bluuebunny/crossref_metadata_2025_split huggingface dataset:
The effect of secondary dopants on screen‐printed PEDOT:PSS counter‐electrodes for dye‐sensitized solar cells
Authors: Gemeiner Pavol , Pavličková Michaela , Hatala Michal , Hvojnik Matej , Homola Tomáš , Mikula Milan 
Published: November 2021

AbstractDye‐sensitized solar cells (DSSCs) gained great attention thanks to high conversion efficiency at ambient indoor light and the possibility of low‐cost and eco‐friendly fabrication by printing techniques (screen‐printing) on different flexible or rigid substrates. These properties predetermine the use of DSSCs in current and future Internet of Things portable and wearable applications. However, one of the main problems of the standard DSSC structure lies in an expensive and unstable Pt counter‐electrode (CE) in the liquid electrolyte. Printable conducting polymers, in particular doped poly(3,4‐ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) are the promising alternative. This work presents the preparation of the Pt‐free counter‐electrodes by screen‐printing the water‐based PEDOT:PSS inks and their optimization by adding secondary dopants, that is, ethylene glycol, polyethylene glycol, and dimethyl sulfoxide. Selected secondary dopants influenced the rheological and structural properties, conductivity, and electrochemical behavior of PEDOT:PSS inks and screen‐printed PEDOT:PSS CE. The addition of dopants led to the decreased surface tension of PEDOT:PSS inks, with a subsequent positive effect on better wettability of FTO substrates. The lowest sheet resistance 138 Ω/sq, the highest conductivity 91 S/cm, best electrochemical activity towards triiodide reduction and the highest efficiency of DSSCs was evaluated for screen‐printed PEDOT:PSS CEs doped with 6 wt% of ethylene glycol.
Mid‐infrared properties of a sample of the most compact radio galaxies
Authors: Kosmaczewski Emily , Stawarz Lukasz , Cheung C. C. , Kozieł‐Wierzbowska Dorota , Marchenko Volodymyr , Ostorero Luisa , Siemiginowska Aneta , Sobolewska Malgosia , Wójtowicz Anna 
Published: November 2021

AbstractWe present an analysis of the mid‐infrared properties of the youngest radio galaxies, based on low‐resolution data provided by the WISE satellite. We restrict our analysis to sources with available X‐ray data that constitute the earliest phase of radio galaxy evolution, that is, those classified as gigahertz peaked spectrum and/or compact symmetric objects. We compare the MIR color distribution in our sample to that in the general population of local active galactic nuclei (AGN), in the population of evolved FR II radio galaxies, and also in the population of radio galaxies with recurrent jet activity. We conclude that the triggering of radio jets in AGN does not differentiate between elliptical hosts with substantially different fractions of young stars; instead there is a relationship between the jet duty cycle and the ongoing star formation.
Stellar rotation and its connection to the evolution of hydrogen‐dominated atmospheres of exoplanets
Authors: Kubyshkina Daria 
Published: November 2021

AbstractThe population of known low‐ to intermediate‐mass exoplanets shows a large spread in densities, which is believed to be due to the diversity of planetary atmospheres and thus controlled by planetary atmospheric mass loss. One of the main drivers of long‐term atmospheric escape is the absorption of high‐energy X‐ray + extreme ultraviolet (XUV) radiation from the host star. For main sequence solar‐like stars, rotation and XUV radiation are closely connected, with faster rotating stars being XUV brighter and with both rotation and XUV decreasing with time. This evolution, however, does not follow a unique path, as stars born with the same mass and metallicity can have widely different initial rotation rates. This nonuniqueness holds up to about 1 Gyr, while atmospheric escape from exoplanets is strongest. The atmospheric mass loss through this period is often deciding the future of the planet and its position in the observed population. Therefore, the diversity of possible stellar histories can be an uncertain factor affecting the predictions of population studies. Here, I explore its relevance for different planets and different host stars.
The spatiotemporal availability of crop residue for biofuel feedstock in East and Central‐South China
Authors: Wang Xiaoyu , Han Lipu , Yang Lu , Liu Qiqi , Devlet Abdulgani , Xie Guanghui 
Published: November 2021

AbstractCrop residue resources are known to provide important lignocellulosic biomass that can be used as feedstock. This study evaluates spatiotemporal variation in residue quantities of field crops across seven provinces in East China (EC) and six provinces in Central‐South China (CSC). MATLAB and Map GIS were used to analyze the data, which was collected from yearbooks and the published literature. The results show that cereals such as wheat, maize, and rice comprised the largest crop residue feedstock resource across both regions over the period between 2017 and 2019. Thus, annual total residue amounts were 206 Mt in EC and 243 Mt in CSC. This means that, when expressed as total standard coal equivalent (SCE), the amounts were estimated as 107 Mt in EC and 127 Mt in CSC. Compared with previous research, CSC exhibited the highest crop residue production and potential for biofuels, whereas EC exhibited one of the lowest potentials for biofuels among the six regions of China. This study is the first to evaluate the spatial distribution of annual field residue quantity based on counties in the two regions. The key factors influencing the availability of biofuel feedstock included storage capacity (X3), irrigation acreage (X4), and fertilizer input (X5) while the degree of mechanization also played a role in the CSC region. In contrast, the field residue quantity across the EC region was significantly (P < 0.01) influenced by these three factors. © 2021 Society of Chemical Industry and John Wiley & Sons, Ltd
Climate change affects cell‐wall structure and hydrolytic performance of a perennial grass as an energy crop
Authors: de Freitas Emanuelle N. , Khatri Vinay , Contin Daniele R. , de Oliveira Tássio B. , Contato Alex G. , Peralta Rosane M. , dos Santos Wanderley D. , Martinez Carlos A. , Saddler Jack N. , Polizeli Maria de Lourdes T.M. 
Published: November 2021

AbstractPerennial grasses, such as Panicum maximum, are important alternatives to dedicated energy crops for bioethanol production. This study investigates whether future climate conditions could influence P. maximum cell‐wall structure and hydrolytic performance. To analyze interactions with environmental factors in field conditions, a combined Free‐air Temperature and CO2 Controlled Enhancement (Trop‐T‐FACE) facility was used to investigate the isolated and combined effect of elevated atmospheric CO2 concentration (eC) (600 μmol.mol−1) and elevated temperature (eT) by 2 °C more than the ambient temperature, on cell‐wall composition, cellulose crystallinity, accessibility, and hydrolysis yields. The elevated temperature treatments (eT and eT + eC) exhibited the most pronounced effects on the P. maximum cell wall. Warming reduced the starch content and the crystallinity index (CI) of cellulose and increased the cellulose content. Fluorescent protein‐tagged carbohydrate‐binding modules analysis demonstrated that warming improved total cellulose surface exposure/accessibility in eT and eT + eC by 181% and 132%, respectively. Consequently, glucan conversion yields were improved by 7.07% and 5.37%, showing that warming led to lower recalcitrance in P. maximum biomass, which positively affects its use in biorefineries. This work therefore provides important information from an ecological and economic point of view, allowing us to understand the mitigation process applied by this forage grass under future climate conditions. It might assist in selecting tropical forage grasses that are efficiently adapted to climate change, with a positive effect on bioenergy production. © 2021 Society of Chemical Industry and John Wiley & Sons, Ltd
Techno‐economic and life‐cycle assessment of a wood chips‐based organosolv biorefinery concept for production of lignin monomers and oligomers by base‐catalyzed depolymerization
Authors: Zeilerbauer Lukas , Lindorfer Johannes , Süss Raphaela , Kamm Birgit 
Published: November 2021

AbstractMore wood for technical valorization is to be expected in Europe over the coming years, due to climate change and the bark beetle. To further independence from fossil‐fuel resources a novel approach to the base‐catalyzed depolymerization (BCD) of organosolv lignin into monomers and oligomers, while maximizing yields and minimizing coke formation, was scaled up in a theoretical wood‐based biorefinery with a yearly input of 40 000 t of wood chips. Other process steps were modeled from the literature. A novel work‐up approach was evaluated under laboratory conditions, implemented, and compared with a simulation‐based pervaporation technique. The life‐cycle assessment (LCA) showed that the biorefinery provided a significantly lower global warming potential (GWP) (excluding biogenic carbon) than its fossil counterparts. Moreover, the majority of impacts on the other midpoint categories was also smaller than for the fossil reference. However, after allocating the GWPs, it was evident that subsequent conversion of the C6 fraction to value‐added products is necessary for optimal results. The discounted cash flow analyses for the biorefinery setups (40 to 400 kt year–1) showed that they were not profitable with prices based on fossil references. However, when using higher prices/t from the literature, such as €1615 for monomers, €2000 for oligomers, and €510 for C6 sugars, a positive net present value could be reached at approximately 100 000–120 000 t processed annually. Hence, the conclusion was that a biorefinery utilizing wood not only brings environmental benefits and a reduction in the use of fossil resources but can also be financially beneficial. © 2021 Society of Chemical Industry and John Wiley & Sons, Ltd
4‐(2‐Hydroxyethyl)‐1‐piperazine ethane sulfonic acid repositioning: Amyloid disaggregating agent and its sustained‐release system
Authors: Kim Jaehoon , Kim Dokyoung 
Published: November 2021

AbstractHere, we report the results of experiments regarding the chemical repositioning of 4‐(2‐hydroxyethyl)‐1‐piperazine ethane sulfonic acid (HEPES), a representative buffering agent. In this work, we confirmed that HEPES could disaggregate amyloid plaques, a hallmark of Alzheimer's disease, and we verified its sustained‐release system (release for up to 2 weeks) via hybridization with a biocompatible polymer (Eudragit S100).
A NIR Emitting Cyanine with Large Stokes’ Shift for Mitochondria and Identification of their Membrane Potential Disruption
Authors: Bertman Keti A. , Abeywickrama Chathura S. , Pang Yi 
Published: November 2021

AbstractAn NIR emitting (λem≈730 nm) cyanine probe ExCy was synthesized in good yields by extending the π‐conjugation length (i. e., with furan moiety) to the donor‐accepter system. ExCy exhibited a large Stokes’ shift (Δλ≈100 nm) due to strong intramolecular charge transfer (ICT), and high fluorescence quantum yield (Φfl≈0.47 in DCM). Due to its low fluorescence in an aqueous environment (Φfl≈0.007 in H2O), the probe exhibited the potential of achieving a large fluorescence turn‐on upon entering a hydrophobic cellular environment. Fluorescence confocal microscopy studies revealed that ExCy was readily excitable with a far‐red laser line (i. e., 640 nm) while the corresponding emission was collected in the NIR region. ExCy exhibited excellent selectivity towards live cell mitochondria according to the co‐localization studies. The probe also exhibited high photostability, long‐term imaging ability and wash‐free staining ability, when being applied to live cells. Our studies indicated that the mitochondrial localization of ExCy was dependent on the membrane potential of the mitochondria. ExCy was successfully utilized as a mitochondrial membrane potential dysfunction indicator to visually identify cells with mitochondrial dysfunction via fluorescence confocal microscopy. ExCy was further examined for potential in vivo imaging of zebrafish.
Self‐Assembly of Unprotected Dipeptides into Hydrogels: Water‐Channels Make the Difference
Authors: Bellotto Ottavia , Kralj Slavko , Melchionna Michele , Pengo Paolo , Kisovec Matic , Podobnik Marjetka , De Zorzi Rita , Marchesan Silvia 
Published: November 2021

AbstractUnprotected dipeptides are attractive building blocks for environmentally friendly hydrogel biomaterials by virtue of their low‐cost and ease of preparation. This work investigates the self‐assembling behaviour of the distinct stereoisomers of Ile‐Phe and Phe‐Ile in phosphate buffered saline (PBS) to form hydrogels, using transmission electron microscopy (TEM), attenuated total reflectance infrared spectroscopy (ATR‐IR), circular dichroism (CD), and oscillatory rheometry. Each peptide purity and identity was also confirmed by 1H‐ and 13C‐NMR spectroscopy and HPLC‐MS. Finally, single‐crystal XRD data allowed the key interactions responsible for the supramolecular packing into amphipathic layers or water‐channels to be revealed. The presence of the latter in the crystal structure is a distinctive feature of the only gelator of this work that self‐organizes into stable hydrogels, with fast kinetics and the highest elastic modulus amongst its structural isomers and stereoisomers.
An infant with X‐linked anhidrotic ectodermal dysplasia with immunodeficiency presenting with Pneumocystis pneumonia: A case report
Authors: Toyohara Miwako , Kajiho Yuko , Toyofuku Etsushi , Takahashi Chie , Owada Keiho , Kanda Shoichiro , Harita Yutaka , Ohnishi Hidenori , Wada Taizo , Imai Kohsuke , Kanegane Hirokazu , Morio Tomohiro , Oka Akira 
Published: November 2021

AbstractPneumocystis jirovecii pneumonia associated with primary immunodeficiency should be considered in infants with slowly progressing cyanosis, even without fever or respiratory symptoms. Genetic counseling is crucial for incontinentia pigmenti families in advance of pregnancy because lethal infections can occur before the diagnosis of X‐linked anhidrotic ectodermal dysplasia with immunodeficiency.
Fine‐needle aspiration cytology‐based accurate and rapid diagnosis of breast tuberculosis mimicking an abscess
Authors: Vityala Yethindra , Zhumabekova Altynai , Dzhumakova Cholpon , Tagaev Tugolbai , Namazbekova Asel , Djanaliev Bolotbek 
Published: November 2021

AbstractA case of breast tuberculosis was initially misdiagnosed as a breast abscess and diagnosed definitively by minimally invasive fine‐needle aspiration cytology. This definitive diagnosis enabled us to prevent widespread infection by early initiation of the standard anti‐tuberculosis regimen. The patient recovered, and no disease recurrence was noted during follow‐ups.
Prediction of Biomass Pyrolysis Mechanisms and Kinetics: Application of the Kalman Filter
Authors: Güleç Fatih , Şimşek Emir Hüseyin , Tanıker Sarı Hilal 
Published: November 2021

AbstractIn order to predict the pyrolysis mechanisms of four different biomasses (Asbos (Psilocaulon utile), Kraalbos (Galenia africane), Scholtzbos (Pteronia pallens), and palm shell), a novel method called Kalman filter was investigated and the results were compared by regression analysis. Both analyses were applied to five different generalized biomass pyrolysis models consisting of parallel and serial irreversible‐reversible reaction steps. The models consisting of reversible reactions in addition to parallel pyrolysis steps demonstrated a better fit with the experimental results. The pyrolysis step from biomass to bio‐oil has the highest reaction rates compared with the other pyrolysis steps defined in the models. The Kalman filter is thus defined as a promising filtering and prediction method for the estimation of detailed pyrolysis mechanisms and model parameters, using minimum experimental data.
Who is winning? A comparison of humans versus computers for calibration model building
Authors: Rasmussen Morten Arendt , Rinnan Åsmund , Risum Anne Bech , Bro Rasmus 
Published: November 2021

AbstractIncreasing awareness of the ability to transform data into knowledge has steered more focus on data science within the educational system as well as the development of machine learning methods capable of handling complex problems with minimal or no human interaction. In principle, this raises the question on where human–computer interaction is superior in building good models in contrast to fully automated algorithms. In this study, we investigated modeling performance by using bachelor students, master students, and a fully automated procedure on three near‐infrared (NIR) calibration tasks of increasing complexity. From a total of 107 student and +5000 automated models, it is evident that simple calibration tasks can be automated to achieve similar or better performance, whereas for the more complicated tasks, the human–computer interaction is superior. Indeed, teaching data science and chemometrics should focus on tools for fundamental data understanding and emphasize the use of domain knowledge and critical thinking in the analysis of data.
Properties of Single‐Component Metal–Organic Framework Crystal‐Glass Composites
Authors: McHugh Lauren N. , Thorne Michael F. , Robertson Georgina , Divitini Giorgio , Bennett Thomas D. 
Published: November 2021

AbstractThe formation, and subsequent structural, thermal and adsorptive properties of single‐component metal–organic framework crystal‐glass composites (MOF‐CGCs) are investigated. A series of novel materials exhibiting chemically identical glassy and crystalline phases within the same material were produced, where crystalline ZIF‐62(Zn) was incorporated within an agZIF‐62(Zn) matrix. X‐ray diffraction showed that the crystalline phase was still present after heating to above the glass transition temperature of agZIF‐62(Zn), and interfacial compatibility between the crystalline and glassy phases was investigated using a mixed‐metal (ZIF‐62(Co))0.5(agZIF‐62(Zn))0.5 analogue. CO2 gas adsorption measurements showed that the CO2 uptakes of the MOF‐CGCs were between those of the crystalline and glassy phases.
Promising Antifungal and Antibacterial Agents Based on 5‐Aryl‐2,2′‐bipyridines and Their Heteroligand Salicylate Metal Complexes: Synthesis, Bioevaluation, Molecular Docking
Authors: Burgart Yanina , Shchegolkov Evgeny , Shchur Irina , Kopchuk Dmitry , Gerasimova Natalia , Borisevich Sophia , Evstigneeva Natalia , Zyryanov Grigory , Savchuk Maria , Ulitko Maria , Zilberberg Natalia , Kungurov Nikolai , Saloutin Victor , Charushin Valery , Chupakhin Oleg 
Published: November 2021

AbstractA series of new 5‐aryl‐2,2′‐bipyridines and their (polyfluoro)salicylate complexes of Cu(II), Co(II) and Mn(II) were synthesized. Their antimicrobial activity was evaluated in vitro against six strains of Trichophytons, E. floccosum, M. canis, C. ablicans and Gram‐negative bacteria N. gonorrhoeae. Among azo‐ligands, Ph‐bipy and Tol‐bipy showed promising antifungal activity (minimum inhibitory concentration (MIC)<0.8–27 μM). Their antifungal action was found can be realized via binding Fe(III) ions. Tol‐bipy suppressed growth of Gram‐positive bacteria S. aureus, S. aureus MRSA and their monospecies biofilms (MIC 6–16 μM). Using molecular docking, the anti‐staphylococcal action mechanism based on the inhibition of S. aureus DNA gyrase GyrB was proposed for the lead compounds. Among metal complexes, Cu(II) and Mn(II) complexes based on tetrafluorosalicylic acid and Tol‐bipy or Ph‐bipy had the high antifungal activity (MIC<0.24–32 μM). Mn(SalF4−2H)2(Tol‐bipy)2] suppressed the growth of seven Candida strains at MIC 12–24 μM. [Cu(Sal−2H)(Ph‐bipy)] and [Cu(SalF3−2H)(Ph‐bipy)2] showed the promising anti‐gonorrhoeae activity (MIC 4.2–5.2 μM). (Cu(SalFn−2H)(Tol‐bipy)2], [Cu(SalF4−2H)(Ph‐bipy)2] and [Cu(SalF3−2H)(Ph‐bipy)2]) were found active against the bacteria of S. aureus, S. aureus MRSA and their biofilms (MIC 2.4–41.4 μM). The most active compounds were tested for toxicity in vitro against human embryonic kidney (HEK‐293) cells and in vivo experiments with CD‐1 mice.
Safety and efficacy of nivolumab plus ipilimumab in patients with advanced renal cell carcinoma with brain metastases: CheckMate 920
Authors: Emamekhoo Hamid , Olsen Mark R. , Carthon Bradley C. , Drakaki Alexandra , Percent Ivor J. , Molina Ana M. , Cho Daniel C. , Bendell Johanna C. , Gordan Lucio N. , Rezazadeh Kalebasty Arash , George Daniel J. , Hutson Thomas E. , Arrowsmith Edward R. , Zhang Joshua , Zoco Jesus , Johansen Jennifer L. , Leung David K. , Tykodi Scott S. 
Published: November 2021

BackgroundNivolumab plus ipilimumab (NIVO + IPI) has demonstrated long‐term efficacy and safety in patients with previously untreated, advanced renal cell carcinoma (aRCC). Although most phase 3 clinical trials exclude patients with brain metastases, the ongoing, multicohort phase 3b/4 CheckMate 920 trial (ClincalTrials.gov identifier NCT02982954) evaluated the safety and efficacy of NIVO + IPI in a cohort that included patients with aRCC and brain metastases, as reported here.MethodsPatients with previously untreated aRCC and asymptomatic brain metastases received NIVO 3 mg/kg plus IPI 1 mg/kg every 3 weeks × 4 followed by NIVO 480 mg every 4 weeks. The primary end point was the incidence of grade ≥3 immune‐mediated adverse events (imAEs) within 100 days of the last dose of study drug. Key secondary end points were progression‐free survival and the objective response rate according to Response Evaluation Criteria in Solid Tumors, version 1.1 (both determined by the investigator). Exploratory end points included overall survival, among others.ResultsAfter a minimum follow‐up of 24.5 months (N = 28), no grade 5 imAEs occurred. The most common grade 3 and 4 imAEs were diarrhea/colitis (n = 2; 7%) and hypophysitis, rash, hepatitis, and diabetes mellitus (n = 1 each; 4%). The objective response rate was 32% (95% CI, 14.9%‐53.5%) with a median duration of response of 24.0 months; 4 of 8 responders remained without reported progression. Seven patients (25%) had intracranial progression. The median progression‐free survival was 9.0 months (95% CI, 2.9‐12.0 months), and the median overall survival was not reached (95% CI, 14.1 months to not estimable).ConclusionsIn patients who had previously untreated aRCC and brain metastases—a population with a high unmet medical need that often is underrepresented in clinical trials—the approved regimen of NIVO + IPI followed by NIVO showed encouraging antitumor activity and no new safety signals.