the incidence of CPV‐2 diseases. However, there is currently a lack of simple and effective method for quantitative detection of CPV‐2 in vaccine. Therefore, this study aims to prepare an accurate method to determine the CPV‐2 antigen (CPV‐2‐Ag) in vaccine. Here, a sandwich time‐resolved fluorescence immunoassay (TRFIA) was established and optimized. Anti‐CPV‐2 antibodies were immobilized on 96‐well plates to capture CPV‐2‐Ag, and then bound together with the detection antibodies labeled with Europium(III) (Eu3+) chelates; finally, time‐resolved fluorometry was employed to measure the fluorescence intensity. Vaccination was performed to evaluate the relationship between CPV‐2‐Ag concentration and antibody titer. The sensitivity is 1.15 mEU/mL (LogY = 1.524 + 0.8667 × LogX, R2 = 0.9933), and the average recovery is among 91.00% to 106.39% without cross‐reactions with the other canine viral antigen. The correlation between ELISA assay and this method is up to 0.9861. And, there is high correlation between the CPV‐2‐Ag concentration and antibody titers (R2 = 0.9234). This immunoassay established has high sensitivity, accuracy, and specificity, which indicate that this method could be suitable for quantitative detection of CPV‐2‐Ag in vaccine evaluation.
A High‐Power Dielectric Biconical Antenna for Treatment of Subcutaneous Targets
Authors: Xiao Shu , Zou Xianbing , Huynh Khiem , Yamada Ryo , Petrella Ross , Bani Hani Maisoun , Beebe Stephen 
Published: June 2020

A dielectric biconical antenna (DiBiCA) for radiating subnanosecond pulses to treat subcutaneous tissue was designed, constructed, and tested. It is composed of a conical wave launcher and truncated conical emitter. In between, there is a short cylinder that provides a space for a ring terminating resistor. The material of the antenna has a dielectric constant of 28, so its size is small (length: 7 cm and aperture diameter: 2.2 cm). It was housed in an oil container to withstand high voltages and avoid surface flashover. The radiated electric field, measured in water, increased as the input voltage increased up to 30 kV but leveled off for higher voltages up to 50 kV, presumably because of losses in the antenna dielectric. The maximum field was 1.5 kV/cm for a depth of 5 mm and 1.0 kV/cm for a depth of 20 mm. Although the dielectric loss mechanism remains to be investigated, the antenna can be useful for noninvasive delivery of subnanosecond pulses to induce biological responses on subcutaneous targets. The DiBiCA radiated pulses were shown to change the viabilities of dendritic cells and macrophages for 10‐min exposure. Bioelectromagnetics. 2020;41:413–424. © 2020 Bioelectromagnetics Society.
Mass spectrometry studies of the fragmentation patterns and mechanisms of protonated peptoids
Authors: Ren Jianhua , Tian Yuan , Hossain Ekram , Ho Joshua S. , Mann Yadwinder S. , Zhang Yuntao , Browne Michael D. , Connolly Michael D. , Zuckermann Ronald N. 
Published: June 2020

AbstractPeptoids belong to a class of sequence‐controlled polymers comprising of N‐alkylglycine. This study focuses on using tandem mass spectrometry techniques to characterize the fragmentation patterns of a set of singly and doubly protonated peptoids consisting of one basic residue placed at different positions. The singly protonated peptoids fragment by producing predominately high‐abundant C‐terminal ions called Y‐ions and low‐abundant N‐terminal ions called B‐ions. Computational studies suggest that the proton affinity (PA) of the C‐terminal fragments is generally higher than that of the N‐terminal fragments, and the PA of the former increases as the fragments are elongated. The B‐ions are likely formed upon dissociating the proton‐activated amide bonds via an oxazolone structure, and the Y‐ions are produced subsequently by abstracting a proton from the newly formed B‐ions, which is energetically favored. The doubly protonated peptoids prefer to fragment closest to either the N‐ or the C‐terminus and produce corresponding B/Y‐ion pairs. The basic residue seems to dictate the preferred fragmentation site, which may be the result of minimizing the repulsion between the two charges. Water and terminal neutral losses are a facile process accompanying the peptoid fragmentation in both charge states. The patterns appear to be highly influenced by the location of the basic residue.
Simultaneous determination of sutetinib and its active metabolite sutetinib N‐oxide in human plasma by liquid chromatography–tandem mass spectrometry: Evaluation of plasma stability
Authors: Qiu Yanan , Tang Chongzhuang , Li Ranran , Cao Sumin , Zhang Yuqiang , Chen Xiaoyan 
Published: June 2020

AbstractFrom the point of view of drug efficacy and safety, pharmacokinetic profiles of both In this work, a sensitive and reliable liquid chromatographic–tandem mass spectrometric method was established for simultaneous determination of sutetinib and N‐oxide metabolite (SNO) in human plasma and further applied to a pharmacokinetic study. Analytes were extracted from plasma samples (100 μl) via acetonitrile‐induced protein precipitation and separated on a C18 column using ammonium acetate with ammonium hydroxide and acetonitrile as the mobile phase. Positive electrospray ionization was carried out through multiple reaction monitoring with transitions of m/z 440.2 → 367.1 and 446.2 → 367.1 for sutetinib and SNO, respectively. The method was linear within the concentration range of 0.5–100 ng/ml for both analytes. The precision, accuracy, selectivity, recovery and matrix effect of this method all met the requirements of bioanalytical guidance. In addition, a plasma stability assessment demonstrated unexpected results. Sutetinib was prone to form covalent conjugates with plasma albumin in vitro. The degree of covalent binding increased with increasing temperature, resulting in a significant decrease in its plasma concentrations. However, SNO could not easily bind with albumin owing to steric hindrance or electronegativity. Furthermore, sutetinib and SNO remained stable when blood and plasma samples were kept on wet ice. The validated method was successfully employed for the pharmacokinetic evaluation of sutetinib in patients with advanced malignant solid tumors.
Blood pressure after follow‐up in a stroke prevention clinic
Authors: Hornnes Agnete Hviid , Poulsen Mai Bang 
Published: June 2020

AbstractObjectivesIn Denmark, 25% of hospital admissions with stroke are recurrent strokes. With thrombolytic treatment, more patients survive with only minor disability. This promising development should be followed up by intensive secondary prevention. Hypertension is the most important target. We aimed at testing the hypotheses that early follow‐up in a preventive clinic would result in (a) a higher proportion of patients with blood pressure at target and (b) time to stroke recurrence, myocardial infarction, and death would be longer in the intervention group compared to controls.Materials and MethodsEligible patients admitted to the stroke unit of Herlev Hospital were randomized shortly before discharge to intervention or control group. Of 78 included participants, data from 73 were available for follow‐up 9 months after inclusion. Patients in the intervention group were seen in the clinic within 1 week. In case of hypertension, treatment was initiated or supplied with a new drug. We used individual targets for blood pressure according to diagnosis of stroke and patients' comorbidity. Patients in the intervention group had a median of five visits to the preventive clinic.ResultsIn the intervention group, blood pressure was treated to target in 25 patients (69%) versus 14 (38%) in the control group (p = .007). Median time to first event was 44 months (4–49) in the intervention group and 19 months (4–37) in controls (p = .316).ConclusionsTreatment of hypertension to individual targets after stroke is feasible. It may postpone recurrent stroke and death in stroke survivors.
Altered gut bacterial–fungal interkingdom networks in patients with current depressive episode
Authors: Jiang Hai‐yin , Pan Li‐ya , Zhang Xue , Zhang Zhe , Zhou Yuan‐yue , Ruan Bing 
Published: June 2020

AbstractIntroductionBacterial dysbiosis has been described in patients with current depressive episode (CDE); however, the fungal composition in the gut has not been investigated in these patients.MethodsHere, we characterized the fungal gut mycobiota in patients with CDE. We systematically characterized the microbiota and mycobiota in fecal samples obtained from 24 patients with CDE and 16 healthy controls (HC) using 16S rRNA gene‐ and ITS1‐based DNA sequencing, respectively.ResultsIn patients with CDE, bacterial dysbiosis was characterized by an altered composition and reduced correlation network density, and the gut mycobiota was characterized by a relative reduction in alpha diversity and altered composition. Most notably, the CDE group had higher levels of Candida and lower level of Penicillium than the HC group. Compared with the HC group, the gut microbiota in patients with CDE displayed a significant disruption in the bacteria–fungi correlation network suggestive of altered interkingdom interactions. Furthermore, a gut microbial index based on the combination of eight genera (four bacterial and four fungal CDE‐associated genera) distinguished CDE patients from controls with an area under the curve of approximately 0.84, suggesting that the gut microbiome signature is a promising tool for disease classification.ConclusionsOur findings suggest that both bacteria and fungi contribute to gut dysbiosis in patients with CDE. Future studies involving larger cohorts and metagenomic or metabolomic analyses may clarify the structure and potential roles and functions of the gut mycobiome and its impact on the development of CDE.
Identification and characterization of a Triton X‐100 replacement for virus inactivation
Authors: Luo Wen , Hickman Danielle , Keykhosravani Mandana , Wilson Joseph , Fink Jamie , Huang Lihua , Chen Dayue , O'Donnell Sean 
Published: June 2020

AbstractTriton X‐100 detergent treatment is a robust enveloped virus inactivation unit operation included in biopharmaceutical manufacturing processes. However, the European Commission officially placed Triton X‐100 on the Annex XIV authorization list in 2017 because a degradation product of Triton X‐100, 4‐(1,1,3,3‐tetramethylbutyl) phenol (also known as 4‐tert‐octylphenol), is considered to have harmful endocrine disrupting activities. As a result, the use of Triton X‐100 in the European Economic Area (EEA) would not be allowed unless an ECHA issued authorization was granted after the sunset date of January 4, 2021. This has prompted biopharmaceutical manufacturers to search for novel, environment‐friendly alternative detergents for enveloped virus inactivation. In this study, we report the identification of such a novel detergent, Simulsol SL 11W. Simulsol SL 11W is an undecyl glycoside surfactant produced from glucose and C11 fatty alcohol. We report here that Simulsol SL 11W was able to effectively inactive enveloped viruses, such as xenotropic murine leukemia virus (XMuLV) and pseudorabies virus (PRV). By using XMuLV as a representative enveloped virus, the influence of various parameters on the effectiveness of virus inactivation was evaluated. Virus inactivation by Simulsol SL 11W was effective across different clarified bioreactor harvests at broad concentrations, pH, and temperature ranges. Simulsol SL 11W concentration, temperature of inactivation, and treatment time were identified as critical process parameters for virus inactivation. Removal of Simulsol SL 11W was readily achieved by Protein A chromatography and product quality was not affected by detergent treatment. Taken together, these results have shown the potential of Simulsol SL 11W as a desirable alternative to Triton X‐100 for enveloped virus inactivation that could be readily implemented into biopharmaceutical manufacturing processes.