bluuebunny/crossref_metadata_2025 huggingface dataset:
Under-Replicated DNA: The Byproduct of Large Genomes?
Authors: Bertolin Agustina P. , Hoffmann Jean-Sébastien , Gottifredi Vanesa
Published: September 2020

In this review, we provide an overview of how proliferating eukaryotic cells overcome one of the main threats to genome stability: incomplete genomic DNA replication during S phase. We discuss why it is currently accepted that double fork stalling (DFS) events are unavoidable events in higher eukaryotes with large genomes and which responses have evolved to cope with its main consequence: the presence of under-replicated DNA (UR-DNA) outside S phase. Particular emphasis is placed on the processes that constrain the detrimental effects of UR-DNA. We discuss how mitotic DNA synthesis (MiDAS), mitotic end joining events and 53BP1 nuclear bodies (53BP1-NBs) deal with such specific S phase DNA replication remnants during the subsequent phases of the cell cycle.
CeZrOx Promoted Water-Gas Shift Reaction under Steam–Methane Reforming Conditions on Ni-HTASO5
Authors: Zhao Qing , Wang Ye , Li Guiying , Hu Changwei
Published: September 2020

Ni-based catalysts (Ni-γ-Al2O3, Ni-HTASO5 and Ni-CeZrOx) were prepared by impregnation method and characterized by BET, AAS, XRD, H2-TPR, CO-TPD, NH3-TPD, XPS, TG-DSC-MS and Raman spectroscopies. Using CeZrOx-modified Al2O3 (HTASO5) as support, the catalyst exhibited good catalytic performance (TOFCH4 = 8.0 × 10−2 s−1, TOFH2 = 10.5 × 10−2 s−1) and carbon resistance for steam-methane reforming (SMR) reaction. Moreover, CeZrOx was able to enhance water-gas shift (WGS) reaction for more hydrogen production. It was found that the addition of CeZrOx could increase the content of active nickel precursor on the surface of the catalyst, which was beneficial to the decomposition of water and methane on Ni-HTASO5. Furthermore, Ni-HTASO5 could decrease the strong acid sites of the catalyst, which would not only contribute to the formation of low graphited carbon, but also decrease the amount of carbon deposition.
Experimental Study on CO2 Methanation over Ni/Al2O3, Ru/Al2O3, and Ru-Ni/Al2O3 Catalysts
Authors: Chein Rei-Yu , Wang Chih-Chang
Published: September 2020

CO2 methanation is recognized as one of the best technologies for storing intermittent renewable energy in the form of CH4. In this study, CO2 methanation performance is investigated using Ni/Al2O3, Ru/Al2O3, and Ru-Ni/Al2O3 as the catalysts under conditions of atmospheric pressure, a molar ratio of H2/CO2 = 5, and a space velocity of 5835 h−1. For reaction temperatures ranging from 250 to 550 °C, it was found that the optimum reaction temperature is 400 °C for all catalysts studied. At this temperature, the maximum values of CO2 conversion, H2 efficiency, and CH4 yield and lowest CO yield can be obtained. With temperatures higher than 400 °C, reverse CO2 methanation results in CO2 conversion and CH4 yield decreases with increased temperature, while CO is formed due to reverse water-gas shift reaction. The experimental results showed that CO2 methanation performance at low temperatures can be enhanced greatly using the bimetallic Ru-Ni catalyst compared with the monometallic Ru or Ni catalyst. Under ascending-descending temperature changes between 250 °C and 550 °C, good thermal stability is obtained from Ru-Ni/Al2O3 catalyst. About a 3% decrease in CO2 conversion is found after three continuous cycles (74 h) test.
Regioselective Hydroxylation of Rhododendrol by CYP102A1 and Tyrosinase
Authors: Park Chan Mi , Park Hyun Seo , Cha Gun Su , Park Ki Deok , Yun Chul-Ho
Published: September 2020

Rhododendrol (RD) is a naturally occurring phenolic compound found in many plants. Tyrosinase (Ty) converts RD to RD-catechol and subsequently RD-quinone via two-step oxidation reactions, after which RD-melanin forms spontaneously from RD-quinone. RD is cytotoxic in melanocytes and lung cancer cells, but not in keratinocytes and fibroblasts. However, the function of RD metabolites has not been possible to investigate due to the lack of available high purity metabolites. In this study, an enzymatic strategy for RD-catechol production was devised using engineered cytochrome P450 102A1 (CYP102A1) and Ty, and the product was analyzed using high-performance liquid chromatography (HPLC), LC-MS, and NMR spectroscopy. Engineered CYP102A1 regioselectively produced RD-catechol via hydroxylation at the ortho position of RD. Although RD-quinone was subsequently formed by two step oxidation in Ty catalyzed reactions, L-ascorbic acid (LAA) inhibited RD-quinone formation and contributed to regioselective production of RD-catechol. When LAA was present, the productivity of RD-catechol by Ty was 5.3-fold higher than that by engineered CYP102A1. These results indicate that engineered CYP102A1 and Ty can be used as effective biocatalysts to produce hydroxylated products, and Ty is a more cost-effective biocatalyst for industrial applications than engineered CYP102A1.
Integrative Multi-Omics Analysis in Calcific Aortic Valve Disease Reveals a Link to the Formation of Amyloid-Like Deposits
Authors: Heuschkel Marina A. , Skenteris Nikolaos T. , Hutcheson Joshua D. , van der Valk Dewy D. , Bremer Juliane , Goody Philip , Hjortnaes Jesper , Jansen Felix , Bouten Carlijn V.C. , van den Bogaerdt Antoon , Matic Ljubica , Marx Nikolaus , Goettsch Claudia
Published: September 2020

Calcific aortic valve disease (CAVD) is the most prevalent valvular heart disease in the developed world, yet no pharmacological therapy exists. Here, we hypothesize that the integration of multiple omic data represents an approach towards unveiling novel molecular networks in CAVD. Databases were searched for CAVD omic studies. Differentially expressed molecules from calcified and control samples were retrieved, identifying 32 micro RNAs (miRNA), 596 mRNAs and 80 proteins. Over-representation pathway analysis revealed platelet degranulation and complement/coagulation cascade as dysregulated pathways. Multi-omics integration of overlapping proteome/transcriptome molecules, with the miRNAs, identified a CAVD protein–protein interaction network containing seven seed genes (apolipoprotein A1 (APOA1), hemoglobin subunit β (HBB), transferrin (TF), α-2-macroglobulin (A2M), transforming growth factor β-induced protein (TGFBI), serpin family A member 1 (SERPINA1), lipopolysaccharide binding protein (LBP), inter-α-trypsin inhibitor heavy chain 3 (ITIH3) and immunoglobulin κ constant (IGKC)), four input miRNAs (miR-335-5p, miR-3663-3p, miR-21-5p, miR-93-5p) and two connector genes (amyloid beta precursor protein (APP) and transthyretin (TTR)). In a metabolite–gene–disease network, Alzheimer’s disease exhibited the highest degree of betweenness. To further strengthen the associations based on the multi-omics approach, we validated the presence of APP and TTR in calcified valves from CAVD patients by immunohistochemistry. Our study suggests a novel molecular CAVD network potentially linked to the formation of amyloid-like structures. Further investigations on the associated mechanisms and therapeutic potential of targeting amyloid-like deposits in CAVD may offer significant health benefits.
Water- and Oil-Repellent Surfaces
Authors: Karapanagiotis Ioannis
Published: September 2020

In the last two decades, materials of extreme wetting properties have received significant attention, as they offer new perspectives providing numerous potential applications [...]
Biodiversity of Vegetation and Flora in Tropical Africa
Authors: Catarino Luís , Romeiras Maria M.
Published: September 2020

African ecosystems comprise a wealthy repository of biodiversity with a high proportion of native and endemic plant species, which makes them biologically unique and providers of a wide range of ecosystem services. A large part of African populations, in both rural and urban areas, depends on plants for their survival and welfare, but many ecosystems are being degraded, mostly due to the growing impacts of climate change and other anthropogenic actions and environmental problems. Loss of habitat and biodiversity affects livelihoods, water supply and food security, and reduces the resilience of ecosystems in the African continent. Knowledge of the huge African plant and ecosystem diversity, and on the structure, composition and processes involved in vegetation dynamics, is crucial to promote their sustainable use and to preserve one of the most understudied regions in the world. This Special Issue aimed to gather contributions that update and improve such knowledge.
CT Findings in Negative Pressure Pulmonary Edema
Authors: Holzgreve Adrien , Fabritius Matthias P. , Conter Philippe
Published: September 2020

Negative pressure pulmonary edema (NPPE) is a rare, potentially life-threatening, and yet diagnostically challenging perioperative complication. Most cases of NPPE occur in the context of anesthetic procedures, mainly caused by upper airway obstruction, and are diagnosed during the recovery period. We present a case of fulminant NPPE in a patient during general anesthesia which illustrates the eye-catching CT findings that can occur in NPPE and eventually support diagnosis. With regard to the current pandemic, we include a discussion of the typical imaging patterns of COVID-19 as a radiological differential diagnosis of NPPE. A 42-year old male patient presented with sudden respiratory insufficiency during arthroscopic knee lavage and subsequently required highly invasive ventilation therapy and catecholamine administration. Postoperative CT imaging of the thorax exhibited extensive, centrally accentuated consolidations with surrounding ground-glass opacity in all lung lobes, suggestive of pulmonary edema. In view of the clinical course and the imaging findings, a negative pressure pulmonary edema (NPPE) was diagnosed.
Myocardial Function, Heart Failure and Arrhythmia in Marfan Syndrome: A Systematic Literature Review
Authors: Demolder Anthony , von Kodolitsch Yskert , Muiño-Mosquera Laura , De Backer Julie
Published: September 2020

Marfan syndrome (MFS) is a heritable systemic connective tissue disease with important cardiovascular involvement, including aortic root dilatation and mitral valve prolapse. Life expectancy in patients with MFS is mainly determined by cardiovascular complications, among which aortic dissection or rupture are most dreaded. In recent years, heart failure and ventricular arrhythmia have drawn attention as extra-aortic cardiovascular manifestations and as additional reported causes of death. Imaging studies have provided data supporting a primary myocardial impairment in the absence of valvular disease or cardiovascular surgery, while studies using ambulatory ECG have demonstrated an increased susceptibility to ventricular arrhythmia. In this paper, current literature was reviewed in order to provide insights in characteristics, pathophysiology and evolution of myocardial function, heart failure and ventricular arrhythmia in MFS.
Open-Circuit Fault Diagnosis of Three-Phase PWM Rectifier Using Beetle Antennae Search Algorithm Optimized Deep Belief Network
Authors: Du Bolun , He Yigang , Zhang Yaru
Published: September 2020

Effective open-circuit fault diagnosis for a two-level three-phase pulse-width modulating (PWM) rectifier can reduce the failure rate and prevent unscheduled shutdown. Nevertheless, traditional signal-based feature extraction methods show poor distinguishability for insufficient fault features. Shallow learning diagnosis models are prone to fall into local extremum, slow convergence speed, and overfitting. In this paper, a novel fault diagnosis strategy based on modified ensemble empirical mode decomposition (MEEMD) and the beetle antennae search (BAS) algorithm optimized deep belief network (DBN) is proposed to cope with these problems. Initially, MEEMD is applied to extract useful fault features from each intrinsic mode function (IMF) component. Meanwhile, to remove features with redundancy and interference, fault features are selected by calculating the importance of each feature based on the extremely randomized trees (ERT) algorithm, and the dimension of fault feature vectors is reduced by principal component analysis. Additionally, the DBN stacked with two layers of a restricted Boltzmann machine (RBM) is selected as the classifier, and the BAS algorithm is used as the optimizer to determine the optimal number of units in the hidden layers of the DBN. The proposed method combined with feature extraction, feature selection, optimization, and fault classification algorithms significantly improves the diagnosis accuracy.
Impact of Media Heat Treatment on Cell Morphology and Stability of L. acidophilus, L. johnsonii and L. delbrueckii subsp. delbrueckii during Fermentation and Processing
Authors: Ludszuweit Marie , Schmacht Maximilian , Keil Claudia , Haase Hajo , Senz Martin
Published: September 2020

Manufacturers of starter cultures and probiotics aim to provide preparations with the highest possible amount of living cells and assurance of long-term storage stability. Thereby the industrial economy and thus an efficient outcome of the processes is of utmost importance. Earlier research has shown that the sterilization procedure of the microbial culture medium tremendously impacts growth performance of heating product-sensitive Lactobacillus strains. Thus, three different strains, i.e., L. acidophilus NCFM, L. johnsonii La-2801 and L. delbrueckii subsp. delbrueckii La-0704, were investigated for the influence of media heat pretreatment on cell morphology and stability during fermentation and further freeze drying and storage. The data indicate a relationship between the heating time of the culture medium, which is associated with an increase in browning reactions, and the cultural characteristics of the three strains. The resulting characteristic cell sizes of the cultures could be a major reason for the different stability properties during processing and storage that were observed. Besides the obvious relevance of the results for the production of starter cultures and probiotics, the pleomorphic phenomenon described here could also be a subject for other biotechnological processes, where heat-mediated media conversions, and thereby related cellular effects, could be a topic. Future studies have to show if further functional properties are influenced by the cell morphology and which cellular mechanisms lead to the observed pleomorphism.
Statistical Parametric Mapping Reveals Subtle Gender Differences in Angular Movements in Table Tennis Topspin Backhand
Authors: Bańkosz Ziemowit , Winiarski Sławomir
Published: September 2020

Background: Statistical parametric mapping (SPM) is an innovative method based on the analysis of time series (data series) and is equivalent to statistical methods for numerical (discrete) data series. This study aimed to analyze the patterns of movement in the topspin backhand stroke in table tennis and to use SPM to compare these patterns between advanced female and male players. Methods: The research involved seven advanced male and six advanced female players. The kinematic parameters were measured using an inertial motion analysis system. The SPM was computed using the SPM1D Python package. Results: Our study made it possible to reproduce the pattern of movement in the joints during topspin backhand strokes in the studied athletes. During multiple comparisons, the analysis of variance (ANOVA) SPM test revealed many areas in the studied parameter series with statistically significant differences (p ≤ 0.01). Conclusions: The study presents the movement patterns in the topspin backhand shot and describes the proximal-to-distal sequencing principle during this shot. The SPM study revealed differences between men and women in the contribution of thoracic rotation, external shoulder rotation, dorsal flexion, and supination in the wrist during the hitting phase. These differences may result from the anatomical gender differences or variations in other functionalities of individual body segments between the study groups. Another possible source for these discrepancies may reside in tactical requirements, especially the need for a more vigorous attack in men. The gender differences presented in this study can help in the individualization of the training process in table tennis.
Saved by Wealth? Income, Wealth, and Self-Perceived Health in Spain during the Financial Crisis
Authors: López-Casasnovas Guillem , Saez Marc
Published: September 2020

We evaluate the association between the variations in income and wealth, (both aggregate and split between real estate and financial wealth), and self-perceived health in Spain using a longitudinal sample of individuals before and after the financial crisis. We estimated generalized linear mixed models, with a binomial response and a logistic link, for four waves of the Spanish Survey of Household Finances (two before and two after the crisis), adjusting for variables at the family and individual levels. We also controlled for familial and individual heterogeneity and for temporal trends. While an increase in wealth greatly increases the probability of younger individuals reporting better health, this is not the case for older individuals. Decreases in gross wealth are associated with decreases in the probability of declaring good/very good health only in families whose reference person is over 44 years old. We conclude that: (i) not just income but net wealth effects impact on the consequences of income fluctuations on consumption and health assessed, (ii) the composition of individuals’ net wealth may also matter, since they are differently affected by the shocks in the economic crisis, (iii) age plays a significant role and, finally, (iv) individual reactions in terms of consumption and savings, given any level of income and wealth, according to the risk aversions for precautionary idiosyncratic motives, may also need to be considered in order to complete the picture.
Thermal Decomposition of Nanostructured Bismuth Subcarbonate
Authors: Sheng Su , Jin Shengming , Cui Kuixin
Published: September 2020

Nanostructured (BiO)2CO3 samples were prepared, and their thermal decomposition behaviors were investigated by thermogravimetric analysis under atmospheric conditions. The method of preparation and Ca2+ doping could affect the morphologies of products and quantity of defects, resulting in different thermal decomposition mechanisms. The (BiO)2CO3 nanoplates decomposed at 300–500 °C with an activation energy of 160–170 kJ/mol. Two temperature zones existed in the thermal decomposition of (BiO)2CO3 and Ca-(BiO)2CO3 nanowires. The first one was caused by the decomposition of (BiO)4(OH)2CO3 impurities and (BiO)2CO3 with surface defects, with an activation energy of 118–223 kJ/mol, whereas the second one was attributed to the decomposition of (BiO)2CO3 in the core of nanowires, with an activation energy of 230–270 kJ/mol for the core of (BiO)2CO3 nanowires and 210–223 kJ/mol for the core of Ca-(BiO)2CO3 nanowires. Introducing Ca2+ ions into (BiO)2CO3 nanowires improved their thermal stability and accelerated the decomposition of (BiO)2CO3 in the decomposition zone.
Elastoplastic Fracture Analysis of the P91 Steel Welded Joint under Repair Welding Thermal Shock Based on XFEM
Authors: Yang Kai , Zhang Yingjie , Zhao Jianping
Published: September 2020

P91 steel is a typical steel used in the manufacture of boilers in ultra-supercritical power plants and heat exchangers in nuclear power plants. For the long-term serviced P91 steel pressurized structures, the main failure mode is the welded joint failure, especially the heat affected zone (HAZ) failure. Repair welding technique is an effective method for repairing such local defects. However, the thermal shock composed of high temperature and thermal stress in the repair welding process will pose a critical loading condition for the existing defects near the heat source which cannot be detected by conventional means. So, the evaluation of structural integrity for the welded joint in the thermal-mechanical coupling field is necessary. In this work, the crack propagation law in the HAZ for the P91 steel welded joint was investigated under repair welding thermal loads. The weld repair model of the P91 steel welded joint was established by ABAQUS. The transient temperature field and stress field in repair welding process were calculated by relevant user subroutines and sequential coupling simulation method. The residual stress was determined by the impact indentation strain method to verify the feasibility of the finite element (FE) model and simulation method. In order to obtain the crack propagation path, the elastoplastic fracture analysis of the welded joint with initial crack was performed based on the extended finite element method (XFEM). The influence of different welding linear energy on the crack propagation was analyzed. The results show that the cracks in the HAZ propagate perpendicular to the surface and tend to deflect to the welding seam under repair welding thermal loads. The crack propagation occurs in the early stage of cooling. Higher welding linear energy leads to larger HAZ and higher overall temperature. With the increase of welding linear energy, the length and critical distance of the crack propagation increase. Therefore, low welding linear energy can effectively inhibit the crack propagation in the HAZ. The above calculation and analysis provide a reference for the thermal shock damage analysis of repair welding process, which is of great significance to improving the safety and reliability of weld repaired components.
Anthocyanin Intake and Physical Activity: Associations with the Lipid Profile of a US Working Population
Authors: Hershey Maria S. , Sotos-Prieto Mercedes , Ruiz-Canela Miguel , Martinez-Gonzalez Miguel Angel , Cassidy Aedin , Moffatt Steven , Kales Stefanos N.
Published: September 2020

While growing evidence exists on the independent associations between anthocyanins and physical activity on cardiovascular disease (CVD) risk determinants, the possible interaction between these exposures has not yet been studied. We aimed to study the potential synergism between anthocyanin intake and physical activity on lipid profile measures. This cross-sectional study was conducted among 249 US career firefighters participating in the Feeding America’s Bravest trial. Anthocyanin intake was calculated using a validated food frequency questionnaire (FFQ) and physical activity level by a validated questionnaire. Multivariable linear regression models determined the extent to which anthocyanin intake and physical activity predicted lipid parameters. Generalized linear models were used for joint effect and interaction analyses on the multiplicative and additive scales. Both anthocyanins and physical activity were independently inversely associated with total cholesterol:high density lipoprotein (HDL) cholesterol. Only physical activity was inversely associated with triglycerides, low density lipoprotein (LDL) cholesterol:HDL, and triglycerides (TG):HDL. Although the combined exposure of low anthocyanin intake and low physical activity was associated with lower (RR = 2.83; 95% CI: 1.42 to 5.67) HDL cholesterol <40 mg/dL, neither multiplicative (p = 0.72) nor additive interactions were detected (relative excess risk due to interaction (RERI): 0.02; 95% CI: −1.63 to 1.66; p = 0.98). Our findings provide insight on the potential synergism between anthocyanin intake and physical activity on the lipid profile.
Solvent Free Three-Component Synthesis of 2,4,5-trisubstituted-1H-pyrrol-3-ol-type Compounds from L-tryptophan: DFT-B3LYP Calculations for the Reaction Mechanism and 3H-pyrrol-3-one↔1H-pyrrol-3-ol Tautomeric Equilibrium
Authors: Quiroga Diego , Becerra Lili Dahiana , Coy-Barrera Ericsson
Published: September 2020

In this paper, we describe the solvent-free three-component synthesis of 2,4,5-trisubstituted-1H-pyrrol-3-ol-type compounds from L-tryptophan. The first step of the synthetic methodology involved the esterification of L-tryptophan in excellent yields (93–98%). Equimolar mixtures of alkyl 2-aminoesters, 1,3-dicarbonyl compounds, and potassium hydroxide (0.1 eq.) were heated under solvent-free conditions. The title compounds were obtained in moderate to good yields (45%–81%). Density functional theory using “Becke, 3-parameter, Lee–Yang–Parr” correlational functional (DFT-B3LYP) calculations were performed to understand the molecular stability of the synthesized compounds and the tautomeric equilibrium from 3H-pyrrol-3-one type intermediates to 1H-pyrrol-3-ol type aromatized rings.
Clonal Variation in the Bark Chemical Properties of Hybrid Aspen: Potential for Added Value Chemicals
Authors: Korkalo Pasi , Korpinen Risto , Beuker Egbert , Sarjala Tytti , Hellström Jarkko , Kaseva Janne , Lassi Ulla , Jyske Tuula
Published: September 2020

This study aims to promote comprehensive utilization of woody biomass by providing a knowledgebase on the utility of aspen bark as a new alternative source for fossil-based chemicals. The research focused on the analysis of clonal variation in: (1) major chemical components, i.e., hemicelluloses, cellulose, and lignin; (2) extraneous materials, i.e., bark extractives, and suberic acid; (3) condensed tannins content and composition; and (4) screening differences in antioxidative properties and total phenolic content of hot water extracts and ethanol-water extracts of hybrid aspen bark. Results of this study, the discovery of clonal variation in utilizable chemicals, pave the way for further research on added-value potential of under-utilized hybrid aspen and its bark. Clonal variation was found in notable part of chemicals with potential for utilization. Based on the results, an appropriate bark raw material can be selected for tailored processing, thus improving the resource efficiency. The results also indicate that by applying cascade processing concepts, bark chemical substances could be more efficiently utilized with more environmentally friendly methods.
The Effect of Nanoparticles on the Structure and Enzymatic Activity of Human Carbonic Anhydrase I and II
Authors: Cabaleiro-Lago Celia , Lundqvist Martin
Published: September 2020

Human carbonic anhydrases (hCAs) belong to a well characterized group of metalloenzymes that catalyze the conversion of carbonic dioxide into bicarbonate. There are currently 15 known human isoforms of carbonic anhydrase with different functions and distribution in the body. This links to the relevance of hCA variants to several diseases such as glaucoma, epilepsy, mountain sickness, ulcers, osteoporosis, obesity and cancer. This review will focus on two of the human isoforms, hCA I and hCA II. Both are cytosolic enzymes with similar topology and 60% sequence homology but different catalytic efficiency and stability. Proteins in general adsorb on surfaces and this is also the case for hCA I and hCA II. The adsorption process can lead to alteration of the original function of the protein. However, if the function is preserved interesting biotechnological applications can be developed. This review will cover the knowledge about the interaction between hCAs and nanomaterials. We will highlight how the interaction may lead to conformational changes that render the enzyme inactive. Moreover, the importance of different factors on the final effect on hCAs, such as protein stability, protein hydrophobic or charged patches and chemistry of the nanoparticle surface will be discussed.
Solvent Deuterium Oxide Isotope Effects on the Reactions of Organophosphorylated Acetylcholinesterase
Authors: Rosenberry Terrone L.
Published: September 2020

Organophosphates (OPs) are esters of substituted phosphates, phosphonates or phosphoramidates that react with acetylcholinesterase (AChE) by initially transferring the organophosphityl group to a serine residue in the enzyme active site, concomitant with loss of an alcohol or halide leaving group. With substituted phosphates, this transfer is followed by relatively slow hydrolysis of the organophosphoryl AChE, or dephosphorylation, that is often accompanied by an aging reaction that renders the enzyme irreversibly inactivated. Aging is a dealkylation that converts the phosphate triester to a diester. OPs are very effective AChE inhibitors and have been developed as insecticides and chemical warfare agents. We examined three reactions of two organophosphoryl AChEs, dimethyl- and diethylphosphorylated AChE, by comparing rate constants and solvent deuterium oxide isotope effects for hydrolysis, aging and oxime reactivation with pralidoxime (2-PAM). Our study was motivated (1) by a published x-ray crystal structure of diethylphosphorylated AChE, which showed severe distortion of the active site that was restored by the binding of pralidoxime, and (2) by published isotope effects for decarbamoylation that decreased from 2.8 for N-monomethylcarbamoyl AChE to 1.1 for N,N-diethylcarbamoyl AChE. We previously reconciled these results by proposing a shift in the rate-limiting step from proton transfer for the small carbamoyl group to a likely conformational change in the distorted active site of the large carbamoyl enzyme. This proposal was tested but was not supported in this report. The smaller dimethylphosphoryl AChE and the larger diethylphosphoryl AChE gave similar isotope effects for both oxime reactivation and hydrolysis, and the isotope effect values of about two indicated that proton transfer was rate limiting for both reactions.
Optimization of Pt-C Deposits by Cryo-FIBID: Substantial Growth Rate Increase and Quasi-Metallic Behaviour
Authors: Salvador-Porroche Alba , Sangiao Soraya , Philipp Patrick , Cea Pilar , Teresa José María De
Published: September 2020

The Focused Ion Beam Induced Deposition (FIBID) under cryogenic conditions (Cryo-FIBID) technique is based on obtaining a condensed layer of precursor molecules by cooling the substrate below the condensation temperature of the gaseous precursor material. This condensed layer is irradiated with ions according to a desired pattern and, subsequently, the substrate is heated above the precursor condensation temperature, revealing the deposits with the shape of the exposed pattern. In this contribution, the fast growth of Pt-C deposits by Cryo-FIBID is demonstrated. Here, we optimize various parameters of the process in order to obtain deposits with the lowest-possible electrical resistivity. Optimized ~30 nm-thick Pt-C deposits are obtained using ion irradiation area dose of 120 μC/cm2 at 30 kV. This finding represents a substantial increment in the growth rate when it is compared with deposits of the same thickness fabricated by standard FIBID at room temperature (40 times enhancement). The value of the electrical resistivity in optimized deposits (~4 × 104 µΩ cm) is suitable to perform electrical contacts to certain materials. As a proof of concept of the potential applications of this technology, a 100 µm × 100 µm pattern is carried out in only 43 s of ion exposure (area dose of 23 μC/cm2), to be compared with 2.5 h if grown by standard FIBID at room temperature. The ion trajectories and the deposit composition have been simulated using a binary-collision-approximation Monte Carlo code, providing a solid basis for the understanding of the experimental results.
Nitrogen, Phosphorus and Sulfur Co-Doped Pyrolyzed Bacterial Cellulose Nanofibers for Supercapacitors
Authors: Li Zheng , Wang Yaogang , Xia Wen , Gong Jixian , Jia Shiru , Zhang Jianfei
Published: September 2020

Heteroatom doping is an effective way to raise the electrochemical properties of carbon materials. In this paper, a novel electrode material including nitrogen, phosphorus, and sulfur co-doped pyrolyzed bacterial cellulose (N/P/S-PBC) nanofibers was produced. The morphologies, structure characteristics and electrochemical performances of the materials were investigated by Scanning electron microscopy, Fourier transform infrared spectra, X-ray diffraction patterns, X-ray photoelectronic spectroscopy, N2 sorption analysis and electrochemical measurements. When 3.9 atom% of nitrogen, 1.22 atom% of phosphorus and 0.6 atom% of sulfur co-doped into PBC, the specific capacitance of N/P/S-PBC at 1.0 A/g was 255 F/g and the N/P/S-PBC supercapacitors’ energy density at 1 A/g was 8.48 Wh/kg with a power density of 489.45 W/kg, which were better than those of the N/P-PBC and N/S-PBC supercapacitors. This material may be a very good candidate as the promising electrode materials for high-performance supercapacitors.
Nano Porous Carbon Derived from Citrus Pomace for the Separation and Purification of PMFs in Citrus Processing Wastes
Authors: Li Zhenqing , Chen Xin , Qiu Lulu , Wang Yu , Zhou Zhiqin
Published: September 2020

The by-product of citrus juice processing is a huge source of bioactive compounds, especially polymethoxyflavones (PMFs) and fibers. In this study, a method for the separation and purification of PMFs from citrus pomace was established based on citrus nanoporous carbon (CNPC) enrichment. Different biomass porous carbons were synthesized, their adsorption/desorption characteristics were evaluated, and the CNPCs from the peel of Citrus tangerina Tanaka were found to be best for the enrichment of PMFs from the crude extracts of citrus pomace. Using this method, six PMF compounds including low-abundant PMFs in citrus fruits such as 5,6,7,4′-tetramethoxyflavone and 5-hydroxy-6,7,8,3′,4′-pentamethoxyflavone can be simultaneously obtained, and the purities of these compounds were all higher than 95%, with the highest purity of nobiletin reaching 99.96%. Therefore, CNPCs have a great potential for the separation and purification of PMFs in citrus processing wastes, potentially improving the added value of citrus wastes. We also provide a method reference for disposing of citrus pomace in the future.
Influence of Nutrient Intake on 24 Hour Urinary Hydration Biomarkers Using a Clustering-Based Approach
Authors: Adams William M. , Wininger Michael , Zaplatosch Mitchell E. , Hevel Derek J. , Maher Jaclyn P. , McGuirt Jared T.
Published: September 2020

Previous work focusing on understanding nutrient intake and its association with total body water homeostasis neglects to consider the collinearity of types of nutrients consumed and subsequent associations with hydration biomarkers. Therefore, the purpose of this study was to analyze consumption patterns of 23 a priori selected nutrients involved in osmotic homeostasis, as well as their association with 24 h urinary hydration markers among fifty African–American first-year college students through a repeated measures observation in a daily living setting. Through application of hierarchical clustering, we were able to identity four clusters of nutrients based on 24 h dietary recalls: (1) alcohol + pinitol, (2) water + calcium + magnesium + erythritol + inositol + sorbitol + xylitol, (3) total calories + total fat + total protein + potassium + sodium + zinc + phosphorous + arginine, and (4) total carbohydrates + total fiber + soluble fiber + insoluble fiber + mannitol + betaine. Furthermore, we found that consumption of nutrients in Cluster #2 was significantly predictive of urine osmolality (p = 0.004); no other clusters showed statistically significant associations with 24 h urinary hydration biomarkers. We conclude that there may be some nutrients that are commonly consumed concomitantly (at the day level), across a variety of settings and populations, and that a limited subset of the clustering of these nutrients may associate with body water status.
Separating the Signal from the Noise: How Psychiatric Diagnoses Can Help Discern Food Addiction from Dietary Restraint
Authors: Wiss David , Brewerton Timothy
Published: September 2020

Converging evidence from both animal and human studies have implicated hedonic eating as a driver of both binge eating and obesity. The construct of food addiction has been used to capture pathological eating across clinical and non-clinical populations. There is an ongoing debate regarding the value of a food addiction “diagnosis” among those with eating disorders such as anorexia nervosa binge/purge-type, bulimia nervosa, and binge eating disorder. Much of the food addiction research in eating disorder populations has failed to account for dietary restraint, which can increase addiction-like eating behaviors and may even lead to false positives. Some have argued that the concept of food addiction does more harm than good by encouraging restrictive approaches to eating. Others have shown that a better understanding of the food addiction model can reduce stigma associated with obesity. What is lacking in the literature is a description of a more comprehensive approach to the assessment of food addiction. This should include consideration of dietary restraint, and the presence of symptoms of other psychiatric disorders (substance use, posttraumatic stress, depressive, anxiety, attention deficit hyperactivity) to guide treatments including nutrition interventions. The purpose of this review is to help clinicians identify the symptoms of food addiction (true positives, or “the signal”) from the more classic eating pathology (true negatives, or “restraint”) that can potentially elevate food addiction scores (false positives, or “the noise”). Three clinical vignettes are presented, designed to aid with the assessment process, case conceptualization, and treatment strategies. The review summarizes logical steps that clinicians can take to contextualize elevated food addiction scores, even when the use of validated research instruments is not practical.
Nutrition Claims Frequency and Compliance in a Food Sample of the Spanish Market: The BADALI Study
Authors: Ropero Ana B. , Blain Nuria , Beltrá Marta
Published: September 2020

Nutrition claims (NCs) have been shown to affect customers’ perceptions and behaviour. In Europe, they are regulated by Regulation (EC) No 1924/2006. The aim of this work was to analyse the prevalence and compliance of NCs according to this regulation in Spain. For this purpose, we used the BADALI database, which included 3197 foods present in the Spanish market. Our results show that 36.1% of all foods carried NCs, at a rate of 3.3 NCs/food. The prevalence was very heterogeneous among food groups. Nuts and seeds, legumes and non-alcoholic beverages were the groups with the highest prevalence. Micronutrients, fat, fibre and sugars were the nutrients most referred to in NCs. Overall, the compliance was low, with 49.2% NCs correct. Fibre and proteins were the nutrients with most correct NCs. Vegetables and non-alcoholic beverages were the food groups with the highest proportion of correct NCs. The main reason for incorrect NCs was because the amount of the nutrient was not stated in the label. The results of our study reveal that the aim of the European Commission to ensure a high level of protection for consumers regarding NCs has not been fulfilled. Therefore, we consider it crucial that European institutions invest in guaranteeing regulation compliance.
Interrelation between Plasma Concentrations of Vitamins C and E along the Trajectory of Ageing in Consideration of Lifestyle and Body Composition: A Longitudinal Study over Two Decades
Authors: Jungert Alexandra , Neuhäuser-Berthold Monika
Published: September 2020

Although the interrelation between vitamins C and E has been demonstrated on an experimental level, its impact on biomarkers in community-dwelling subjects along the trajectory of ageing has not yet been shown. The present longitudinal study investigates the determinants and interrelation of vitamins C and E plasma concentrations in 399 subjects aged ≥60 years with a median follow-up time of 12 years. Linear mixed-effects models were used to analyze the influence of age, sex, body composition, dietary intake, physical activity, smoking and supplement/drug use on plasma vitamin C, plasma α-tocopherol and α-tocopherol/total cholesterol ratio. At baseline, median plasma concentrations of vitamin C and α-tocopherol were 74 and 35 µmol/L. Absolute fat-free mass, physical activity, use of supplements, and plasma α-tocopherol were main determinants of plasma vitamin C in the course of ageing. For the α-tocopherol/total cholesterol ratio, age, use of supplements, use of lipid-modifying drugs, and plasma vitamin C were main determinants. The results reveal a stable positive interrelation between plasma concentrations of vitamins C and E along the trajectory of ageing independent of the other identified determinants. The possible regulatory mechanisms that could explain this robust positive interrelation remain to be elucidated.
Identification of MAMP-Responsive Plasma Membrane-Associated Proteins in Arabidopsis thaliana Following Challenge with Different LPS Chemotypes from Xanthomonas campestris
Authors: Hussan Raeesa H. , Dubery Ian A. , Piater Lizelle A.
Published: September 2020

Lipopolysaccharides (LPS) are recognized as microbe-associated molecular patterns (MAMPs) responsible for eliciting defense-related responses and while the effects have been well-documented in mammals, there is a lack of knowledge regarding the mechanism of perception in plant systems and recognized structural moieties within the macromolecular lipoglycan structure. Thus, identification of the LPS plasma membrane (PM) receptor(s)/receptor complex in Arabidopsis thaliana through proteomics will contribute to a deeper understanding of induced defense responses. As such, structurally characterized LPS chemotypes from Xanthomonas campestris pv. campestris (Xcc) wild-type 8004 (prototypical smooth-type LPS) and mutant 8530 (truncated core with no O–chain) strains were utilized to pre-treat A. thaliana plants. The associated proteomic response/changes within the PM were compared over a 24 h period using mass spectrometry-based methodologies following three variants of LPS-immobilized affinity chromatography. This resulted in the identification of proteins from several functional categories, but importantly, those involved in perception and defense. The distinct structural features between wild-type and mutant LPS are likely responsible for the differential changes to the proteome profiles, and many of the significant proteins were identified in response to the wild-type Xcc LPS where it is suggested that the core oligosaccharide and O-chain participate in recognition by receptor-like kinases (RLKs) in a multiprotein complex and, notably, varied from that of the mutant chemotype.
Recent Insights in Barium-131 as a Diagnostic Match for Radium-223: Cyclotron Production, Separation, Radiolabeling, and Imaging
Authors: Reissig Falco , Bauer David , Ullrich Martin , Kreller Martin , Pietzsch Jens , Mamat Constantin , Kopka Klaus , Pietzsch Hans-Jürgen , Walther Martin
Published: September 2020

Barium-131 is a single photon emission computed tomography (SPECT)-compatible radionuclide for nuclear medicine and a promising diagnostic match for radium-223/-224. Herein, we report on the sufficient production route 133Cs(p,3n)131Ba by using 27.5 MeV proton beams. An average of 190 MBq barium-131 per irradiation was obtained. The SR Resin-based purification process led to barium-131 in high radiochemical purity. An isotopic impurity of 0.01% barium-133 was detectable. For the first time, radiolabeling of the ligand macropa with barium-131 was performed. Radiolabeling methods under mild conditions and reaction controls based on TLC systems were successfully applied. Small animal SPECT/ computed tomography (CT) measurements and biodistribution studies were performed using [131Ba]Ba(NO3)2 as reference and 131Ba-labeled macropa in healthy mice for the first time. Biodistribution studies revealed the expected rapid bone uptake of [131Ba]Ba2+, whereas 131Ba-labeled macropa showed a fast clearance from the blood, thereby showing a significantly (p < 0.001) lower accumulation in the bone. We conclude that barium-131 is a promising SPECT radionuclide and delivers appropriate imaging qualities in small animals. Furthermore, the relative stability of the 131Ba-labeled macropa complex in vivo forms the basis for the development of sufficient new chelators, especially for radium isotopes. Thereby, barium-131 will attain its goal as a diagnostic match to the alpha emitters radium-223 and radium-224.
In Vitro Activity of Carbosilane Cationic Dendritic Molecules on Prevention and Treatment of Candida Albicans Biofilms
Authors: Heredero-Bermejo Irene , Gómez-Casanova Natalia , Quintana Sara , Soliveri Juan , de la Mata Francisco Javier , Pérez-Serrano Jorge , Sánchez-Nieves Javier , Copa-Patiño José Luis
Published: September 2020

Candida spp. are one of the most common fungal pathogens. Biofilms formed by Candidaalbicans offer resistance mechanisms against most antifungal agents. Therefore, development of new molecules effective against these microorganisms, alone or in combination with antifungal drugs, is extremely necessary. In the present work, we carried out a screening process of different cationic carbosilane dendritic molecules against C. albicans. In vitro activity against biofilm formation and biofilms was tested in both Colección Española de Cultivos Tipo (CECT) 1002 and clinical C. albicans strains. Cytotoxicity was studied in human cell lines, and biofilm alterations were observed by scanning electron microscopy (SEM). Antifungal activity of the carbosilane dendritic molecules was assessed by monitoring cell viability using both established and novel cell viability assays. One out of 14 dendritic molecules tested, named BDSQ024, showed the highest activity with a minimum biofilm inhibitory concentration (MBIC) for biofilm formation and a minimum biofilm damaging concentration (MBDC) for existing biofilm of 16–32 and 16 mg/L, respectively. Synergy with amphotericin (AmB) and caspofungin (CSF) at non-cytotoxic concentrations was found. Therefore, dendritic compounds are exciting new antifungals effective at preventing Candida biofilm formation and represent a potential novel therapeutic agent for treatment of C. albicans infection in combination with existing clinical antifungals.
Interaction of Hydroxychloroquine with Pharmacokinetically Important Drug Transporters
Authors: Weiss Johanna , Bajraktari-Sylejmani Gzona , Haefeli Walter E.
Published: September 2020

(1) Background: Hydroxychloroquine is used to treat malaria and autoimmune diseases, and its potential use against COVID-19 is currently under investigation. Thus far, information on interactions of hydroxychloroquine with drug transporters mediating drug-drug interactions is limited. We assessed the inhibition of important efflux (P-glycoprotein (P-gp), breast cancer resistance protein (BCRP)) and uptake transporters (organic anion transporting polypeptide (OATP)-1B1, OATP1B3, OATP2B1) by hydroxychloroquine, tested its P-gp and BCRP substrate characteristics, and evaluated the induction of pharmacokinetically relevant genes regulated by the nuclear pregnane X (PXR) (CYP3A4, ABCB1) and aryl hydrocarbon receptor (AhR) (CYP1A1, CYP1A2). (2) Methods: Transporter inhibition was evaluated in transporter over-expressing cell lines using fluorescent probe substrates. P-gp and BCRP substrate characteristics were assessed by comparing growth inhibition of over-expressing and parental cell lines. Possible mRNA induction was analysed in LS180 cells by quantitative real-time PCR. (3) Results: Hydroxychloroquine did not inhibit BCRP or the OATPs tested but inhibited P-gp at concentrations exceeding 10 µM. P-gp overexpressing cells were 5.2-fold more resistant to hydroxychloroquine than control cells stressing its substrate characteristics. Hydroxychloroquine did not induce genes regulated by PXR or AhR. (4) Conclusions: This is the first evidence that hydroxychloroquine’s interaction potential with drug transporters is low, albeit bioavailability of simultaneously orally administered P-gp substrates might be increased by hydroxychloroquine.