bluuebunny/crossref_metadata_2025_split huggingface dataset:
Theoretical and experimental studies on concerted elimination of 1, 2‐bromochloroethane monocation to C2H4+ and BrCl
Authors: Wu Hua , An Mengdi , Wen Junqing , Bai Lihua , Li Dongming , Liu Jukun , Sun Ruijuan , He Wanlin , Lin Lin , Li Yumei 
Published: August 2020

AbstractAb initio calculations for the concerted elimination of 1, 2‐bromochloroethane monocation (1,2‐C2H4BrCl+) to C2H4+ and BrCl are performed using the Minnesota density functional M06‐2X and the def2‐TZVP basis set. Ab initio calculations are also carried out for the concerted elimination of 1,2‐C2H4BrCl+ to C2H4 and BrCl+ because the positive charge can be assigned to either moiety in the dissociative ionization process of 1,2‐C2H4BrCl+. Our results demonstrate that the concerted elimination channel of 1,2‐C2H4BrCl+ to C2H4+ and BrCl is preferred and that 1,2‐C2H4BrCl+ surpasses two energy barriers and then separates into C2H4+ + BrCl through an asynchronous concerted process. Experimentally, we confirm that this elimination channel is from the dissociative ionization process of 1,2‐C2H4BrCl+ by using dc‐slice imaging technique. The time‐of‐flight mass spectra of 1,2‐bromochloroethane induced by femtosecond laser pulses show that C2H4+ occurs at a laser intensity of 6.0 × 1013 W/cm2, and BrCl+ occurs at a higher laser intensity than C2H4+. This finding is consistent with the theoretical result that the appearance energy of C2H4+ is lower than that of BrCl+. As such, the low‐velocity component of BrCl+ is absent from our sliced images.
Efficient Ni‐Cu/AC Bimetal Catalyst for Hydrogenolysis of Lignin to Produce High‐Value‐Added Chemicals
Authors: Zhang Le , Feng Junfeng , Cai Bo , Zhu Huimin , Zhu Yanqi , Pan Hui 
Published: August 2020

AbstractEfficient depolymerization of natural lignin is the key step to convert lignin to sustainable and added‐value chemicals. In this paper, a carbon‐supported Ni‐Cu bimetallic catalyst was developed for the hydrogenation of poplar lignin and β‐O‐4 model compounds. Five Ni‐Cu bimetallic catalysts were prepared by immobilizing Ni and Cu at fixed Ni loading (5%) and varied Cu loading (0%, 5%, 10%, 20%, 30%) on activated carbon (AC). All the Cu‐Ni/AC bimetal catalysts exhibited higher catalytic activity than either Ni/AC or Cu/AC catalysts. 5Ni‐5Cu/AC gave the highest bio‐oil yield of 40.2 wt% for the hydrogenation of. poplar lignin. The XPS, XRD, and HRTEM characterization of the catalysts showed that elemental copper and Cu‐Ni alloy were formed on the surface of 5Ni‐5Cu/AC catalyst, which could promote the efficient depolymerization of lignin into phenolic monomers. The possible mechanism for the lignin depolymerization was also studied and proposed based on the β‐O‐4 bond model compounds. This study provides a viable strategy for the conversion of lignin into added‐value chemicals with low cost catalyst.
Evaluation of the Base‐Pairing Properties of 5‐(5‐Indolylethynyl) and 5‐(5‐Indolyl)‐2′‐deoxyuridine Modified Triplex and Duplex
Authors: Fatthalla Maha I. , Pedersen Erik B. 
Published: August 2020

AbstractIndole was conjugated to deoxyuridine either directly or via ethynyl linkage to synthesize two new DNA monomers. Due to the high reactivity of indole toward electrophilic substitution reactions, unwanted iodination was observed during the oxidation step with iodine oxidizer in automated DNA synthesizer leading to an additional oligonucleotide having extra 126 mass unit beside the desired oligonucleotide. On the other hand, using CSO oxidizer ensured the formation of the wanted oligonucleotide. Oligonucleotide synthesis was confirmed by MALDI‐TOF‐MS analysis. Polypyrimidine strands containing non‐iodinated indole nucleoside were able to form parallel triplexes, antiparallel RNA and DNA duplexes. The thermal denaturation experiments showed higher triplex stabilization for 5‐(5‐indolylethynyl)‐2′‐deoxyuridine over 5‐(5‐indolyl)‐2′‐deoxyuridine as the triple bond allows twisting to put the indole into a proper position within the triplex encouraging better π‐π stacking.
Synthesis of Core‐Shell Au@TiO2@C Nanoparticles and Their Photocatalytic Properties for the Degradation of Rhodamine B Under Simulated‐Solar Light
Authors: Wang Xue‐qin , Li Dong‐ying , Wang Shi‐peng , Azad Fahad , Su Shi‐chen 
Published: August 2020

AbstractA simple method to synthesize Au@TiO2@C core‐shell sandwich nanoparticles by hydrolysis and depositing carbon quantum dots (CQDs) is reported. The photocatalytic activity of the synthesized material was tested via degrading Rhodamine B (RhB) under simulated‐solar light irradiation. The degradation rate was found in the following order: Au@TiO2@C
P25
Au@TiO2
TiO2. The superior photocatalytic of Au@TiO2@C was attributed to synergistic effect of Au and CQDs. The CQDs layer coated outside benefits in improving absorption efficiency of solar light host and separation of electron‐holes pairs. The Au core can accelerate transfer process of photo excitons which can facilitate photocatalytic reaction.
A study of tensile and compressive properties of hybrid basalt‐polypropylene fiber‐reinforced concrete under uniaxial loads
Authors: Deng Zhiyun , Liu Xinrong , Yang Xin , Liang Ninghui , Yan Ru , Chen Peng , Miao Qingxu , Xu Yihua 
Published: August 2020

AbstractThe tensile and compressive properties of hybrid basalt‐polypropylene fiber‐reinforced concrete (HBPFRC) under uniaxial load were investigated in this study. First, the influence of mono‐basalt fibers, mono‐polypropylene fibers and hybrid fibers with different contents on the stress–strain curve, strength, and toughness of the concrete were analyzed. Second, the tensile and compressive constitutive equations proposed by the Code GB 50010‐2010 were used to fit the stress–strain curves, in which good fitting results are obtained. Finally, the tensile and compressive mechanism of the HBPFRC were discussed. The results indicated that the better positive hybrid effect for both tensile and compressive tests were achieved when the mass ratio of basalt fiber to polypropylene fiber is 1:2 with the total mass of 6 kg/m3. At this time, when compared with the concrete without fibers, the tensile strength and the tensile strain increased by 24 and 55% separately, while the compressive strength and the compressive strain increased by 14 and 36% separately. In addition, the tensile stress–strain curve of HBPFRC can be well fitted by peak tensile strength (ft), peak tensile strain (εt) and tensile shape factor (αt), while the compressive stress–strain curve of HBPFRC can be well matched by peak compressive strength (fc), peak compressive strain (εc) and compressive shape factor (αc).
Semiclassical $$ \mathcal{S} $$-matrix and black hole entropy in dilaton gravity
Authors: Fitkevich Maxim , Levkov Dmitry , Sibiryakov Sergey 
Published: August 2020

Abstract
We use complex semiclassical method to compute scattering amplitudes of a point particle in dilaton gravity with a boundary. This model has nonzero minimal black hole mass Mcr. We find that at energies below Mcr the particle trivially scatters off the boundary with unit probability. At higher energies the scattering amplitude is exponentially suppressed. The corresponding semiclassical solution is interpreted as formation of an intermediate black hole decaying into the final-state particle. Relating the suppression of the scattering probability to the number of the intermediate black hole states, we find an expression for the black hole entropy consistent with thermodynamics. In addition, we fix the constant part of the entropy which is left free by the thermodynamic arguments. We rederive this result by modifying the standard Euclidean entropy calculation.
Wissensgenerierung mit und für nichtakademische Akteur*innen
Authors: Volmer Ann-Kathrin 
Published: August 2020

ZusammenfassungDieser Artikel zeigt beispielhaft Forschungsprozesse und Methoden, die eine emanzipierte Koproduktion von Wissen zwischen akademischen und nichtakademischen Akteur*innen ermöglichen. Basis der Überlegungen sind dekoloniale Ansätze bezogen auf die Kolonialität des Wissens. Sie bieten Konzepte an, wie Herrschaftsverhältnisse im Forschungsprozess bedacht werden können. Am Beispiel des Forschungszentrums für Förderung und soziale Innovation der Entwicklung der Kaffeekultur im kolumbianischen Bundesstaat Cauca (Cicaficultura) werden konkrete Methoden beschrieben, welche diese dekolonialen Konzepte umsetzen. Sie berücksichtigen, dass die Deutungshoheit über die Problemdefinition und Forschungsmethoden zwischen akademischen und nichtakademischen Akteur*innen geteilt werden. Durch diesen machtsensiblen Zugang werden Forschungsergebnisse erzielt, die für beide Akteur*innengruppen relevant sind. Dieser Artikel versteht sich als ein Impuls für die (forschende) Vermittlung zwischen kritischer und angewandter Geographie.
Access Prices Indexed to Geographical Coverage of Innovative Telecom Services
Authors: Henriques David 
Published: August 2020

AbstractThe literature on access prices and investment has suggested that firms under-invest when subject to an access provision obligation combined with a fixed access price per consumer. In this paper, I study an access price per consumer for an innovative service such as superfast broadband provided by a regulated firm that is a function of its geographical coverage (indexation approach). The indexation approach can enhance economic efficiency beyond what is achieved with a fixed access price under a set of standard assumptions. In particular, it can simultaneously induce the firms to set lower retail prices, lead to wider geographical coverage of innovative services and higher social welfare level compared with a fixed access price. Moreover, in the model, the indexation may be used to achieve approximately the Ramsey outcome, or the first-best coverage level. I address how a regulator can set the access price indexation optimally, based on the coverage cost plus an incentive. I highlight the potential role of indexation as a tool to reduce the need for public subsidies and the associated tax distortions when compared with a fixed access price.
Role of Immunomodulators in Functional Cure Strategies for HBV
Authors: Binder Benedikt , Hofmann Maike , Thimme Robert 
Published: August 2020

Abstract
Purpose of Review
Chronic Hepatitis B Virus (HBV) Infection is a major global health burden. Currently, a curative therapy does not exist; thus, there is an urgent need for new therapeutical options. Viral elimination in the natural course of infection results from a robust and multispecific T and B cell response that, however, is dysfunctional in chronically infected patients. Therefore, immunomodulatory therapies that strengthen the immune responses are an obvious approach trying to control HBV infection. In this review, we summarize the rationale and current options of immunological cure of chronic HBV infection.

Recent Findings
Recently, among others, drugs that stimulate the innate immune system or overcome CD8+ T cell exhaustion by checkpoint blockade, and transfer of HBV-specific engineered CD8+ T cells emerged as promising approaches.

Summary
HBV-specific immunity is responsible for viral control, but also for immunopathogenesis. Thus, the development of immunomodulatory therapies is a difficult process on a thin line between viral control and excessive immunopathology. Some promising agents are under investigation. Nevertheless, further research is indispensable in order to optimally orchestrate immunostimulation.
Animal Models of CMT2A: State-of-art and Therapeutic Implications
Authors: De Gioia Roberta , Citterio Gaia , Abati Elena , Nizzardo Monica , Bresolin Nereo , Comi Giacomo Pietro , Corti Stefania , Rizzo Federica 
Published: August 2020

AbstractCharcot–Marie–Tooth disease type 2A (CMT2A), arising from mitofusin 2 (MFN2) gene mutations, is the most common inherited axonal neuropathy affecting motor and sensory neurons. The cellular and molecular mechanisms by whichMFN2mutations determine neuronal degeneration are largely unclear. No effective treatment exists for CMT2A, which has a high degree of genetic/phenotypic heterogeneity. The identification of mutations inMFN2has allowed the generation of diverse transgenic animal models, but to date, their ability to recapitulate the CMT2A phenotype is limited, precluding elucidation of its pathogenesis and discovery of therapeutic strategies. This review will critically present recent progress in in vivo CMT2A disease modeling, discoveries, drawbacks and limitations, current challenges, and key reflections to advance the field towards developing effective therapies for these patients.
Evaluating the accuracy of ALS-based removal estimates against actual logging data
Authors: Vähä-Konka Ville , Maltamo Matti , Pukkala Timo , Kärhä Kalle 
Published: August 2020

Abstract
Key message

We examined the accuracy of the stand attribute data based on airborne laser scanning (ALS) provided by the Finnish Forest Centre. The precision of forest inventory data was compared for the first time with operative logging data measured by the harvester.

Context
Airborne laser scanning (ALS) is increasingly used together with models to predict the stand attributes of boreal forests. The information is updated by growth models. Information produced by remote sensing, model prediction, and growth simulation needs field verification. The data collected by harvesters on logging sites provide a means to evaluate and verify the accuracy of the ALS-based data.

Aims
This study investigated the accuracy of ALS-based forest inventory data provided by the Finnish Forest Centre at the stand level, using harvester data as the reference. Special interest was on timber assortment volumes where the quality reductions of sawlog are model predictions in ALS-based data and true realized reductions in the logging data.

Methods
We examined the accuracy of total volume and timber assortment volumes by comparing ALS-based data and operative logging data measured by a harvester. This was done both for clear cuttings and thinning sites. Accuracy of the identification of the dominant tree species of the stand was examined using the Kappa coefficient.

Results
In clear-felling sites, the total harvest removals based on ALS and model prediction had a RMSE% of 26.0%. In thinning, the corresponding difference in the total harvested removal was 42.4%. Compared to logged volume, ALS-based prediction overestimated sawlog removals in clear cuttings and underestimated pulpwood removals.

Conclusion
The study provided valuable information on the accuracy of ALS-based stand attribute data. Our results showed that ALS-based data need better methods to predict the technical quality of harvested trees, to avoid systematic overestimates of sawlog volume. We also found that the ALS-based estimates do not accurately predict the volume of trees removed in actual thinnings.
Forecasting the North Atlantic Oscillation index using altimetric sea level anomalies
Authors: Świerczyńska-Chlaściak Małgorzata , Niedzielski Tomasz 
Published: August 2020

AbstractThe objective of this paper is to present a new approach for forecasting NAO index (NAOi) based on predictions of sea level anomalies (SLAs). We utilize significant correlations (Pearson’s r up to 0.69) between sea surface height (SSH) calculated for the North Atlantic (15–65°N, basin-wide) and winter Hurrell NAOi, as shown by Esselborn and Eden (Geophys Res Lett 28:3473–3476, 2001).
We consider the seasonal and monthly data of Hurrell NAOi, ranging from 1993 to 2017. Weekly prognoses of SLA are provided by the Prognocean Plus system which uses several data-based models to predict sea level variation. Our experiment consists of three steps: (1) we calculate correlation between the first principal component (PC1) of SSH/SLA data and NAOi, (2) we determine coefficients of a linear regression model which describes the relationship between winter NAOi and PC1 of SLA data (1993–2013), (3) we build two regression models in order to predict winter NAOi (by attaching SLA forecasts and applying coefficients of the fitted regression models). The resulting 3-month prognoses of winter NAOi are found to reveal mean absolute errors of 1.5 or less. The choice of method for preparing SLA data for principal component analysis is shown to have a stronger impact on the prediction performance than the selection of SLA prediction method itself.
Circulating dipeptidyl peptidase-4 is independently associated with the presence and severity of NAFLD/NASH in individuals with and without obesity and metabolic disease
Authors: Barchetta Ilaria , Ceccarelli Valentina , Cimini Flavia A. , Barone Eugenio , Sentinelli Federica , Coluzzi Mariagrazia , Chiappetta Caterina , Bertoccini Laura , Tramutola Antonella , Labbadia Giancarlo , Di Cristofano Claudio , Silecchia Gianfranco , Leonetti Frida , Cavallo Maria G. 
Published: August 2020

Abstract
Introduction
Dipeptidyl peptidase 4 (DPP4) levels are associated to metabolic and cardiovascular diseases in humans; initial evidence reported a relationship between DPP4 and chronic liver diseases. Aim of this study was to investigate hepatic and systemic DPP4 levels/activity in relation to NAFLD/NASH in individuals with and without metabolic disease.

Methods
We recruited fifty-two obese individuals undergoing bariatric surgery and intra-operative liver biopsy at Sapienza University, Rome, Italy. The association between DPP4 levels/activity and NAFLD was also evaluated in 126 non-obese individuals recruited in the same setting.

Results
NAFLD patients had significantly higher circulating DPP4 activity than no-NAFLD in both the obese and non-obese cohorts; plasma DPP4 activity and levels linearly correlated with steatosis grade and inflammation at the liver biopsy. Hepatic DPP4 mRNA was not associated to either its circulating levels/activity or NAFLD. In the multivariate logistic regression analysis on all the study participants (n = 178), higher circulating DPP4 activity was associated with NAFLD independently of potential confounders with OR (95% CI): 3.5 (1.2–10.21), p = 0.022.

Conclusions
This study demonstrates the coexistence of increased plasma DPP4 levels and activity in NAFLD. Circulating DPP4 measurement may represent a novel cost-effective strategy for NAFLD/NASH risk stratification and a potential tool for monitoring disease’s progression in established NAFLD.
Single versus dual blockade of the renin-angiotensin system in patients with IgA nephropathy
Authors: Lennartz David Paul , Seikrit Claudia , Wied Stephanie , Fitzner Christina , Eitner Frank , Hilgers Ralf-Dieter , Rauen Thomas , Floege Jürgen 
Published: August 2020

Abstract
Background
Inhibitors of the renin-angiotensin system (RAS) are cornerstones of supportive therapy in patients with IgA nephropathy (IgAN). We analyzed the effects of single versus dual RAS blockaQueryde during our randomized STOP-IgAN trial.

Methods
STOP-IgAN participants with available successive information on their RAS treatment regimen and renal outcomes during the randomized 3-year trial phase were stratified post hoc into two groups, i.e. patients under continuous single or dual RAS blocker therapy over the entire 3 years of the trial phase. Primary and secondary STOP-IgAN trial endpoints, i.e. frequencies of full clinical remission, eGFR-loss ≥ 15 and ≥ 30 ml/min/1.73 m2 and ESRD onset, were analyzed by logistic regression and linear mixed effects models.

Results
Among the 112 patients included in the present analysis, 82 (73%) were maintained on single and 30 (27%) on dual RAS inhibitor therapy throughout the trial. Neither RAS blocker strategy significantly affected full clinical remission, eGFR-loss rates, onset of ESRD. Proteinuria moderately increased in patients under dual RAS blockade by 0.1 g/g creatinine during the 3-year trial phase. This was particularly evident in patients without additional immunosuppression during the randomized trial phase, where proteinuria increased by 0.2 g/g creatinine in the dual RAS blockade group. In contrast, proteinuria decreased in patients under single RAS blocker therapy by 0.3 g/g creatinine. The course of eGFR remained stable and did not differ between the RAS treatment strategies.

Conclusion
In the STOP-IgAN cohort, neither RAS blocker regimen altered renal outcomes. Patients on dual RAS blockade even exhibited higher proteinuria over the 3-year trial phase.
An Ultra-Durable Windmill-Like Hybrid Nanogenerator for Steady and Efficient Harvesting of Low-Speed Wind Energy
Authors: Zhang Ying , Zeng Qixuan , Wu Yan , Wu Jun , Yuan Songlei , Tan Dujuan , Hu Chenguo , Wang Xue 
Published: August 2020

AbstractWind energy is one of the most promising and renewable energy sources; however, owing to the limitations of device structures, collecting low-speed wind energy by triboelectric nanogenerators (TENGs) is still a huge challenge. To solve this problem, an ultra-durable and highly efficient windmill-like hybrid nanogenerator (W-HNG) is developed. Herein, the W-HNG composes coupled TENG and electromagnetic generator (EMG) and adopts a rotational contact-separation mode. This unique design efficiently avoids the wear of friction materials and ensures a prolonged service life. Moreover, the generator group is separated from the wind-driven part, which successfully prevents rotation resistance induced by the friction between rotor and stator in the conventional structures, and realizes low-speed wind energy harvesting. Additionally, the output characteristics of TENG can be complementary to the different performance advantages of EMG to achieve a satisfactory power production. The device is successfully driven when the wind speed is 1.8 m s−1, and the output power of TENG and EMG can achieve 0.95 and 3.7 mW, respectively. After power management, the W-HNG has been successfully applied as a power source for electronic devices. This work provides a simple, reliable, and durable device for improved performance toward large-scale low-speed breeze energy harvesting.
SCR-Filter Model Order Reduction (2): Proper Orthogonal Decomposition and Artificial Neural Network
Authors: Olowojebutu Seun , Steffen Thomas , Bush Phillip 
Published: August 2020

AbstractCatalysed diesel particulate filters (DPF) have been described as multifunctional reactor systems. Integration of selective catalytic reduction (SCR) functionality in the DPF creates an SCR-in-DPF system that achieves nitrous oxides (NOx) treatment along with particulate matter (PM) collection. The physical and chemical aspects of the integrated SCR-filter complicate system modelling. The goal of this work is to develop low-complexity model of the SCR-filter system which retains high fidelity. A high-fidelity model of the SCR-coated filter has been developed and validated. The performance of the model was described in a previous paper. Model complexity reduction is attempted in this paper. The objective is to achieve simulation times that can support the deployment of the model for online system control in an engine control unit. Two approaches were taken for the SCR-coated filter model order reduction (MOR): a “grey-box” approach via proper orthogonal decomposition (POD) and a “black box” approach via artificial neural network (ANN) function approximation. The POD method is shown to deliver a significant MOR while maintaining a high degree of fidelity but with less than 5% improvement in simulation time. The ANN method delivers a substantial MOR with reduction of three orders of magnitude in simulation time. The accuracy of the ANN model is satisfactory with good generalisation to new test data but noticeably inferior to the POD method.