bluuebunny/crossref_metadata_2025_split huggingface dataset:
Direct Electrochemical Ammonia Synthesis from Nitric Oxide
Authors: Long Jun , Chen Shiming , Zhang Yunlong , Guo Chenxi , Fu Xiaoyan , Deng Dehui , Xiao Jianping 
Published: March 2020

AbstractNO removal from exhausted gas is necessary owing to its damage to environment. Meanwhile, the electrochemical ammonia synthesis (EAS) from N2 suffers from low reaction rate and Faradaic efficiency (FE). Now, an alternative route for ammonia synthesis is proposed from exhaust NO via electrocatalysis. DFT calculations indicate electrochemical NO reduction (NORR) is more active than N2 reduction (NRR). Via a descriptor‐based approach, Cu was screened out to be the most active transition metal catalyst for NORR to NH3 owing to its moderate reactivity. Kinetic barrier calculations reveal NH3 is the most preferred product relative to H2, N2O, and N2 on Cu. Experimentally, a record‐high EAS rate of 517.1 μmol cm−2 h−1 and FE of 93.5 % were achieved at −0.9 V vs. RHE using a Cu foam electrode, exhibiting stable electrocatalytic performances with a 100 h run. This work provides an alternative strategy to EAS from exhaust NO, coupled with NO removal.
Vancomycin Resistance Is Overcome by Conjugation of Polycationic Peptides
Authors: Umstätter Florian , Domhan Cornelius , Hertlein Tobias , Ohlsen Knut , Mühlberg Eric , Kleist Christian , Zimmermann Stefan , Beijer Barbro , Klika Karel D. , Haberkorn Uwe , Mier Walter , Uhl Philipp 
Published: March 2020

AbstractMultidrug‐resistant bacteria represent one of the biggest challenges facing modern medicine. The increasing prevalence of glycopeptide resistance compromises the efficacy of vancomycin, for a long time considered as the last resort for the treatment of resistant bacteria. To reestablish its activity, polycationic peptides were conjugated to vancomycin. By site‐specific conjugation, derivatives that bear the peptide moiety at four different sites of the antibiotic were synthesized. The most potent compounds exhibited an approximately 1000‐fold increased antimicrobial activity and were able to overcome the most important types of vancomycin resistance. Additional blocking experiments using d‐Ala‐d‐Ala revealed a mode of action beyond inhibition of cell‐wall formation. The antimicrobial potential of the lead candidate FU002 for bacterial infection treatments could be demonstrated in an in vivo study. Molecular imaging and biodistribution studies revealed that conjugation engenders superior pharmacokinetics.
Synthesis of secondary amine‐based fluorescent porous organic polymers via Friedel–Crafts polymerization reaction for adsorbing and fluorescent sensing iodine
Authors: Geng Tongmou , Liu Min , Zhang Can , Hu Chen , Xu Heng 
Published: March 2020

AbstractWe present the preparation and characterization of a novel class of secondary amine‐based porous organic polymers (POPs: TDPA and TTPBTA), and their iodine adsorption, fluorescence sensing properties for the first time. Two secondary amine‐based POPs were synthetized by Friedel−Crafts polymerization reaction catalyzed via methylsulfonic acid with yields of 22.51 and 54.44%. The thermal stability of resulting POPs run up to above 268 and 568°C, and their BET specific surface areas are 56.5 and 2.49 m2 g−1, respectively. Their iodine adsorption and fluorescent sensing properties are comparable to that of triphenylamine (TPA)‐based (tertiary amine) POPs. The resulting POPs display excellent sorption abilities to iodine molecules with the iodine adsorption capacity of about 3.93 and 1.64 g g−1. Adsorbed iodine is easily desorbed by heating or washing with organic solvents, which make them reusable. They can also adsorb iodine from cyclohexane solution. Moreover, the POPs possess excellent fluorescent sensing property for I2 with Ksv of 1.85 × 104 and 6.56 × 104 L mol−1, as well as the limits of detection (LODs) of 1.62 × 10−11 and 6.86 × 10−12 mol L−1. The performance of adsorbing and fluorescence sensing iodine can be explained by electron transfer mechanism.
Rotation anomaly of the Sun
Authors: Kotov Valery A. 
Published: March 2020

AbstractDoes the Sun always rotate correctly? On the basis of the measurements of its mean magnetic field (more than 27 thousand daily values, obtained by seven observatories during 1968–2018) and resonance relations of the solar system, the sidereal spin period of the Sun as a star is determined as 25.165(6) days and that of the solar equator as 25.081(7) days. After 1993, however, a remarkable violation of the solar equatorial rate, through an unknown cause, has happened: the spin coherency of the mean field disintegrated and made way for nearly chaotic variations with quasi‐periods of 24.7–25.4 days. The phenomenon is thought to be tied to anomaly of the Wolf cycles 23 and 24, accompanied presumably by a global change of the Earth's climate (with unclear mechanism of the Sun–Earth influence).
Biotechnological synthesis of water‐soluble food‐grade polyphosphate with Saccharomyces cerevisiae
Authors: Christ Jonas Johannes , Smith Stephanie A. , Willbold Sabine , Morrissey James H. , Blank Lars Mathias 
Published: March 2020

AbstractInorganic polyphosphate (polyP) is the polymer of phosphate. Water‐soluble polyPs with average chain lengths of 2–40 P‐subunits are widely used as food additives and are currently synthesized chemically. An environmentally friendly highly scalable process to biosynthesize water‐soluble food‐grade polyP in powder form (termed bio‐polyP) is presented in this study. After incubation in a phosphate‐free medium, generally regarded as safe wild‐type baker's yeast (Saccharomyces cerevisiae) took up phosphate and intracellularly polymerized it into 26.5% polyP (as KPO3, in cell dry weight). The cells were lyzed by freeze‐thawing and gentle heat treatment (10 min, 70°C). Protein and nucleic acid were removed from the soluble cell components by precipitation with 50 mM HCl. Two chain length fractions (42 and 11P‐subunits average polyP chain length, purity on a par with chemically produced polyP) were obtained by fractional polyP precipitation (Fraction 1 was precipitated with 100 mM NaCl and 0.15 vol ethanol, and Fraction 2 with 1 final vol ethanol), drying, and milling. The physicochemical properties of bio‐polyP were analyzed with an enzyme assay, 31P nuclear magnetic resonance spectroscopy, and polyacrylamide gel electrophoresis, among others. An envisaged application of the process is phosphate recycling from waste streams into high‐value bio‐polyP.
Downscaling screening cultures in a multifunctional bioreactor array‐on‐a‐chip for speeding up optimization of yeast‐based lactic acid bioproduction
Authors: Totaro Damiano , Rothbauer Mario , Steiger Matthias G. , Mayr Torsten , Wang Hsiang‐Yu , Lin Yu‐Sheng , Sauer Michael , Altvater Martin , Ertl Peter , Mattanovich Diethard 
Published: March 2020

AbstractA key challenge for bioprocess engineering is the identification of the optimum process conditions for the production of biochemical and biopharmaceutical compounds using prokaryotic as well as eukaryotic cell factories. Shake flasks and bench‐scale bioreactor systems are still the golden standard in the early stage of bioprocess development, though they are known to be expensive, time‐consuming, and labor‐intensive as well as lacking the throughput for efficient production optimizations. To bridge the technological gap between bioprocess optimization and upscaling, we have developed a microfluidic bioreactor array to reduce time and costs, and to increase throughput compared with traditional lab‐scale culture strategies. We present a multifunctional microfluidic device containing 12 individual bioreactors (Vt = 15 µl) in a 26 mm × 76 mm area with in‐line biosensing of dissolved oxygen and biomass concentration. Following initial device characterization, the bioreactor lab‐on‐a‐chip was used in a proof‐of‐principle study to identify the most productive cell line for lactic acid production out of two engineered yeast strains, evaluating whether it could reduce the time needed for collecting meaningful data compared with shake flasks cultures. Results of the study showed significant difference in the strains' productivity within 3 hr of operation exhibiting a 4‐ to 6‐fold higher lactic acid production, thus pointing at the potential of microfluidic technology as effective screening tool for fast and parallelizable industrial bioprocess development.
On the Electrochemical Reduction of 4‐(Thiazol‐2‐ylazo)‐Substituted 1‐Chloronaphthalenes: Formation and Characterization of Stable Radical Anions
Authors: Dmitrieva Evgenia , Popov Alexey A. , Yu Xiuling , Hartmann Horst 
Published: March 2020

AbstractThe electrochemical reduction of two chloro‐substituted 4‐(thiazol‐2‐ylazo)has been studied by means of spectroelectrochemistry and simulated with the DFT method. Whereas the 1‐chloro‐4‐(4‐chlorothiazol‐2‐ylazo)forms both a stable radical anion and a dianion, the dianion of 1‐chloro‐4‐(thiazol‐2‐ylazo)is instable. In the radical anion of both compounds, the spin densities are high not only at the azo moiety but also at C3 in the naphthalene and at C5 in the thiazole moiety. This is in agreement with former experimental results demonstrating the remarkable reactivity of these positions towards thiols which can act as nucleophiles as well as electron donors.
Na3V2(PO4)3‐Supported Electrospun Carbon Nanofiber Nonwoven Fabric as Self‐Standing Na‐Ion Cell Cathode
Authors: Meligrana G. , Ferrari S. , Lucherini L. , Celè J. , Colò F. , Brugger J. , Ricciardi C. , Ruffo R. , Gerbaldi C. 
Published: March 2020

AbstractSodium‐ion technology is a reliable alternative to lithium‐ion for large‐scale energy storage because of the abundance of sodium sources and related low cost. In this work, we report about a simple fabrication of self‐standing electrodes based on electrospun carbon nanofiber (CNF) loaded with Na3V2(PO4)3 with NASICON framework, which is a promising cathode material that has shown good electrochemical performance when its electrical conductivity is enhanced by a conductive medium. The proposed method is simple, low cost, potentially scalable to fabricate and load cathode support with active materials. The electrochemical tests confirmed the stable cycling performances and the high C‐rate capability of the NVP/CNFs composites, with hundreds of cycles without major degradation of performances. Our work demonstrates that stable, self‐supported, long‐term performing NIB electrodes, ready to use without addition of any performance enhancer, can be obtained by using fast and cost‐efficient procedures suitable to be scaled‐up at an industrial level.
Non‐Flammable Fluorinated Phosphorus(III)‐Based Electrolytes for Advanced Lithium‐Ion Battery Performance
Authors: von Aspern Natascha , Leissing Marco , Wölke Christian , Diddens Diddo , Kobayashi Takeshi , Börner Markus , Stubbmann‐Kazakova Olesya , Kozel Volodymyr , Röschenthaler Gerd‐Volker , Smiatek Jens , Nowak Sascha , Winter Martin , Cekic‐Laskovic Isidora 
Published: March 2020

AbstractIn the quest for ever higher energy and power densities of lithium‐based batteries, numerous functional materials are being utilized, however in many cases their highly reactive nature is likely to increase the risk of danger in case of battery failures. This especially affects the aprotic non‐aqueous organic carbonate‐based electrolyte, still considered as the state‐of‐the‐art (SOTA) and its volatile and highly flammable components. Efforts to identify different forms of flame‐retardants or nonflammable electrolyte solvents/co‐solvents to reduce the risk of fire or explosion are inevitably followed by a trade‐off between the improved safety and deteriorated overall cycling performance of a battery. Here, we report on a smartly tailored, multifunctional nonflammable electrolyte formulation comprising 15.0 wt.% 2‐(2,2,3,3,3‐pentafluoro‐propoxy)‐4‐(trifluormethyl)‐1,3,2‐dioxaphospholane (PFPOEPi‐1CF3), significantly advancing the cycling performance of the NMC111||graphite cells by formation of an effective interphase on/at both anode and cathode and correlate its performance to the 2‐(2,2,3,3,3‐pentafluoropropoxy)‐1,3,2‐dioxaphospholane (PFPOEPi) containing electrolyte counterpart by establishing a strong structure‐reactivity‐performance‐relationship.
Anion‐Anion Complexes Established between Aspartate Dimers
Authors: Miranda Matias O. , Duarte Darío J. R. , Alkorta Ibon 
Published: March 2020

AbstractStable dimers aspartate‐aspartate have been studied in aqueous and gas phase through theoretical simulations. The polarizable continuum model (PCM) has been applied to simulate the effect of the hydration on monomers and complexes. The quantum theory of atoms in molecules (QTAIM) and the interacting quantum atoms (IQA) scheme has been used to inquire into if, in the aqueous phase, individual hydrogen bonds have attractive electrostatic components. In all cases a spontaneous formation of the complexes in the aqueous phase are observed, while in the gas phase a considerable energy barrier must be overcome (between 100.8 to 263.2 kJ mol−1). The intermolecular distance at which this barrier is indicates when the hydrogen‐bond interactions begin to take importance between the dimers and the corresponding molecular recognition among them. The IQA analysis shows that in aqueous phase, the hydrogen bonds N−H⋅⋅⋅O are mainly electrostatic in nature with a certain covalent character which increases linearly with the decrease of internuclear distances H⋅⋅⋅O. The H⋅⋅⋅H interactions observed are stabilizing and they are mainly quantum in nature.
How important are Phase 1 interventions for complex interpersonal trauma? A pilot randomized control trial of a group psychoeducational intervention
Authors: Mahoney Adam , Karatzias Thanos , Halliday Kirsty , Dougal Nadine 
Published: March 2020

AbstractAlthough psychoeducational interventions are recommended as Phase 1 interventions for complex trauma, there is limited evidence on their efficacy. This pilot randomized control trial (RCT) investigated the efficacy of a pure psychoeducational intervention for complex trauma. A brief 10‐session intervention was delivered to n = 44 female prisoners in a compressed format to accommodate short sentence lengths and was compared with usual care (n = 42). Results from an intent‐to‐treat (ITT) analysis indicated that there were no statistically significant differences between the two arms across the three assessment time points (including 1‐month postintervention) for the main outcomes (Behavioural Assessment Checklist‐Revised, β = 4.60, 95% CI [−1.60, 10.88], p = .148; posttraumatic stress disorder [PTSD] Checklist, β = −1.47, 95% CI [−4.30, 1.36], p = .303). Post hoc reliable change analyses suggested twice the number of adequate dose participants made progress in addressing PTSD symptoms compared with usual care (30.3% vs. 17.6%, OR 2.03, 95% CI [.64, 6.43]). Although further work in this area is required, initial results, overall, suggest that psychoeducational group‐based treatment modalities achieve only small effect sizes in comparison with usual care.
Reversible Anion Insertion in Molecular Phenothiazine‐Based Redox‐Active Positive Material for Organic Ion Batteries
Authors: Rajesh Murugesan , Dolhem Franck , Davoisne Carine , Becuwe Matthieu 
Published: March 2020

AbstractThe increasing demand for rechargeable batteries induces the development of greener and better devices. Significant advances have been made in the last decade together with a renewed interest in organic electrode materials. Thus, stable electron‐donating organic materials are candidates for “greener” molecular batteries (metal‐free). Herein, we report the design of a monomeric p‐type N‐substituted phenothiazine salt as an efficient anionic host structure working reversibly in a dual‐ion cell configuration using lithium as the negative electrode. Investigation of different electrolyte salts, LiClO4, LiPF6, and LiTFSI in PC (propylene carbonate), reveals that lithium 4‐(10H‐phenothiazin‐10‐yl) benzoate (LiPHB) exhibits a high operating potential (≈3.7 vs. Li+/Li) corresponding to a one‐electron process with a reversible specific capacity of 86 mAh g−1 in a LiClO4‐based electrolyte, exhibiting an extraordinary cycling stability over 500 cycles at 0.2 C. Such impressive results are rendering LiPHB a promising scaffold for developing next‐generation molecular organic batteries.
Smart Assembly of Sulfide Heterojunction Photocatalysts with Well‐Defined Interfaces for Direct Z‐Scheme Water Splitting under Visible Light
Authors: Li Jin , Liu Xianming , Zhang Jian 
Published: March 2020

AbstractA Z‐scheme photocatalytic water‐splitting system is an effective approach to integrate the advantages both hydrogen‐ and oxygen‐evolution photocatalysts. The interfacial properties of the heterojunctions have a great influence on the efficiency through the crystal orientation and the charge kinetics. In this study, a general chemical vapor deposition process and a gentle cation‐exchange method were combined to assemble Z‐scheme photocatalysts between CdS and MnS. As a result of the well‐defined heterojunction interfaces and distinctive structural benefits, without cocatalysts, the 1 D CdS/MnS hybrid photocatalyst exhibited a significantly increased photocatalytic H2evolution rate of 1595 μmol h−1 g−1(apparent quantum efficiency of 22.6 % atλ=420 nm), which is over 10.5 times higher than that of CdS. Moreover, a better photocatalytic stability is demonstrated over particulate (42 h cycling measurement) and photoelectrochemical (3000 min continuous measurement) systems. Overall, this work provides a unique experimental insight into high‐quality heterojunction interface design and new Z‐scheme photocatalyst synthesis.
Cobalt(II) Tetraaminophthalocyanine‐modified Multiwall Carbon Nanotubes as an Efficient Sulfur Redox Catalyst for Lithium–Sulfur Batteries
Authors: Yang Xiao‐Xia , Du Wen‐Zheng , Li Xu‐Ting , Zhang Yang , Qian Zhao , Biggs Mark James , Hu Cheng 
Published: March 2020

AbstractAn efficient Li–S redox catalyst consisting of MWCNTs covalently modified by cobalt(II) tetraaminophthalocyanines (TaPcCo‐MWCNTs) is developed. Effective lithium polysulfide (LiPS) capturing is enabled by the lithiophilic N‐containing phthalocyanine rings and the sulfiphilic Co central atoms. This adsorption geometry utilizes the Co unoccupied d‐orbitals as electron super‐exchange highways. Elevated kinetics of LiPSs reactions in the liquid phase as well as liquid–solid transitions were revealed by electrochemical measurements and density functional theory calculations. Uniform deposition of Li2S films was also observed, which preserves cathode integrity and sulfur utilization during cell cycling. The catalyzed sulfur redox is also significantly facilitated by the fast electron and Li‐ion transport to and from the reaction sites through the conductive MWCNT skeletons and the lithiophilic substituent amino groups on TaPcCo. With 6 wt % addition of TaPcCo‐MWCNT in the cathode coatings, high sulfur utilization is achieved with areal sulfur loadings of up to 7 mg cm−2. Stable long‐term cycling is achieved at 1 C at a sulfur loading of 5 mg cm−2, with an initial areal capacity of 4.4 mAh cm−2 retention of 3.5 mAh cm−2 after 500 cycles. Considering the high structural diversity of phthalocyanines macromolecules, this study provides opportunities for a new class of Li–S catalysts.
The collision frequency of electron‐neutral‐particle in the weakly ionized plasma with the power‐law velocity distribution
Authors: Sun Futao , Du Jiulin 
Published: March 2020

AbstractWe study the collision frequency of electron‐neutral‐particle in the weakly ionized plasma with the power‐law velocity q‐distribution and derive the formulation of the average collision frequency. We find that the average collision frequency in the q‐distributed plasma also depends strongly on the q‐parameter and thus is generally different from that in the Maxwell‐distributed plasma, which therefore modifies the transport coefficients in the previous studies of the weakly ionized plasmas with the power‐law velocity distributions.
Model for Collaborative Evaluations as a Framework to Foster a Community of Collaborators
Authors: Rodríguez‐Campos Liliana , Mitchell Michael E. , Rincones‐Gómez Rigoberto 
Published: March 2020

AbstractThe Model for Collaborative Evaluations (MCE) denotes an evaluation framework that supports a collaborative community. The six components of the MCE were designed to identify the situation, clarify the expectations, establish a collective commitment, ensure open communication, encourage effective practices, and follow specific guidelines to support collaboration. These six components instill strong relationships and trust among the stakeholders, fostering a community of collaborators that ensures the evaluation will be effective. The MCE uses a systems engineering approach to ensure the collaborative processes of the evaluation run optimally. As an exemplar of the applicability of the MCE, this chapter describes an evaluation of a grant‐funded project, Increasing Diversity in Engineering (IDE), an effort to increase female industrial engineering students’ motivation to complete their programs of study and promote their interest in healthcare engineering. The authors employed two conceptually related phases of the MCE. The formative phase provided feedback to the clients early in the evaluation process, affording an increased chance of achieving a positive outcome at the completion of the project. The summative phase of the evaluation provided information about the value of the project. Professors created a new course, entitled “Healthcare Engineering” and reconfigured the curricula of two existing courses to include material that highlighted healthcare engineering and case studies. In addition, workshops were offered to raise awareness of opportunities in the healthcare engineering field, and a seminar series was produced to focus upon women engineers from local healthcare agencies. The MCE and its application to this project provides lessons learned for evaluators working with collaborative communities and coalitions.
Combined Effect of PNPLA3, TM6SF2, and HSD17B13 Variants on Risk of Cirrhosis and Hepatocellular Carcinoma in the General Population
Authors: Gellert‐Kristensen Helene , Richardson Tom G. , Davey Smith George , Nordestgaard Børge G. , Tybjærg‐Hansen Anne , Stender Stefan 
Published: March 2020

Background and Aims
We hypothesized that a genetic risk score (GRS) for fatty liver disease influences the risk of cirrhosis and hepatocellular carcinoma (HCC). Three genetic variants (patatin‐like phospholipase domain–containing protein 3 [PNPLA3] p.I148M; transmembrane 6, superfamily member 2 [TM6SF2] p.E167K; and hydroxysteroid 17‐beta dehydrogenase 13 [HSD17B13] rs72613567) were combined into a risk score, ranging from 0 to 6 for risk‐increasing alleles.

Approach and Results
We examined the association of the risk score with plasma markers of liver disease and with cirrhosis and HCC in 110,761 individuals from Copenhagen, Denmark, and 334,691 individuals from the UK Biobank. The frequencies of risk scores of 0, 1, 2, 3, 4, and 5 or 6 were 5%, 25%, 41%, 23%, 5.5%, and 0.5%, respectively. A higher GRS was associated with an increase in plasma alanine aminotransferase (ALT) level of 26% in those with score 5 or 6 versus 0. In meta‐analysis of the Copenhagen studies and the UK Biobank, individuals with scores 1, 2, 3, 4, and 5 or 6 had odds ratios (ORs) for cirrhosis of 1.6 (95% confidence interval [CI], 1.3, 1.9), 2.0 (95% CI, 1.8, 2.2), 3.1 (95% CI, 2.7, 3.5), 5.2 (95% CI, 4.2, 6.4), and 12 (95% CI, 7.7, 19), respectively, as compared with those with a score of 0. The corresponding ORs for HCC were 1.2 (95% CI, 0.9, 1.7), 1.0 (95% CI, 0.7, 1.3), 2.4 (95% CI, 1.9, 3.0), 3.3 (95% CI, 2.2, 5.0), and 29 (95% CI, 17, 51).

Conclusion
A GRS for fatty liver disease confers up to a 12‐fold higher risk of cirrhosis and up to a 29‐fold higher risk of HCC in individuals from the general population.