bluuebunny/crossref_metadata_2025_split huggingface dataset:
Bioelektrokatalytische Cofaktor‐Regeneration und CO2‐Fixierung in einem redoxaktiven Hydrogel durch stereoselektive C‐C‐Bindungsknüpfung
Authors: Castañeda‐Losada Leonardo , Adam David , Paczia Nicole , Buesen Darren , Steffler Fabian , Sieber Volker , Erb Tobias J. , Richter Michael , Plumeré Nicolas 
Published: June 2021

AbstractDie nachhaltige Abscheidung und Umwandlung von Kohlendioxid (CO2) ist ein Schlüssel für das Erreichen einer kreislauforientierten Kohlenstoffwirtschaft. Die Bioelektrokatalyse verspricht, dieses Ziel zu erreichen. Die funktionale Integration von CO2‐fixierenden Enzymen in Materialien zur Elektrodenfunktionalisierung für die Elektrosynthese stereochemisch komplexer Moleküle muss jedoch erst noch demonstriert werden. Hier wird die stromgetriebene regio‐ und stereoselektive Inkorporation von CO2 in Crotonyl‐CoA durch eine NADPH‐abhängige enzymatische reduktive Carboxylierung gezeigt. Die Coimmobilisierung einer Ferredoxin‐NADP+‐Reduktase und einer Crotonyl‐CoA‐Carboxylase/‐Reduktase in einem mit 2,2′‐Viologen modifizierten Hydrogel ermöglichte ein gekoppeltes NADPH‐Recycling samt stereoselektiver Bildung von (2S)‐Ethylmalonyl‐CoA, einem Zwischenprodukt zu Multi‐Kohlenstoff‐Produkten aus CO2, mit 92±6 % faradayscher Effizienz und mit einer Rate von 1,6±0,4 μmol cm−2 h−1.
On‐Surface Decarboxylation Coupling Facilitated by Lock‐to‐Unlock Variation of Molecules upon the Reaction
Authors: Wang Shaoshan , Li Zhuo , Ding Pengcheng , Mattioli Cristina , Huang Wujun , Wang Yang , Gourdon André , Sun Ye , Chen Mingshu , Kantorovich Lev , Yang Xueming , Rosei Federico , Yu Miao 
Published: June 2021

AbstractOn‐surface synthesis (OSS) involving relatively high energy barriers remains challenging due to a typical dilemma: firm molecular anchor is required to prevent molecular desorption upon the reaction, whereas sufficient lateral mobility is crucial for subsequent coupling and assembly. By locking the molecular precursors on the substrate then unlocking them during the reaction, we present a strategy to address this challenge. High‐yield synthesis based on well‐defined decarboxylation, intermediate transition, and hexamerization is demonstrated, resulting in an extended and ordered network exclusively composed of the newly synthesized macrocyclic compound. Thanks to the steric hindrance of its maleimide group, we attain a preferential selection of the coupling. This work unlocks a promising path to enrich the reaction types and improve the coupling selectivity hence the structual homogeneity of the final product for OSS.
Bioelectrocatalytic Cofactor Regeneration Coupled to CO2 Fixation in a Redox‐Active Hydrogel for Stereoselective C−C Bond Formation
Authors: Castañeda‐Losada Leonardo , Adam David , Paczia Nicole , Buesen Darren , Steffler Fabian , Sieber Volker , Erb Tobias J. , Richter Michael , Plumeré Nicolas 
Published: June 2021

AbstractThe sustainable capture and conversion of carbon dioxide (CO2) is key to achieving a circular carbon economy. Bioelectrocatalysis, which aims at using renewable energies to power the highly specific, direct transformation of CO2 into value added products, holds promise to achieve this goal. However, the functional integration of CO2‐fixing enzymes onto electrode materials for the electrosynthesis of stereochemically complex molecules remains to be demonstrated. Here, we show the electricity‐driven regio‐ and stereoselective incorporation of CO2 into crotonyl‐CoA by an NADPH‐dependent enzymatic reductive carboxylation. Co‐immobilization of a ferredoxin NADP+ reductase and crotonyl‐CoA carboxylase/reductase within a 2,2′‐viologen‐modified hydrogel enabled iterative NADPH recycling and stereoselective formation of (2S)‐ethylmalonyl‐CoA, a prospective intermediate towards multi‐carbon products from CO2, with 92±6 % faradaic efficiency and at a rate of 1.6±0.4 μmol cm−2 h−1. This approach paves the way for realizing even more complex bioelectrocatalyic cascades in the future.
Effect of the Linking Group on the Thermoelectric Properties of Poly(Schiff Base)s and Their Metallopolymers
Authors: Li Jiahua , Wang Zitong , Sun Zelin , Xu Linli , Wong Wai‐Yeung 
Published: June 2021

AbstractAs polymer‐based thermoelectric (TE) materials possess attractive features such as light weight, flexibility, low toxicity and ease of processibility, an increasing number of conducting polymers and their composites with high TE performances have been developed in recent years. Up to date, however, the research focusing on the structure‐performance relationship remains rare. In this paper, two series of poly(Schiff base)s with either C=C or C≡C linker and their metallopolymers were synthesized and doped with single‐walled carbon nanotubes to evaluate how the linking groups affected the TE properties of the resulting composites. Apart from the effect exerted by the morphology, experimental results suggested that the linkers played a key role in determining the band gaps, preferred molecular conformation and extent of conjugation of the polymers, which became key factors that influenced the TE properties of the resulting materials. Additionally, upon coordination with transition metal ions, the TE properties could be tuned readily.
Cip2A modulates osteogenic differentiation via the ERK‐Runx2 pathway in MG63 cells
Authors: Son Hyo‐Eun , Jang Won‐Gu 
Published: June 2021

AbstractCancerous inhibitor of protein phosphatase 2A (Cip2A) is an oncoprotein that promotes the development of several types of cancer. However, its molecular function in osteoblast differentiation remains unclear. In this study, we found that Cip2A was upregulated under osteogenic conditions in MG63 cells. Besides, overexpression of Cip2A significantly increased the expression of Runt‐related transcription factor 2 (Runx2) and alkaline phosphatase (ALP). Inversely, the knockdown of Cip2A in MG63 cells suppressed osteoblast differentiation. Cip2A expression during osteogenic differentiation was mediated by extracellular signal‐regulated kinase (ERK) activation. Taken together, our results suggest that Cip2A plays important role in regulating osteoblast differentiation by inducing ERK phosphorylation in MG63 cells.
Modulating tyrosine sulfation of recombinant antibodies in CHO cell culture by host selection and sodium chlorate supplementation
Authors: Liu Ren , Zhang Yixiao , Kumar Amit , Huhn Steven , Hullinger Laurie , Du Zhimei 
Published: June 2021

AbstractBackgroundTyrosine sulfation is a post‐translational modification found on many surface receptors and plays an important role in cell‐cell and cell‐matrix interactions. However, tyrosine sulfation of therapeutic antibodies has only been reported very recently. Because of potential potency and immunogenicity concerns, tyrosine sulfation needs to be controlled during the manufacturing process.Methods and resultsIn this study, we explored methods to modulate antibody tyrosine sulfation during cell line development and upstream production process. We found that tyrosine sulfation levels were significantly different in various Chinese hamster ovary (CHO) cell lines due to differential expression of genes in the sulfation pathway including tyrosylprotein sulfotransferase 2 (TPST2) and the sulfation substrate transporter SLC35B2. We also screened chemical inhibitors to reduce tyrosine sulfation in CHO culture and found that sodium chlorate could significantly inhibit tyrosine sulfation while having minimal impact on cell growth and antibody production. We further confirmed this finding in a standard fed‐batch production assay. Sodium chlorate at 16 mM markedly inhibited tyrosine sulfation by more than 50% and had no significant impact on antibody titer or quality.ConclusionThese data suggest that we can control tyrosine sulfation by selecting CHO cell lines based on the expression level of TPST2 and SLC35B2 or adding sodium chlorate in upstream production process.
Total Synthesis of Aetokthonotoxin, the Cyanobacterial Neurotoxin Causing Vacuolar Myelinopathy
Authors: Ricardo Manuel G. , Schwark Markus , Llanes Dayma , Niedermeyer Timo H. J. , Westermann Bernhard 
Published: June 2021

AbstractAetokthonotoxin has recently been identified as the cyanobacterial neurotoxin causing Vacuolar Myelinopathy, a fatal neurologic disease, spreading through a trophic cascade and affecting birds of prey such as the bald eagle in the USA. Here, we describe the total synthesis of this specialized metabolite. The complex, highly brominated 1,2’‐biindole could be synthesized via a Somei‐type Michael reaction as key step. The optimised sequence yielded the natural product in five steps with an overall yield of 29 %.
Neural Network Representations for Studying Gas‐Surface Reaction Dynamics: Beyond the Born‐Oppenheimer Static Surface Approximation†
Authors: Zhou Xueyao , Zhang Yaolong , Yin Rongrong , Hu Ce , Jiang Bin 
Published: June 2021

AbstractIn the past a few years, there has been significant progress in theoretical characterizations of gas‐surface reaction dynamics at the atomic level. One of the major breakthroughs is the machine learning representations of the potential energy surfaces and related properties for molecules on metal surfaces from first‐principles, particularly neural networks based methods. In this review, we focus on recent advances of the development and applications of high‐dimensional symmetry‐preserving neural network representations in gas‐surface systems, which have enabled efficient Born‐Oppenheimer molecular dynamics simulations with inclusion of all molecular and surface degrees of freedom, as well as some nonadiabatic molecular dynamics simulations with effective treatment of hot electrons, at the density function theory level. Despite these advances, further challenges remain. More accurate electronic structure theories and more efficient machine learning (and active learning) algorithms are needed towards a more quantitative description of more complex gas‐surface reactions involving multiple surfaces and adsorbates or multiple electronic states.
Apple allergy: Causes and factors influencing fruits allergenic properties–Review
Authors: Siekierzynska Aleksandra , Piasecka‐Kwiatkowska Dorota , Myszka Aleksander , Burzynska Marta , Sozanska Barbara , Sozanski Tomasz 
Published: June 2021

AbstractBackgroundApple tree fruits (Malus × domesticaBorkh.) are a rich source of nutrients and nutraceuticals and are recommended as a part of the healthy, staple diet. However, apples could be also the cause of allergies including severe reactions. Allergies to fruits like apples are predominantly associated with pollinosis. In North and Central Europe, sensitisation to apples is caused mainly by cross‐reactive birch pollen aeroallergen, whereas in the Mediterranean area of Europe, apple allergy is mostly associated with allergies to peach. The allergenicity of apples differ across cultivars but only a few varieties were studied. Some factors changing apples allergenicity were identified, including unmodifiable and potentially modifiable factors for example cultivation method, ripening stage and storage conditions.AimThis review presents current knowledge about the molecular basis of apple allergenicity and factors influencing its level.ConclusionsSelecting cultivars with low potential of allergenicity, removing apple peel and heat treatment could reduce the risk of severe allergy reaction incidence and presumably can be used in birch pollen immunotherapy.
Investigation of the urinary excretion of prednisolone and metabolites after nasal administration: Relevance to doping control
Authors: Deventer Koen , Polet Michael , Van Gansbeke Wim , Hooghe Fiona , Van Hoecke Helen , Van Eenoo Peter 
Published: June 2021

AbstractGlucocorticosteroid use in sport is restricted to non‐systemic (nasal/ophtamological/dermatological/intra‐articular) use. Systemic use is prohibited because of strong inflammatory suppressing effects. Prednisolone is a GC proven to be very effective in the treatment of nasal congestions and allergic rhinitis and its therapeutic use is allowed. To establish normal urinary concentration ranges for nasally administered prednisolone, an excretion study was performed with Sofrasolone® (nasal‐inhaler). Six volunteers were administered a high dose (4.5 mg prednisolone in four gifts over a 9‐h period). Samples were analysed using a validated LC–MS/MS method monitoring prednisolone (PRED) and the metabolites prednisone (PREDON), 20β‐dihydroprednisolone (20βPRED) and 20α‐dihydroprednisolone (20αPRED) in the total fraction (glucuroconjugated and free). Maximum concentrations were 266, 500, 350 and 140 ng/ml for PRED, PREDON, 20βPRED and 20αPRED, respectively. These results show that the current reporting limit of 30 ng/ml in urine can be easily exceeded after therapeutic use. Hence, to avoid false‐positive findings related to nasal application, this limit should be increased. To investigate the degree of glucuronidation of PRED and its metabolites also the free fraction was investigated. This shows that PREDON has the highest glucuroconjugation (50%). PRED, 20βPRED and 20αPRED only show less than 20% conjugation.
Accumulation of endogenous and exogenous nucleic acids in “Touch DNA” components on hands
Authors: Burrill Julia , Hotta Rachel , Daniel Barbara , Frascione Nunzianda 
Published: June 2021

AbstractSuccessful forensic DNA profiling from handled items is increasingly routine in casework. This “touch DNA” is thought to contain both cellular and acellular nucleic acid sources. However, there is little clarity on the origins or characteristics of this material. The cellular component consists of anucleate, terminally differentiated corneocytes (assumed to lack DNA), and the occasional nucleated cell. The acellular DNA source is fragmentary, presumably cell breakdown products. This study examines the relative contributions each component makes to the hand‐secretions (endogenous) and hand‐accumulations (exogenous) by recovering rinses from the inside and outside of worn gloves. Additionally, cellular and acellular DNA was measured at timepoints up to 2 h after hand washing, both with and without interim contact. Microscopic examination confirmed cell morphology and presence of nucleic acids. Following the novel application of a hair keratinocyte lysis method and plasma‐DNA fragment purification to hand rinse samples, DNA profiles were generated from both fractions. Exogenous cell‐free DNA is shown to be a significant source of touch DNA, which reaccumulates quickly, although its amplifiable nuclear alleles are limited. Endogenous DNA is mostly cellular in origin and provides more allelic information consistently over time.
Efficient electrocatalytic oxidation of NADH by highly dispersible in situ N‐doped ionic liquid‐functionalized graphene nanosheets
Authors: Bhunia Prasenjit , Dutta Kingshuk 
Published: June 2021

AbstractA suitable β‐nicotinamide adenine dinucleotide (NADH) probe shall be capable of decreasing the oxidation overpotential and improving the electron transfer rate by direct electrocatalytic oxidation of NADH. Taking advantage of the combination of N‐doped graphene and ionic liquid (IL) as an electrocatalyst, a facile and useful approach comprising covalent grafting of imidazolium IL on reduced graphene oxide (ie, rGO‐IL) and in situ insertion of N‐atoms within the graphene framework, using the grafted IL as the N‐source (ie, N‐rGO‐IL), is demonstrated in this study. Additionally, their electrocatalytic efficiency toward NADH oxidation is systematically analyzed. Remarkably low peak potentials at 0.141 and 0.125 V and high current signals are observed for rGO‐IL‐ and N‐rGO‐IL‐modified electrodes, respectively, in presence of 200 μM NADH. Furthermore, the current‐time response is recorded at significantly low working potential of 0.0 V and ‐0.05 V, using rGO‐IL‐ and N‐rGO‐IL‐modified glassy carbon electrode, respectively, on injecting 5 μM NADH in successive steps. The response shows a good linear relationship from 5 to 30 μM of successive addition of NADH, with demonstration of correlation coefficients of 0.98 and 0.99, as well as good sensitivity of 50.0 and 39.0 nA μM−1 cm−2 (S/N = 3), respectively, for N‐rGO‐IL and rGO‐IL.
Investigation of microbial community structure and its potential for biomethane production by co‐digestion of cassava pulp and distillery stillage
Authors: Witchayapong Chonradee , Piromyou Pongdet , Boontawan Pailin , Tittabutr Panlada , Boontawan Apichat 
Published: June 2021

AbstractCassava pulp (CP), a by‐product of the tapioca starch industry, has been recognized as a high potential substrate for bio‐gas production due to its high carbon content. In this work, co‐digestion between CP and distiller stillage (DS) was investigated with the main objective to improve the system stability as well as to enhance the biogas production. The effect of five different CP:DS ratios including 1:0, 1:0.5, 1:1, 0.5:1, and 0:1 based on volatile solids (VS) was carried out. The result showed that the co‐digestion of CP and DS is a promising approach for increasing the cumulative methane yield by 65.57%–222.19% compared to the digestion of CP alone. The highest methane yield of 685.10 ml/g VS was obtained at the CP:DS of 1:1. The bacterial and archaeal communities were analyzed by denaturing gradient gel electrophoresis. The bacterial community of CP:DS ratio was dominated by Bacteroidetes, Firmicutes, and Chloroflexi phylum whilst Methanosarcina (Methanosarcina barkeri) dominated the methanogenic archaeal community. This work demonstrated the adaptation of co‐digestion resulting in a higher methane production with a higher stability of the system. The result could pave a way for a highly efficient co‐digestion system in a larger scale biogas production.
The hydrology of glacier‐bed overdeepenings: Sediment transport mechanics, drainage system morphology, and geomorphological implications
Authors: Swift Darrel A. , Tallentire Guy D. , Farinotti Daniel , Cook Simon J. , Higson William J. , Bryant Robert G. 
Published: June 2021

AbstractEvacuation of basal sediment by subglacial drainage is an important mediator of rates of glacial erosion and glacier flow. Glacial erosion patterns can produce closed basins (i.e., overdeepenings) in glacier beds, thereby introducing adverse bed gradients that are hypothesized to reduce drainage system efficiency and thus favour basal sediment accumulation. To establish how the presence of a terminal overdeepening might mediate seasonal drainage system evolution and glacial sediment export, we measured suspended sediment transport from Findelengletscher, Switzerland during late August and early September 2016. Analyses of these data demonstrate poor hydraulic efficiency of drainage pathways in the terminus region but high sediment availability. Specifically, the rate of increase of sediment concentration with discharge was found to be significantly lower than that anticipated if channelized flow paths were present. Sediment availability to these flow paths was also higher than would be anticipated for discrete bedrock‐floored subglacial channels. Our findings indicate that subglacial drainage in the terminal region of Findelengletscher is dominated by distributed flow where entrainment capacity increases only marginally with discharge, but flow has extensive access to an abundant sediment store. This high availability maintains sediment connectivity between the glacial and proglacial realm and means daily sediment yield is unusually high relative to yields exhibited by similar Alpine glaciers. We present a conceptual model illustrating the potential influence of ice‐bed morphology on subglacial drainage evolution and sediment evacuation mechanics, patterns and yields, and recommend that bed morphology should be an explicit consideration when monitoring and evaluating glaciated basin sediment export rates.
The effects of tillage induced surface roughness, slope and discharge rate on soil detachment by concentrated flow: An experimental study
Authors: Sun Jiaqian , Zhang Naichang , Shi Mingxin , Zhai Yanbin , Wu Faqi 
Published: June 2021

AbstractSoil erosion in sloping cropland is a key water and soil conservation issue in the Loess Plateau region, China. How surface roughness influences soil detachment remains unclear due to the inconsistent results obtained from existing studies. The objectives of the present study were to evaluate the effects of tillage practices on soil detachment rate in sloping cropland and establish an accurate empirical model for the prediction of soil detachment rates. A series of movable bed experiments were conducted on sloping surfaces under three different tillage practices (manual dibbling, manual hoeing, and contour drilling), with a smooth surface (non‐tillage) as a control. The research indicated that soil detachment rate significantly increased with roughness (p < 0.05) since the average soil detachment rate was the highest under the contour drilling treatment (6.762 g m−2 s−1), followed by manual hoeing (4.180 g m−2 s−1), and manual dibbling (3.334 g m−2 s−1); the lowest detachment rate was observed under the non‐tillage treatment (3.214 g m−2 s−1). Slope gradient and unit discharge rate were positively correlated with soil detachment rate and proved to be more influential than soil surface roughness. Four composite hydraulic parameters were introduced to estimate soil detachment rate on tilled surfaces. Regression analyses revealed that stream power was the most effective predictor of soil detachment rate compared with unit length shear force, shear stress, and unit stream power. By integrating surface roughness as a variable, the detachment rate could be accurately described as a nonlinear function of stream power and surface roughness. The results of the present study indicate that tillage practice could influence soil loss on sloping cropland, considering the higher soil detachment rates under all tillage practices tested compared with non‐tillage. The results are attributed mainly to concentrated flow caused by the high water storage levels on tilled surfaces, which could damage surface microtopography and, subsequently, the development of headcuts.
Brd4 Inactivation Increases Adenoviral Delivery of BMP2 for Paracrine Stimulation of Osteogenic Differentiation as a Gene Therapeutic Concept to Enhance Bone Healing
Authors: Paradise Christopher R , De La Vega Rodolfo E , Galvan M Lizeth , Carrasco Margarita E , Thaler Roman , van Wijnen Andre J , Dudakovic Amel 
Published: June 2021

ABSTRACTBromodomain (BRD) proteins are histone code interpreters that recognize acetylated lysines and link the dynamic state of chromatin with the transcriptional machinery. Here, we demonstrate that ablation of the Brd4 gene in primary mouse bone marrow–derived mesenchymal stem cells via a conditional Brd4fl/fl allele suppresses osteogenic lineage commitment. Remarkably, loss of Brd4 function also enhances expression of genes in engineered adenoviral vectors, including Cre recombinase and green fluorescent protein (GFP). Similarly, vector‐based expression of BMP2 mRNA and protein levels are enhanced upon Brd4 depletion in cells transduced with an adenoviral vector that expresses BMP2 (Ad‐BMP2). Importantly, Brd4 depletion in MC3T3‐E1 and human adipose‐derived mesenchymal stem cells (AMSCs) transduced with Ad‐BMP2 enhances osteogenic differentiation of naïve MC3T3‐E1 cells via paracrine mechanisms based on transwell and conditioned medium studies. Our studies indicate that Brd4 depletion enhances adenoviral transgene expression in mammalian cells, which can be leveraged as a therapeutic strategy to improve viral vector‐based gene therapies. © 2021 The Authors. JBMR Plus published by Wiley Periodicals LLC on behalf of American Society for Bone and Mineral Research.