bluuebunny/crossref_metadata_2025_split huggingface dataset:
Identifizierung von reaktiven Zentren und Oberflächenfallen in Chalkopyrit‐Photokathoden
Authors: Liu Yongpeng , Bouri Maria , Yao Liang , Xia Meng , Mensi Mounir , Grätzel Michael , Sivula Kevin , Aschauer Ulrich , Guijarro Néstor 
Published: August 2021

AbstractDas Sammeln von Informationen über die atomare Natur von reaktiven Zentren und Fallenzuständen ist der Schlüssel zur Feinabstimmung der Katalyse und zur Unterdrückung schädlicher Oberflächenpotentialverluste in photoelektrochemischen Technologien. Hier wurden spektroelektrochemische und rechnerische Methoden kombiniert, um eine Modellphotokathode aus der vielversprechenden Chalkopyrit‐Familie zu untersuchen: CuIn0.3Ga0.7S2. Es wurde festgestellt, dass Potentialverluste mit Fallen verbunden sind, die durch Oberflächen‐Ga‐ und In‐Leerstellen induziert werden, wohingegen Operando‐Raman‐Spektroskopie zeigte, dass Katalyse an Ga‐, In‐ und S‐Stellen stattfand. Diese Studie ermöglicht es, eine Brücke zwischen der Leistung des Chalkopyrits und seiner Oberflächenchemie zu schlagen, wobei die Vermeidung der Bildung von Ga‐ und In‐Leerstellen entscheidend ist, um eine hohe Aktivität zu erzielen.
Structure–Activity Relationships in Nonenzymatic Template‐Directed RNA Synthesis
Authors: Giurgiu Constantin , Fang Ziyuan , Aitken Harry R. M. , Kim Seohyun Chris , Pazienza Lydia , Mittal Shriyaa , Szostak Jack W. 
Published: August 2021

AbstractThe template‐directed synthesis of RNA played an important role in the transition from prebiotic chemistry to the beginnings of RNA based life, but the mechanism of RNA copying chemistry is incompletely understood. We measured the kinetics of template copying with a set of primers with modified 3′‐nucleotides and determined the crystal structures of these modified nucleotides in the context of a primer/template/substrate‐analog complex. pH‐rate profiles and solvent isotope effects show that deprotonation of the primer 3′‐hydroxyl occurs prior to the rate limiting step, the attack of the alkoxide on the activated phosphate of the incoming nucleotide. The analogs with a 3E ribose conformation show the fastest formation of 3′–5′ phosphodiester bonds. Among those derivatives, the reaction rate is strongly correlated with the electronegativity of the 2′‐substituent. We interpret our results in terms of differences in steric bulk and charge distribution in the ground vs. transition states.
Identifying Reactive Sites and Surface Traps in Chalcopyrite Photocathodes
Authors: Liu Yongpeng , Bouri Maria , Yao Liang , Xia Meng , Mensi Mounir , Grätzel Michael , Sivula Kevin , Aschauer Ulrich , Guijarro Néstor 
Published: August 2021

AbstractGathering information on the atomic nature of reactive sites and trap states is key to fine tuning catalysis and suppressing deleterious surface voltage losses in photoelectrochemical technologies. Here, spectroelectrochemical and computational methods were combined to investigate a model photocathode from the promising chalcopyrite family: CuIn0.3Ga0.7S2. We found that voltage losses are linked to traps induced by surface Ga and In vacancies, whereas operando Raman spectroscopy revealed that catalysis occurred at Ga, In, and S sites. This study allows establishing a bridge between the chalcopyrite's performance and its surface's chemistry, where avoiding formation of Ga and In vacancies is crucial for achieving high activity.
Lewis‐Basic EDTA as a Highly Active Molecular Electrocatalyst for CO2 Reduction to CH4
Authors: Huang Minxue , Gong Shipeng , Wang Changlai , Yang Yang , Jiang Peng , Wang Pengcheng , Hu Lin , Chen Qianwang 
Published: August 2021

AbstractThe most active catalysts so far successful in hydrogenation reduction of CO2 are mainly heterogeneous Cu‐based catalysts. The complex coordination environments and multiple active sites in heterogeneous catalysts result in low selectivity of target product, while molecular catalysts with well‐defined active sites and tailorable structures allow mechanism‐based performance optimization. Herein, we firstly report a single ethylenediaminetetraacetic acid (EDTA) molecular‐level immobilized on the surface of carbon nanotube as a catalyst for transferring CO2 to CH4 with an excellent performance. This catalyst exhibits a high Faradaic efficiency of 61.6 % toward CH4, a partial current density of −16.5 mA cm−2 at a potential of −1.3 V versus reversible hydrogen electrode. Density functional theory calculations reveal that the Lewis basic COO− groups in EDTA molecule are the active sites for CO2 reduction reaction (CO2RR). The energy barrier for the generation of CO from *CO intermediate is as high as 0.52 eV, while the further protonation of *CO to *CHO follows an energetic downhill path (−1.57 eV), resulting in the high selectivity of CH4. This work makes it possible to control the product selectivity for CO2RR according to the relationship between the energy barrier of *CO intermediate and molecular structures in the future.
Surface modified cellulose nanocrystalline hybrids actualizing efficient and precise delivery of doxorubicin into nucleus with: In vitro and in vivo evaluation
Authors: Li Na , Wang Yiwei , Guo Yuqi , Ji Zhenyu , Zhang Zhuangli , Yu Jiahui , Zhang Lianzhong 
Published: August 2021

AbstractRod‐like‐shape nanomedicines with the ability of lysosomal pH‐controlled drug release can precisely deliver doxorubicin (DOX) into its target, nucleus, and can fully exert its anticancer effect. Taking advantage of their large specific surface area, cellulose nanocrystals (CNCs) were used to fabricate pH‐responsive DOX‐loaded rod‐like shaped hybrids nanomedicines: cis‐aconityl‐doxorubicin (CAD)@polyethylenimine (PEI)@CNCs (CAD@PEI@CNCs) via layer‐by‐layer (LbL) assembly. In vitro, CAD@PEI@CNCs hybrids displayed rod‐like shape, high drug loading content, lysosomal pH‐controlled drug release, efficient and precise doxorubicin (DOX) delivering into the nucleus. Moreover, the cellular uptake of CAD@PEI@CNCs hybrids was 20.9 folds higher than that of DOX·HCl against A549 cells. The cytotoxicity of CAD@PEI@CNCs hybrids was much higher than that of DOX·HCl and the pH‐irresponsive hybrids against A549 cell. In vivo, CAD@PEI@CNCs hybrids exhibited good antitumor effect: (42.0 ± 6)% inhibition rate and few harms to the nude mice. Altogether, rod‐like shaped pH‐responsive CAD@PEI@CNCs hybrids nanomedicines could efficiently overcome the vascular and tumor barriers, and precisely deliver DOX to nucleus to convert DOX antitumor effects. These results indicate that CAD@PEI@CNCs have great potential to act as advanced nanomedicines with enhanced delivery efficiency and therapeutic efficiency.
Rostral neurovasculature indicates sensory trade‐offs in Mesozoic pelagic crocodylomorphs
Authors: Bowman Charlotte I. W. , Young Mark T. , Schwab Julia A. , Walsh Stig , Witmer Lawrence M. , Herrera Yanina , Choiniere Jonah , Dollman Kathleen N. , Brusatte Stephen L. 
Published: August 2021

ABSTRACTMetriorhynchoid thalattosuchians were a marine clade of Mesozoic crocodylomorphs that evolved from semi‐aquatic, “gharial”‐like species into the obligately pelagic subclade Metriorhynchidae. To explore whether the sensory and physiological demands of underwater life necessitates a shift in rostral anatomy, both in neurology and vasculature, we investigate the trigeminal innervation and potential somatosensory abilities of metriorhynchoids by digitally segmenting the rostral neurovascular canals in CT scans of 10 extant and extinct crocodyliforms. The dataset includes the terrestrial, basal crocodyliform Protosuchus haughtoni, two semi‐aquatic basal metriorhynchoids, four pelagic metriorhynchids and three extant, semi‐aquatic crocodylians. In the crocodylian and basal metriorhynchoid taxa, we find three main neurovascular channels running parallel to one another posteroanteriorly down the length of the snout, whereas in metriorhynchids there are two, and in P. haughtoni only one. Crocodylians appear to be unique in their extensive trigeminal innervation, which is used to supply the integumentary sensory organs (ISOs) involved with their facial somatosensory abilities. Crocodylians have a far higher number of foramina on the maxillary bones than either metriorhynchoids or P. haughtoni, suggesting that the fossil taxa lacked the somatosensory abilities seen in extant species. We posit that the lack of ISO osteological correlates in metriorhynchoids is due to their basal position in Crocodyliformes, rather than a pelagic adaptation. This is reinforced by the hypothesis that extant crocodyliforms, and possibly some neosuchian clades, underwent a long “nocturnal bottleneck”—hinting that their complex network of ISOs evolved in Neosuchia, as a sensory trade‐off to compensate for poorer eyesight.
Identification and engineering on the nonconserved residues of metallo‐β‐lactamase‐type thioesterase to improve the enzymatic activity
Authors: Jiang Dayong , Li Ya , Wu Wanqi , Zhang Hong , Xu Ruoxuan , Xu Hui , Zhan Ruoting , Sun Lei 
Published: August 2021

AbstractThe standalone metallo‐β‐lactamase‐type thioesterase (MβL‐TE), belongs to the group V nonreducing polyketide synthase agene cluster, catalyzes the rate‐limiting step of product releasing. Our work first investigated on the orthologous MβL‐TEs from different origins to determine which nonconserved amino acid residues are important to the hydrolysis efficiency. A series of chimeric MβL‐TEs were constructed by fragment swapping and site‐directed mutagenesis, in vivo enzymatic assay showed that two nonconserved residues A19 and E75 (numbering in HyTE) were critical to the catalytic performance. Protein structure modeling suggested that these two residues are located in different areas of HyTE. A19 is on the entrance to the active sites, whereas E75 resides in the linker between the two β strands which hold the metal‐binding sites. Combining with computational simulations and comparative enzymatic assay, different screening criteria were set up for selecting the variants on the two noncatalytic and nonconserved key residues to improve the catalytic activity. The rational design on A19 and E75 gave five candidates in total, two (A19F and E75Q) of which were thus found significantly improved the enzymatic performance of HyTE. The double‐point mutant was constructed to further improve the activity, which was increased by 28.4‐fold on product accumulation comparing to the wild‐type HyTE. This study provides a novel approach for engineering on nonconserved residues to optimize enzymatic performance.
Establishment and characterization of lung co‐culture spheroids for paclitaxel loaded Eudragit® RL 100 nanoparticle evaluation
Authors: Pant Tejal , Gaikwad Ganesh , Jain Dhiraj , Dandekar Prajakta , Jain Ratnesh 
Published: August 2021

Abstract3D cell cultures are regarded as a better and more relevant approach for screening drugs and therapeutics, particularly due to their likeness with the in vivo conditions. Spheroids offer an intermediate platform between in vitro and in vivo models, for conducting tumor‐based investigations. In this study, a simple setup was developed for consistent generation of lung co‐culture spheroids, which were developed using the cancer cell lines A549, NCI H460, and fibroblast cells WI‐38. The potential of these spheroids for evaluating the toxicity of Eudragit® RL 100 nanoparticles (ENP) was explored. Monodisperse ENP, having the size range of 140–200 nm was prepared using the nanoprecipitation method. These were loaded with the poorly water‐soluble anticancer drug paclitaxel. The evaluation of toxicity and uptake of drug‐loaded ENP revealed that 2D monolayers were more sensitive to treatment than 3D spheroids. Within spheroids, co‐cultures were more resistant to the treatment than monocultures. Overall, our findings demonstrated that the lung co‐culture spheroids were a suitable model for accelerating the efficacy and toxicity‐related investigations of novel drug delivery systems.
Involvement of extracellular vesicles in aging process and their beneficial effects in alleviating aging‐associated symptoms
Authors: Das Madhurima , Kale Vaijayanti 
Published: August 2021

AbstractAging is a gradual and unavoidable physiological phenomenon that manifests in the natural maturation process and continues to progress from infanthood to adulthood. Many elderly people suffer from aging‐associated hematological and nonhematological disorders. Recent advances in regenerative medicine have shown new revolutionary paths of treating such diseases using stem cells; however, aging also affects the quality and competence of stem and progenitor cells themselves and ultimately directs their death or apoptosis and senescence, leading to a decline in their regenerative potential. Recent research works show that extracellular vesicles (EVs) isolated from different types of stem cells may provide a safe treatment for aging‐associated disorders. The cargo of EVs comprises packets of information in the form of various macromolecules that can modify the fate of the target cells. To harness the true potential of EVs in regenerative medicine, it is necessary to understand how this cargo contributes to the rejuvenation of aged stem and progenitor populations and to identify the aging‐associated changes in the macromolecular profile of the EVs themselves. In this review, we endeavor to summarize the current knowledge of the involvement of EVs in the aging process and delineate the role of EVs in the reversal of aging‐associated phenotypes. We have also analyzed the involvement of the molecular cargo of EVs in the generation of aging‐associated disorders. This knowledge could not only help us in understanding the mechanism of the aging process but could also facilitate the development of new cell‐free biologics to treat aging‐related disorders in the future.
Alveograph characterization of industrial samples of Danish pastry dough
Authors: Jødal Anne‐Sophie Schou , Larsen Kim Lambertsen 
Published: August 2021

AbstractBackground and objectivesOnly a limited number of methods are available for the assessment of dough properties for doughs containing all the ingredients of a bakery product. The aim of this work was to analyze industrial samples of Danish pastry doughs with alveograph analysis. An adjusted protocol was developed, in which analysis conditions and data analysis were modified compared to the standard alveograph method for assessment of flour quality. A sampling and handling protocol for dough from the industrial production was also developed.FindingsThe Danish pastry doughs analyzed with the adjusted protocol were more dependent on mixing time and extrusion order than the flour‐water dough analyzed with the standard protocol. Two different types of industrial Danish pastry dough with similar recipes could be differentiated with the adjusted protocol.ConclusionsIndustrial samples of Danish pastry dough and possibly also other full formula doughs can be analyzed with alveography using the adjusted protocol, if adjustments with respect to the mixing time are made.Significance and noveltyThe findings in this work enables alveograph analysis of full formula dough, which might be used to evaluate the effects of different variables in an industrial setting.
Seizure and delirium secondary to carboplatin and pantoprazole therapy‐induced hypomagnesemia in a cancer patient
Authors: Kundal Sanchit V. , Lai Shum Janet , Emeasoba Emmanuel U. , Marcelin Michael , Shetty Vijay S. , Huang Tiffany 
Published: August 2021

AbstractActive surveillance and treatment of hypomagnesemia along with strict avoidance of concurrent offending agents is essential to prevent its grave clinical consequences among patients on carboplatin therapy.
Association of omphalocele with a patent urachus presenting as a large umbilical cystic mass in a newborn
Authors: Farhadi Roya , Mousavi Seyed Abdollah 
Published: August 2021

AbstractSimultaneous presentation of omphalocele, patent urachus, and umbilical cyst is very rare. There is wide range of differential diagnosis for umbilical cyst. Accurate assessment of umbilical cysts is important to evaluate other abnormalities.
Cost‐minimization analysis of a wearable cardioverter defibrillator in adult patients undergoing ICD explant procedures: Clinical and economic implications
Authors: Boriani Giuseppe , Mantovani Lorenzo Giovanni , Cortesi Paolo Angelo , De Ponti Roberto , D'Onofrio Antonio , Arena Giuseppe , Curnis Antonio , Forleo Giovanni , Guerra Federico , Porcu Maurizio , Sgarito Giuseppe , Botto Giovanni Luca 
Published: August 2021

AbstractAimsPatients with permanently increased risk of sudden cardiac death (SCD) can be protected by implantable cardioverter defibrillators (ICD). If an ICD must be removed due to infection, for example, immediate reimplantation might not be possible or indicated. The wearable cardioverter defibrillator (WCD) is an established, safe and effective solution to protect patients from SCD during this high‐risk bridging period. Very few economic evaluations on WCD use are currently available.MethodsWe conducted a systematic review to evaluate the available evidence of WCD in patients undergoing ICD explant/lead extraction. Additionally, a decision model was developed to compare use and costs of the WCD with standard therapy (in‐hospital stay). For this purpose, a cost‐minimization analysis was conducted, and complemented by a one‐way sensitivity analysis.ResultsIn the base case scenario, the WCD was less expensive compared to standard therapy. The cost‐minimization analysis showed a cost reduction of €1782 per patient using the WCD. If costs of standard care were changed, cost savings associated with the WCD varied from €3500 to €0, assuming costs for standard care of €6800 to €3600.ConclusionAfter ICD explantation, patients can be safely and effectively protected from SCD after hospital discharge through WCD utilization. Furthermore, the use of a WCD for this patient group is cost saving when compared to standard therapy.
A family of AC amplifiers for ultra‐low frequency operation
Authors: Martincorena‐Arraiza Maite , Carlosena Alfonso , De La Cruz‐Blas Carlos A. , Beloso‐Legarra Javier , Lopez‐Martin Antonio 
Published: August 2021

AbstractA family of capacitively coupled alternating current (AC) amplifiers featuring ultra‐low (below 1 Hz) corner frequency is presented. This is achieved by using high‐gain devices which actively boost feedback resistance and thus reduce corner frequency. This procedure is often termed, though with a different purpose, as “bootstrapping.” The proposed architectures are very general and admit several possible practical implementations. To demonstrate their usefulness, the circuits are implemented with two operational amplifiers (OA), but other active devices such as operational transconductance amplifiers (OTAs) can be alternatively used. All circuits have been theoretically analyzed, extensively simulated and measured, exhibiting high‐pass cutoff frequencies as low as 30 mHz.
Temporal patterns of the catadromous thinlip grey mullet migration in freshwater
Authors: Pereira Esmeralda , Quintella Bernardo R. , Lança Maria João , Alexandre Carlos M. , Mateus Catarina S. , Pedro Sílvia , Belo Ana F. , Rato Ana S. , Quadrado Maria F. , Telhado Ana , Batista Carlos , Almeida Pedro R. 
Published: August 2021

AbstractThe thinlip grey mullet (Chelon ramada Risso, 1827) is a catadromous fish that performs massive migrations to freshwater habitats for feeding purposes that can assume a structuring role on riverine ecology due to the biomass involved in these movements. Seasonal movements of thinlip grey mullet through a vertical slot fish pass located in River Mondego (Portugal) were continuously monitored between 2013 and 2017. The extent of trophic migration, population size structure, biomass and the environmental triggers of bi‐directional species' migratory activity were analysed. Between March and November of 2013/2014, ~2 million and 1 million movements were respectively recorded. From a subsampling approach, the upstream movements between 2015 and 2017 were estimated. Annually, around five hundred thousand upstream movements can occur to provide species access to the upstream freshwater reaches. Movements are exclusively diurnal, and the population composed by young adults in their first year of maturity, yet juveniles and larger fish were present (TL range: 90–540 mm). Upstream movements increased with temperatures above 15°C, reaching a peak at around 20°C coupled with a photoperiod of 15 h. Downstream movements attained the higher rates when temperature dropped from 22°C to 20°C and photoperiod to 13 h. However, under wetter hydrological conditions (as in 2014), discharge flows have a higher influence.These finding provide unique information regarding species migration to freshwater habitats in the Atlantic coast, namely the extended periods spent in such environments, overlapping with the spawning migration period. Additionally, highlights the importance of species' trophic migration both for its life cycle and riverine food‐web.
Impact of epicardial adipose tissue on cardiovascular haemodynamics, metabolic profile, and prognosis in heart failure
Authors: Pugliese Nicola R. , Paneni Francesco , Mazzola Matteo , De Biase Nicolò , Del Punta Lavinia , Gargani Luna , Mengozzi Alessandro , Virdis Agostino , Nesti Lorenzo , Taddei Stefano , Flammer Andreas , Borlaug Barry A. , Ruschitzka Frank , Masi Stefano 
Published: August 2021

AbstractAimsWe evaluated the impact of echocardiographic epicardial adipose tissue (EAT) on cardiovascular haemodynamics, metabolic profile and prognosis in heart failure (HF) using combined cardiopulmonary‐echocardiography exercise stress.Methods and resultsWe analysed EAT thickness of HF patients with reduced (HFrEF, n = 205) and preserved (HFpEF, n = 188) ejection fraction, including 44 controls. HFpEF patients displayed the highest EAT, while HFrEF patients had lower values than controls. EAT showed an inverse correlation with natriuretic peptides, troponin T and C‐reactive protein in HFrEF, while having a direct association with troponin T and C‐reactive protein in HFpEF. EAT was independently associated with peak oxygen consumption (VO2) and peripheral extraction (AVO2diff), regardless of body mass index. EAT was inversely correlated with peak VO2 and AVO2diff in HFpEF, while a direct association was observed in HFrEF, where lower EAT values were associated with worse left ventricular systolic dysfunction. In HFpEF, increased EAT was related to right ventriculo–arterial (tricuspid annular plane systolic excursion/systolic pulmonary artery pressure) uncoupling. After 21 months of follow‐up, 146 HF hospitalizations and 34 cardiovascular deaths were recorded in the HF population. Cox multivariable analysis supported an independent differential role of EAT in HF cohorts (interaction P = 0.01): higher risk of adverse events for increasing EAT in HFpEF [hazard ratio (HR) 1.12, 95% confidence interval (CI) 1.04–1.37] and for decreasing EAT in HFrEF (HR 0.75, 95% CI 0.54–0.91).ConclusionIn HFpEF, EAT accumulation is associated with worse haemodynamic and metabolic profile, also affecting survival. Conversely, lower EAT values imply higher left ventricular dysfunction, global functional impairment and adverse prognosis in HFrEF.