bluuebunny/crossref_metadata_2025_split huggingface dataset:
Function and Application of Defect Chemistry in High‐Capacity Electrode Materials for Li‐Based Batteries
Authors: Qiao Zhensong , Lin Liang , Yan Xiaolin , Guo Weibin , Chen Qiulin , Xie Qingshui , Han Xiao , Lin Jie , Wang Laisen , Peng Dong‐Liang 
Published: September 2020

AbstractCurrent commercial Li‐based batteries are approaching their energy density limitation, yet still cannot satisfy the energy density demand of the high‐end devices. Hence, it is critical to developing advanced electrode materials with high specific capacity. However, these electrode materials are facing challenges of severe structural degradation and fast capacity fading. Among various strategies, constructing defects in electrode materials holds great promise in addressing these issues. Herein, we summarize a series of significant defect engineering in the high‐capacity electrode materials for Li‐based batteries. The detailed retrospective on defects specification, function mechanism, and corresponding application achievements on these electrodes are discussed from the view of point, line, planar, volume defects. Defect engineering can not only stabilize the structure and enhance electric/ionic conductivity, but also act as active sites to improve the ionic storage and bonding ability of electrode materials to Li metal. We hope this review can spark more perspectives on evaluating high‐energy‐density Li‐based batteries.
Interaction of the nitrosyl ruthenium complex [RuII (NH.NHq‐R)(tpy)NO]3+ with human serum albumin: a spectroscopic and computational investigation
Authors: Bessas Naiara Cristina , da Silva Letícia Alves , Comar Júnior Moacyr , de Lima Renata Galvão 
Published: September 2020

AbstractThe interaction between two nitrosyl ruthenium complexes [Ru (NH.NHq–COOH)(tpy)NO](PF6)3 (RuBDQ) and [Ru (NH.NHq–H)(tpy)NO](PF6)3 (RuBD) and human serum albumin (HSA) was investigated using spectroscopic and computational methods. From fluorescence experiments, a dynamic quenching mechanism and binding constants at a single site demonstrated the higher stability of the RuBDQ–HSA system at 308 K compared with RuBD–HSA. Thermodynamic parameters indicated that binding of RuBDQ and RuBD to HSA was mainly driven by hydrophobic interaction and hydrogen bonding, respectively. Synchronous fluorescence and FT‐IR results suggested that interactions between both nitrosyl ruthenium complexes and HSA affected protein conformation. Competition experiments revealed that RuBDQ and RuBD bound to Sudlow sites I and II, respectively. Molecular docking results showed that RuBDQ interacted with Ser‐192 and Ala‐291 residues via hydrogen bonding and polar contact, respectively, whereas RuBD associated with Asn‐391 via a polar interaction. Noncovalent interaction results suggested that van der Waals interactions were the main binding forces for both systems, i.e. RuBDQ associated with Trp‐214 via van der Waals interaction and with Ty‐150 via dipole–dipole bonding, whereas RuBD associated with Tyr‐452 via van der Waals forces. The Asp‐391 residue interacted with the nitrosyl ligand via polar contact and the terpyridine ligand via van der Waals interaction.
A copper‐specific microbial fuel cell biosensor based on riboflavin biosynthesis of engineered Escherichia coli
Authors: Zhou Tuoyu , Li Rong , Zhang Shuting , Zhao Shuai , Sharma Monika , Kulshrestha Saurabh , Khan Aman , Kakade Apurva , Han Huawen , Niu Yongyan , Li Xiangkai 
Published: September 2020

AbstractCopper pollution poses a serious threat to the aquatic environment; however, in situ analytical methods for copper monitoring are still scarce. In the current study, Escherichia coli Rosetta was genetically modified to express OprF and ribB with promoter Pt7 and PcusC, respectively, which could synthesize porin and senses Cu2+ to produce riboflavin. The cell membrane permeability of this engineered strain was increased and its riboflavin production (1.45–3.56 μM) was positively correlated to Cu2+ (0–0.5 mM). The biosynthetic strain was then employed in microbial fuel cell (MFC) based biosensor. Under optimal operating parameters of pH 7.1 and 37°C, the maximum voltage (248, 295, 333, 352, and 407 mV) of the constructed MFC biosensor showed a linear correlation with Cu2+ concentration (0.1, 0.2, 0.3, 0.4, 0.5 mM, respectively; R2 = 0.977). The continuous mode testing demonstrated that the MFC biosensor specifically senses Cu2+ with calculated detection limit of 28 μM, which conforms to the common Cu2+ safety standard (32 μM). The results obtained with the developed biosensor system were consistent with the existing analytical methods such as colorimetry, flame atomic absorption spectrometry, and inductively coupled plasma optical emission spectrometry. In conclusion, this MFC‐based biosensor overcomes the signal conversion and transmission problems of conventional approaches, providing a fast and economic analytical alternative for in situ monitoring of Cu2+ in water.
Australasian ACPGBI risk prediction model for 30-day mortality after colorectal cancer surgery
Authors: Wilkins S , Oliva K , Chowdhury E , Ruggiero B , Bennett A , Andrews E J , Dent O , Chapuis P , Platell C , Reid C M , McMurrick P J 
Published: September 2020

Abstract

Background
Postoperative mortality after colorectal cancer surgery varies across hospitals and countries. The aim of this study was to test the Association of Coloproctologists of Great Britain and Ireland (ACPGBI) models as predictors of 30-day mortality in an Australian cohort.

Methods
Data from patients who underwent surgery in six hospitals between 1996 and 2015 (CRC data set) were reviewed to test ACPGBI models, and patients from 79 hospitals in the Bi-National Colorectal Cancer Audit between 2007 and 2016 (BCCA data set) were analysed to validate model performance. Recalibrated models based on ACPGBI risk models were developed, tested and validated on a data set of Australasian patients.

Results
Of 18 752 patients observed during the study, 6727 (CRC data set) and 3814 (BCCA data set) were analysed. The 30-day mortality rate was 1·1 and 3·5 per cent in the CRC and BCCA data sets respectively. Both the original and revised ACPGBI models overestimated 30-day mortality for the CRC data set (observed to expected (O/E) ratio 0·17 and 0·21 respectively). Their ability to correctly predict mortality risk was poor (P &lt; 0·001, Hosmer–Lemeshow test); however, the area under the curve for both models was 0·88 (95 per cent c.i. 0·85 to 0·92) showing good discriminatory power to classify 30-day mortality. The recalibrated original model performed well for calibration and discrimination, whereas the recalibrated revised model performed well for discrimination but not for calibration. Risk prediction was good for both recalibrated models. On external validation using the BCCA data set, the recalibrated models underestimated mortality risk (O/E ratio 3·06 and 2·98 respectively), whereas both original and revised ACPGBI models overestimated the risk (O/E ratio 0·48 and 0·69). All models showed similar good discrimination.

Conclusion
The original and revised ACPGBI models overpredicted risk of 30-day mortality. The new Australasian calibrated ACPGBI model needs to be tested further in clinical practice.
An examination of sustainable development of supply chain using foreignness perspective
Authors: Joardar Arpita , Sarkis Joseph 
Published: September 2020

AbstractThis multidisciplinary paper examines the sustainability of supply chain partners from a foreignness perspective. The arguments draw from the research on institutional theory to explain the underlying mechanisms. We propose and discuss a comprehensive conceptual framework evaluating the relationships of foreignness to economic, social, and environmental sustainability. In addition, we consider contingent factors such as the level of development of supplier's nation, level of global integration of buyer, and type of industry, on sustainable development of focal firms. The direct and contingency frameworks introduced in this paper are presented along with research propositions that provide valuable insight into the sustainable supply chain management from the international business perspective.
Association between patient‐initiated emails and overall 2‐year survival in cancer patients undergoing chemotherapy: Evidence from the real‐world setting
Authors: Coquet Jean , Blayney Douglas W. , Brooks James D. , Hernandez‐Boussard Tina 
Published: September 2020

AbstractPurposePrior studies suggest email communication between patients and providers may improve patient engagement and health outcomes. The purpose of this study was to determine whether patient‐initiated emails are associated with overall survival benefits among cancer patients undergoing chemotherapy.Patients and methodsWe identified patient‐initiated emails through the patient portal in electronic health records (EHR) among 9900 cancer patients receiving chemotherapy between 2013 and 2018. Email users were defined as patients who sent at least one email 12 months before to 2 months after chemotherapy started. A propensity score‐matched cohort analysis was carried out to reduce bias due to confounding (age, primary cancer type, gender, insurance payor, ethnicity, race, stage, income, Charlson score, county of residence). The cohort included 3223 email users and 3223 non‐email users. The primary outcome was overall 2‐year survival stratified by email use. Secondary outcomes included number of face‐to‐face visits, prescriptions, and telephone calls. The healthcare teams’ response to emails and other forms of communication was also investigated. Finally, a quality measure related to chemotherapy‐related inpatient and emergency department visits was evaluated.ResultsOverall 2‐year survival was higher in patients who were email users, with an adjusted hazard ratio of 0.80 (95 CI 0.72–0.90; p < 0.001). Email users had higher rates of healthcare utilization, including face‐to‐face visits (63 vs. 50; p < 0.001), drug prescriptions (28 vs. 21; p < 0.001), and phone calls (18 vs. 16; p < 0.001). Clinical quality outcome measure of inpatient use was better among email users (p = 0.015).ConclusionPatient‐initiated emails are associated with a survival benefit among cancer patients receiving chemotherapy and may be a proxy for patient engagement. As value‐based payment models emphasize incorporating the patients’ voice into their care, email communications could serve as a novel source of patient‐generated data.
Guselkumab for hidradenitis suppurativa in a patient with concomitant Crohn’s disease: Report and systematic literature review of effectiveness and safety
Authors: Jørgensen Astrid‐Helene Ravn , Holm Jesper Grønlund , Thomsen Simon Francis 
Published: September 2020

AbstractGuselkumab appears to be safe and effective in the treatment of patients with HS, who do not respond to adalimumab and other systemic therapies. Guselkumab can be used in patients with comorbid Crohn's disease.
A Danish case of bleomycin‐induced flagellate erythema
Authors: Soerensen Christian A. S. , Uldall Pallesen Kristine Appel 
Published: September 2020

AbstractPatients who are undergoing treatment with bleomycin and develop prurigo or rash should be suspected of bleomycin‐induced flagellate erythema and treated early with antihistamines, topical, and oral corticosteroids.
Vanadium Containing Metal‐organic Frameworks as Highly Efficient Catalysts for the Oxidation of Refractory Aromatic Sulfur Compounds
Authors: Jamali Marjan Abdi , Arvani Alireza , Amini Mostafa M. 
Published: September 2020

AbstractThe wet impregnation method was applied to prepare vanadium species on the chromium(III) terephthalate metal‐organic framework (MIL‐101) and on the aluminum fumarate metal‐organic framework (A520), two highly efficient catalysts, as well as vanadium species on the zinc terephthalate metal‐organic framework (MOF‐5), using vanadium(V) oxytributoxide as a precursor. The prepared catalysts were characterized by powder X‐ray diffraction (PXRD), Fourier transform infrared spectroscopy (FT‐IR), scanning electron microscopy (SEM), energy‐dispersive spectroscopy (EDX), N2 sorption measurement (BET), thermal analysis (TGA‐DTA), and X‐ray photoelectron spectroscopy (XPS). The prepared materials were utilized as catalysts for the oxidation of the refractory aromatic sulfur compound, dibenzothiophene (DBT), in a model diesel fuel. The catalytic oxidation of DBT to DBT‐sulfone was performed in the presence of tert‐butyl hydroperoxide (TBHP) under mild operating conditions. The heterogeneous catalysts, OV(OtBu)3−x(OH)x@MIL‐101(Cr), OV(OtBu)3−x(OH)x@A520, and OV(OtBu)3−x(OH)x@MOF‐5 demonstrated activities of 98, 98, and 10 %, respectively, in the oxidative desulfurization (ODS) process at 60 °C. The catalysts were recycled easily and reused without a significant decrease in their activity. The oxidation of DBT to DBT‐sulfone was investigated using gas chromatography, and the formation of DBT‐sulfone was confirmed by FT‐IR and 1H NMR spectroscopies.
Effect of Electrochemical Oxidation on Physicochemical Properties of Fe‐Containing Single‐Walled Carbon Nanotubes
Authors: Leppänen Elli , Sainio Sami , Jiang Hua , Mikladal Bjørn , Varjos Ilkka , Laurila Tomi 
Published: September 2020

AbstractMetal catalysts are necessary for fabricating carbon nanotubes, but are often considered impurities in the end products, and arduous steps are used to remove catalyst residues from the nanotube structure. However, as metals can be electrocatalytic, instead of removing them we can utilize their role in detection of analgesics. Herein, we study the physicochemical properties of Fe‐containing single‐walled carbon nanotubes (SWCNTs), and the effect of simple oxidative pretreatment on them. We show that a gentle anodic pretreatment i) increased the amount of oxidized Fe nanoparticles, most likely exhibiting phases Fe3O4 and Fe2O3 and ii) effectively removed disordered carbonaceous material from SWCNT bundles surfaces. Pretreatment had only a marginal effect on sensitivity towards analgesics. However, interestingly, selectivity of Fe‐SWCNTs towards paracetamol and morphine could be modified with pretreatment. Through this kind of in‐depth investigation, we can, to a certain extent, correlate various material properties of SWCNTs with the observed electrochemical performance. This approach allows us to evaluate what factors in SWCNTs truly affect the electrochemical detection of biomolecules.
Construction of Bridged Polycyclic Skeletons via Transition‐Metal Catalyzed Carbon–Carbon Bond‐Forming Reactions
Authors: Wu Ting , Tang Wenjun 
Published: September 2020

AbstractTransition‐metal catalysis has become one of most important methods for constructing molecules with diverse architectures. Bridged polycyclic skeletons are often considered one of most challenging structures in organic synthesis. This Minireview summarizes the recent progress on synthesis of bridged polycyclic skeletons by transition‐metal‐catalyzed carbon–carbon bond‐forming reaction. Four main ring‐forming strategies including connection via olefin or carbonyl functionality, enolate intermediacy, C−H functionality, and aryl functionality are detailed and some effective methods are discussed with particular emphasis on reaction design and mechanism.
Double Orthogonal Click Reactions for the Development of Antimicrobial Peptide Nanotubes
Authors: González‐Freire Eva , Novelli Federica , Pérez‐Estévez Antonio , Seoane Rafael , Amorín Manuel , Granja Juan R. 
Published: September 2020

AbstractA new class of amphipathic cyclic peptides, which assemble in bacteria membranes to form polymeric supramolecular nanotubes giving them antimicrobial properties, is described. The method is based on the use of two orthogonal clickable transformations to incorporate different hydrophobic or hydrophilic moieties in a simple, regioselective, and divergent manner. The resulting cationic amphipathic cyclic peptides described in this article exhibit strong antimicrobial properties with a broad therapeutic window. Our studies suggest that the active form is the nanotube resulted from the parallel stacking of the cyclic peptide precursors. Several techniques, CD, FTIR, fluorescence, and STEM, among others, confirm the nanotube formation.
Symmetry Breaking Induced by Growth Kinetics: One‐Pot Synthesis of Janus Au−AgBr Nanoparticles
Authors: Takahashi Reki , Fujishima Musashi , Tada Hiroaki , Soejima Tetsuro 
Published: September 2020

AbstractThis study describes a one‐pot synthetic strategy consisting of concerted stabilization and photo and chemical reductions of metal ions to yield precise anisotropic nanostructures. Photoirradiation of an aqueous precursor solution containing Au3+, Ag+, Br−, and polyvinylpyrrolidone (PVP) forms Janus nanoparticles (NPs) composed of Au having a tiny Ag shell and AgBr. The Au NPs are initially generated by photoreduction of Au3+ in the precursor solution, in which the formation of silver halides is strongly inhibited by the coordination bond between Ag+ and the carbonyl groups in PVP. The coordinated PVP chains are adsorbed on the surfaces of the Au NPs, with the concomitant release of free Ag+ ions. The part of the surface of the Au NP is covered with a few Ag atoms via chemical reduction of Ag+ by PVP. AgBr nanocrystals grow at a bare site on the surface of each Au NP, resulting in the formation of nearly monodisperse Janus Au−AgBr NPs in high yield. A characteristic light absorption profile emerges due to the interface formed between Au and AgBr, which is demonstrated by finite‐difference time‐domain simulation. The precise nanostructures may be leveraged to elucidate mechanisms of photoelectrochemical processes and to construct advanced plasmonic photocatalysts.
Sharp Estimate of Global Coulomb Gauge
Authors: Wang Yu 
Published: September 2020

Let A be a W1, 2‐connection on a principal SU(2)‐bundle P over a compact 4‐manifold M whose curvature FA satisfies . Our main result is the existence of a global section σ : M → P with finite singularities on M such that the connection form σ*A satisfies the Coulomb equation d*(σ*A) = 0 and admits a sharp estimate . Here ℒ4, ∞ is a new function space we introduce in this paper that satisfies L4(M) ⊊ ℒ4, ∞(M) ⊊ L4 − ϵ(M) for all ϵ > 0. More precisely, ℒ4, ∞(M) is the collection of measurable function u such that , where L4, ∞ is the classical Lorentz space and su is the L4‐integrability radius function associated to u defined by Briefly speaking, we achieve the estimate of by showing that σ*A is effectively L4‐integrable away from controllably many points on M. © 2020 Wiley Periodicals LLC
Transition Threshold for the 3D Couette Flow in Sobolev Space
Authors: Wei Dongyi , Zhang Zhifei 
Published: September 2020

AbstractIn this paper, we study the transition threshold of the 3D Couette flow in Sobolev space at high Reynolds number Re. It was proved that if the initial velocity v0 satisfies for some c0 > 0 independent of Re, then the solution of the 3D Navier‐Stokes equations is global in time and does not transition away from the Couette flow. This result confirms the transition threshold conjecture proposed by Trefethen et al. in 1993. Moreover, we prove that the long‐time dynamics of the solution behaves as: for t ≲ Re, the solution will experience a transient growth from O(Re−1) to O(c0) due to the 3D lift‐up effect; for t ≳ Re1/3, the solution will rapidly converge to a streak solution due to the mixing‐enhanced dissipation effect. © 2020 Wiley Periodicals LLC
From Electronic Waste to Suzuki−Miyaura Cross‐Coupling Reaction in Water: Direct Valuation of Recycled Palladium in Catalysis
Authors: Lacanau Valentin , Bonneté Françoise , Wagner Patrick , Schmitt Martine , Meyer Daniel , Bihel Frédéric , Contino‐Pépin Christiane , Bourgeois Damien 
Published: September 2020

AbstractInvited for this month′s cover is the group of Damien Bourgeois at the Marcoule Institute for Separation Chemistry (ICSM). The image shows how a short process chain can efficiently transform our waste into an active catalyst. The Full Paper itself is available at 10.1002/cssc.202001155.
Intratumoral administration of the Toll‐like receptor 7/8 agonist 3M‐052 enhances interferon‐driven tumor immunogenicity and suppresses metastatic spread in preclinical triple‐negative breast cancer
Authors: Zanker Damien J , Spurling Alex J , Brockwell Natasha K , Owen Katie L , Zakhour Jasmine M , Robinson Tina , Duivenvoorden Hendrika M , Hertzog Paul J , Mullins Stefanie R , Wilkinson Robert W , Parker Belinda S 
Published: September 2020

AbstractObjectivesLoss of tumor‐inherent type I interferon (IFN) signalling has been closely linked to accelerated metastatic progression via decreased immunogenicity and antitumor immunity. Previous studies in murine models of triple‐negative breast cancer (TNBC) demonstrate that systemic IFN inducers are effective antimetastatic agents, via sustained antitumor CD8+ T‐cell responses. Repeated systemic dosing with recombinant IFNs or IFN inducers is associated with significant toxicities; hence, the use of alternate intratumoral agents is an active area of investigation. It is critical to investigate the impact of intratumoral agents on subsequent metastatic spread to predict clinical impact.MethodsIn this study, the local and systemic impact of the intratumoral Toll‐like receptor (TLR) 7/8 agonist 3M‐052 alone or in combination with anti‐PD1 was evaluated in metastatic TNBC models. The IFN‐α receptor (IFNAR1) blocking antibody, MAR1‐5A3, along with immune‐deficient mice and ex vivo assays are utilised to examine the key targets of this agent that are critical for an antimetastatic response.ResultsSingle intratumoral administration of 3M‐052 reduced mammary tumor growth, induced a T‐cell‐inflamed tumor microenvironment (TME) and reduced metastatic spread to lung. Metastasis suppression was reliant on IFN signalling and an antitumor immune response, in contrast to primary tumor growth inhibition, which was retained in NSG and CD8+ T‐cell‐depleted mice. 3M‐052 action was demonstrated via dendritic cell activation and production of type I IFN and other pro‐inflammatory cytokines to initiate a T‐cell‐inflamed TME and promote tumor cell antigen presentation.ConclusionThis work supports neoadjuvant TLR agonist‐based immunotherapeutics as realistic options for immune activation in the TME and long‐term metastatic protection in TNBC.
Repeated hybridization of two closely related gazelle species (Gazella bennettii and Gazella subgutturosa) in central Iran
Authors: Fadakar Davoud , Malekian Mansoureh , Hemami Mahmoud R. , Lerp Hannes , Rezaei Hamid R. , Bärmann Eva V. 
Published: September 2020

AbstractInterspecific hybridization increasingly occurs in the course of anthropogenic actions, such as species translocations and introductions, and habitat modifications or occurs in sympatric species due to the shortage of conspecific mates. Compared with anthropogenically caused hybridization, natural hybridization is more difficult to prove, but both play an important role in conservation. In this study, we detected hybridization of two gazelle sister species, Gazella bennettii (adapted to dry areas) and Gazella subgutturosa (adapted to open plains), in five habitat areas, where G. bennettii naturally occur in central Iran. The hybrids have a nuclear genomic identity (based on two introns), habitat preference, and phenotype of G. bennettii, but the mitochondrial identity (based on cyt b) of G. subgutturosa. We suggest that natural hybridization of female G. subgutturosa and male G. bennettii happened twice in central Iran in prehistoric times, based on the haplotype pattern that we found. However, we found indications of recent hybridization between both species under special circumstances, for example, in breeding centers, due to translocations, or in areas of sympatry due to the shortage of conspecific mates. Therefore, these two species must be kept separately in the breeding centers, and introduction of one of them into the habitat of the other must be strictly avoided.