bluuebunny/crossref_metadata_2025 huggingface dataset:
Effect of Salt Stress on the Expression and Promoter Methylation of the Genes Encoding the Mitochondrial and Cytosolic Forms of Aconitase and Fumarase in Maize
Authors: Eprintsev Alexander T. , Fedorin Dmitry N. , Cherkasskikh Mikhail V. , Igamberdiev Abir U.
Published: June 2021

The influence of salt stress on gene expression, promoter methylation, and enzymatic activity of the mitochondrial and cytosolic forms of aconitase and fumarase has been investigated in maize (Zea mays L.) seedlings. The incubation of maize seedlings in 150-mM NaCl solution resulted in a several-fold increase of the mitochondrial activities of aconitase and fumarase that peaked at 6 h of NaCl treatment, while the cytosolic activity of aconitase and fumarase decreased. This corresponded to the decrease in promoter methylation of the genes Aco1 and Fum1 encoding the mitochondrial forms of these enzymes and the increase in promoter methylation of the genes Aco2 and Fum2 encoding the cytosolic forms. The pattern of expression of the genes encoding the mitochondrial forms of aconitase and fumarase corresponded to the profile of the increase of the stress marker gene ZmCOI6.1. It is concluded that the mitochondrial and cytosolic forms of aconitase and fumarase are regulated via the epigenetic mechanism of promoter methylation of their genes in the opposite ways in response to salt stress. The role of the mitochondrial isoforms of aconitase and fumarase in the elevation of respiration under salt stress is discussed.
Protein Aggregation Landscape in Neurodegenerative Diseases: Clinical Relevance and Future Applications
Authors: Candelise Niccolò , Scaricamazza Silvia , Salvatori Illari , Ferri Alberto , Valle Cristiana , Manganelli Valeria , Garofalo Tina , Sorice Maurizio , Misasi Roberta
Published: June 2021

Intrinsic disorder is a natural feature of polypeptide chains, resulting in the lack of a defined three-dimensional structure. Conformational changes in intrinsically disordered regions of a protein lead to unstable β-sheet enriched intermediates, which are stabilized by intermolecular interactions with other β-sheet enriched molecules, producing stable proteinaceous aggregates. Upon misfolding, several pathways may be undertaken depending on the composition of the amino acidic string and the surrounding environment, leading to different structures. Accumulating evidence is suggesting that the conformational state of a protein may initiate signalling pathways involved both in pathology and physiology. In this review, we will summarize the heterogeneity of structures that are produced from intrinsically disordered protein domains and highlight the routes that lead to the formation of physiological liquid droplets as well as pathogenic aggregates. The most common proteins found in aggregates in neurodegenerative diseases and their structural variability will be addressed. We will further evaluate the clinical relevance and future applications of the study of the structural heterogeneity of protein aggregates, which may aid the understanding of the phenotypic diversity observed in neurodegenerative disorders.
Microtubule Acetylation Controls MDA-MB-231 Breast Cancer Cell Invasion through the Modulation of Endoplasmic Reticulum Stress
Authors: Ko Panseon , Choi Jee-Hye , Song Seongeun , Keum Seula , Jeong Jangho , Hwang Ye Eun , Kim Jung Woong , Rhee Sangmyung
Published: June 2021

During aggressive cancer progression, cancer cells adapt to unique microenvironments by withstanding various cellular stresses, including endoplasmic reticulum (ER) stress. However, the mechanism whereby cancer cells overcome the ER stress to survive remains to be elucidated. Herein, we demonstrated that microtubule acetylation in cancer cells grown on a stiff matrix promotes cancer progression by preventing excessive ER stress. Downregulation of microtubule acetylation using shRNA or CRSIPR/Cas9 techniques targeting ATAT1, which encodes α-tubulin N-acetyltransferase (αTAT1), resulted in the upregulation of ER stress markers, changes in ER morphology, and enhanced tunicamycin-induced UPR signaling in cancer cells. A set of genes involved in cancer progression, especially focal adhesion genes, were downregulated in both ATAT1-knockout and tunicamycin-treated cells, whereas ATAT1 overexpression restored the gene expression inhibited by tunicamycin. Finally, the expression of ATAT1 and ER stress marker genes were negatively correlated in various breast cancer types. Taken together, our results suggest that disruption of microtubule acetylation is a potent therapeutic tool for preventing breast cancer progression through the upregulation of ER stress. Moreover, ATAT1 and ER stress marker genes may be useful diagnostic markers in various breast cancer types.
Micro RNAs in Regulation of Cellular Redox Homeostasis
Authors: Ciesielska Sylwia , Slezak-Prochazka Izabella , Bil Patryk , Rzeszowska-Wolny Joanna
Published: June 2021

In living cells Reactive Oxygen Species (ROS) participate in intra- and inter-cellular signaling and all cells contain specific systems that guard redox homeostasis. These systems contain both enzymes which may produce ROS such as NADPH-dependent and other oxidases or nitric oxide synthases, and ROS-neutralizing enzymes such as catalase, peroxiredoxins, thioredoxins, thioredoxin reductases, glutathione reductases, and many others. Most of the genes coding for these enzymes contain sequences targeted by micro RNAs (miRNAs), which are components of RNA-induced silencing complexes and play important roles in inhibiting translation of their targeted messenger RNAs (mRNAs). In this review we describe miRNAs that directly target and can influence enzymes responsible for scavenging of ROS and their possible role in cellular redox homeostasis. Regulation of antioxidant enzymes aims to adjust cells to survive in unstable oxidative environments; however, sometimes seemingly paradoxical phenomena appear where oxidative stress induces an increase in the levels of miRNAs which target genes which are supposed to neutralize ROS and therefore would be expected to decrease antioxidant levels. Here we show examples of such cellular behaviors and discuss the possible roles of miRNAs in redox regulatory circuits and further cell responses to stress.
Geant4-DNA Modeling of Water Radiolysis beyond the Microsecond: An On-Lattice Stochastic Approach
Authors: Tran Hoang Ngoc , Chappuis Flore , Incerti Sébastien , Bochud Francois , Desorgher Laurent
Published: June 2021

In this work, we use the next sub-volume method (NSM) to investigate the possibility of using the compartment-based (“on-lattice”) model to simulate water radiolysis. We, first, start with a brief description of the reaction-diffusion master equation (RDME) in a spatially discretized simulation volume (“mesh”), which is divided into sub-volumes (or “voxels”). We then discuss the choice of voxel size and merging technique of a given mesh, along with the evolution of the system using the hierarchical algorithm for the RDME (“hRDME”). Since the compartment-based model cannot describe high concentration species of early radiation-induced spurs, we propose a combination of the particle-based step-by-step (“SBS”) Brownian dynamics model and the compartment-based model (“SBS-RDME model”) for the simulation. We, finally, use the particle-based SBS Brownian dynamics model of Geant4-DNA as a reference to test the model implementation through several benchmarks. We find that the compartment-based model can efficiently simulate the system with a large number of species and for longer timescales, beyond the microsecond, with a reasonable computing time. Our aim in developing this model is to study the production and evolution of reactive oxygen species generated under irradiation with different dose rate conditions, such as in FLASH and conventional radiotherapy.
Asymmetric Solvation of the Zinc Dimer Cation Revealed by Infrared Multiple Photon Dissociation Spectroscopy of Zn2+(H2O)n (n = 1–20)
Authors: Cunningham Ethan M. , Taxer Thomas , Heller Jakob , Ončák Milan , van der Linde Christian , Beyer Martin K.
Published: June 2021

Investigating metal-ion solvation—in particular, the fundamental binding interactions—enhances the understanding of many processes, including hydrogen production via catalysis at metal centers and metal corrosion. Infrared spectra of the hydrated zinc dimer (Zn2+(H2O)n; n = 1–20) were measured in the O–H stretching region, using infrared multiple photon dissociation (IRMPD) spectroscopy. These spectra were then compared with those calculated by using density functional theory. For all cluster sizes, calculated structures adopting asymmetric solvation to one Zn atom in the dimer were found to lie lower in energy than structures adopting symmetric solvation to both Zn atoms. Combining experiment and theory, the spectra show that water molecules preferentially bind to one Zn atom, adopting water binding motifs similar to the Zn+(H2O)n complexes studied previously. A lower coordination number of 2 was observed for Zn2+(H2O)3, evident from the highly red-shifted band in the hydrogen bonding region. Photodissociation leading to loss of a neutral Zn atom was observed only for n = 3, attributed to a particularly low calculated Zn binding energy for this cluster size.
Carbon Monoxide and Nitric Oxide as Examples of the Youngest Class of Transmitters
Authors: Nowaczyk Alicja , Kowalska Magdalena , Nowaczyk Jacek , Grześk Grzegorz
Published: June 2021

The year 2021 is the 100th anniversary of the confirmation of the neurotransmission phenomenon by Otto Loewi. Over the course of the hundred years, about 100 neurotransmitters belonging to many chemical groups have been discovered. In order to celebrate the 100th anniversary of the confirmation of neurotransmitters, we present an overview of the first two endogenous gaseous transmitters i.e., nitric oxide, and carbon monoxide, which are often termed as gasotransmitters.
Aspects of Vibration-Based Methods for the Prestressing Estimate in Concrete Beams with Internal Bonded or Unbonded Tendons
Authors: Aloisio Angelo
Published: June 2021

The estimate of internal prestressing in concrete beams is essential for the assessment of their structural reliability. Many scholars have tackled multiple and diverse methods to estimate the measurable effects of prestressing. Among them, many experimented with dynamics-based techniques; however, these clash with the theoretical independence of the natural frequencies of the forces of internally prestressed beams. This paper examines the feasibility of a hybrid approach based on dynamic identification and the knowledge of the elastic modulus. Specifically, the author considered the effect of the axial deformation on the beam length and the weight per unit of volume. It is questioned whether the uncertainties related to the estimate of the elastic modulus and the first natural frequency yield reasonable estimates of the internal prestressing. The experimental testing of a set of full-scale concrete girders with known design prestressing supports a discussion about its practicability. The author found that the uncertainty in estimating the natural frequencies and elastic modulus significantly undermines a reliable estimate of the prestressing state.
The Association of Post-Concussion and Post-Traumatic Stress Disorder Symptoms with Health-Related Quality of Life, Health Care Use and Return-to-Work after Mild Traumatic Brain Injury
Authors: van der Vlegel Marjolein , Polinder Suzanne , Mikolic Ana , Kaplan Rana , von Steinbuechel Nicole , Plass Anne , Zeldovich Marina , van Praag Dominique , Bockhop Fabian , Cunitz Katrin , Mueller Isabelle , Haagsma Juanita ,   The CENTER-TBI Participants and Investigators
Published: June 2021

Patients with mild traumatic brain injury (mTBI) are at risk for post-concussion (PC) symptoms and post-traumatic stress disorder (PTSD). The co-occurrence of PC and PTSD symptoms after mTBI in relation to health-related quality of life (HRQoL), health care utilization, and return to work has not yet been investigated. PC and PTSD symptoms were measured six months post-TBI by respectively the Rivermead Post-Concussion Symptoms Questionnaire (RPQ) and the Post-Traumatic Stress Disorder Checklist for DSM-5 (PCL-5). Of the 1566 individuals after mTBI who met the inclusion criteria, 26.1% experienced PC symptoms (RPQ ≥16). Additionally, 9.8% experienced PTSD symptoms (PCL-5 ≥ 33), of which the vast majority (81%) also reported experiencing PC symptoms. Differences between patients with no/mild symptoms, with only PC, only PTSD, and both PC and PTSD symptoms in HRQoL, return to work, and rehabilitation were analyzed using logistic and linear regression analyses. Patients with PC and/or PTSD symptoms reported lower HRQoL, higher rates of rehabilitation, and lower return to work rates compared to patients with no/mild symptoms. Patients with both PC and PTSD symptoms reported significantly lower HRQoL (B = −2.73, CI = −4.65; −0.83, p < 0.001) compared to those with only PC symptoms, while there were no significant differences in their ongoing rehabilitation care (OR = 1.39, CI = 0.77–2.49, p = 0.272) and return to work rates (OR = 0.49, CI = 0.15–1.63, p = 0.246) at six months. These results underline the importance of the diagnosis and appropriate treatment of patients with mTBI, experiencing PC and/or PTSD symptoms.
Determining Chess Game State from an Image
Authors: Wölflein Georg , Arandjelović Ognjen
Published: June 2021

Identifying the configuration of chess pieces from an image of a chessboard is a problem in computer vision that has not yet been solved accurately. However, it is important for helping amateur chess players improve their games by facilitating automatic computer analysis without the overhead of manually entering the pieces. Current approaches are limited by the lack of large datasets and are not designed to adapt to unseen chess sets. This paper puts forth a new dataset synthesised from a 3D model that is an order of magnitude larger than existing ones. Trained on this dataset, a novel end-to-end chess recognition system is presented that combines traditional computer vision techniques with deep learning. It localises the chessboard using a RANSAC-based algorithm that computes a projective transformation of the board onto a regular grid. Using two convolutional neural networks, it then predicts an occupancy mask for the squares in the warped image and finally classifies the pieces. The described system achieves an error rate of 0.23% per square on the test set, 28 times better than the current state of the art. Further, a few-shot transfer learning approach is developed that is able to adapt the inference system to a previously unseen chess set using just two photos of the starting position, obtaining a per-square accuracy of 99.83% on images of that new chess set. The code, dataset, and trained models are made available online.
An Approach to Detect White Spots during Pre-Turning of DA718 Components
Authors: Pfirrmann Daniel , Baumann Jonas , Krebs Eugen , Biermann Dirk , Wiederkehr Petra
Published: June 2021

The increasing demand for high-performance components is leading to a greater use of advanced alloys such as DA718, which is, e.g., used in engine parts due to its high-temperature strength. The strict quality requirements pose major challenges for the machining of engine components for aircrafts. Quality deviations along the value chain can lead to high costs due to rework and, in the worst case, rejections in order to prevent material failure within a safety-critical environment. These deviations include, e.g., an increased surface roughness, deviations in the shape tolerances as well as increased internal stresses or surface deformations. Material defects are an additional reason to reject the manufactured components. These are usually inspected only at the end of the value chain and—due to measurement limitations—only if they occur close to the surface of the workpiece. Ultrasonic testing is used in order to detect defects near the surface of the raw part. For the evaluation of the finished part, etching and optical inspection of the surface is used. However, defects inside the components cannot be detected in this way. If material defects are located in areas subjected to intense load changes and high temperatures, the components have to be rejected since engine parts require a high level of fatigue strength. Such rejects constitute a significant economic risk, as a large part of the added value has already been completed and a significant amount of machine time has been invested. Thus, an identification of material defects in an earlier stage of the manufacturing process is required. In this paper, fundamental investigations on machining artificially generated material defects in a micro-milling process and the signal analysis during the pre-turning of turbine disks made of nickel-based materials like DA718 will be presented. Based on force measurements, characteristic signals were identified that could indicate material defects during the turning process.
Use of Genetic Programming for the Estimation of CODLAG Propulsion System Parameters
Authors: Anđelić Nikola , Baressi Šegota Sandi , Lorencin Ivan , Poljak Igor , Mrzljak Vedran , Car Zlatan
Published: June 2021

In this paper, the publicly available dataset for the Combined Diesel-Electric and Gas (CODLAG) propulsion system was used to obtain symbolic expressions for estimation of fuel flow, ship speed, starboard propeller torque, port propeller torque, and total propeller torque using genetic programming (GP) algorithm. The dataset consists of 11,934 samples that were divided into training and testing portions in an 80:20 ratio. The training portion of the dataset which consisted of 9548 samples was used to train the GP algorithm to obtain symbolic expressions for estimation of fuel flow, ship speed, starboard propeller, port propeller, and total propeller torque, respectively. After the symbolic expressions were obtained the testing portion of the dataset which consisted of 2386 samples was used to measure estimation performance in terms of coefficient of correlation (R2) and Mean Absolute Error (MAE) metric, respectively. Based on the estimation performance in each case three best symbolic expressions were selected with and without decay state coefficients. From the conducted investigation, the highest R2 and lowest MAE values were achieved with symbolic expressions for the estimation of fuel flow, ship speed, starboard propeller torque, port propeller torque, and total propeller torque without decay state coefficients while symbolic expressions with decay state coefficients have slightly lower estimation performance.
Trichoderma longibrachiatum and Trichoderma asperellum Confer Growth Promotion and Protection against Late Wilt Disease in the Field
Authors: Degani Ofir , Rabinovitz Onn , Becher Paz , Gordani Asaf , Chen Assaf
Published: June 2021

Late wilt disease (LWD) of maize, caused by Magnaporthiopsis maydis, is considered a major threat to commercial fields in Israel, Egypt, Spain, and India. Today’s control methods include chemical and agronomical intervention but rely almost solely on resistant maize cultivars. In recent years, LWD research focused on eco-friendly biological approaches to restrain the pathogen. The current study conducted during two growing seasons explores the potential of three Trichoderma species as bioprotective treatments against LWD. These species excelled in preliminary assays performed previously under controlled conditions and were applied here in the field by directly adding them to each seed with the sowing. In the first field experiment, Trichoderma longibrachiatum successfully rescued the plants’ growth indices (weight and height) compared to T. asperelloides and the non-treated control. However, it had no positive effect on yield and disease progression. In the subsequent season, this Trichoderma species was tested against T. asperellum, an endophyte isolated from susceptible maize cultivar. This experiment was conducted during a rainy autumn season, which probably led to a weak disease burst. Under these conditions, the plants in all treatment groups were vivid and had similar growth progression and yields. Nevertheless, a close symptoms inspection revealed that the T. longibrachiatum treatment resulted in a two-fold reduction in the lower stem symptoms and a 1.4-fold reduction in the cob symptoms at the end of the seasons. T. asperellum achieved 1.6- and 1.3-fold improvement in these parameters, respectively. Quantitative Real-time PCR tracking of the pathogen in the host plants’ first internode supported the symptoms’ evaluation, with 3.1- and 4.9-fold lower M. maydis DNA levels in the two Trichoderma treatments. In order to induce LWD under the autumn’s less favorable conditions, some of the plots in each treatment were inoculated additionally, 20 days after sowing, by stabbing the lower stem section near the ground with a wooden toothpick dipped in M. maydis mycelia. This infection method overrides the Trichoderma roots protection and almost abolishes the biocontrol treatments’ protective achievements. This study suggests a biological Trichoderma-based protective layer that may have significant value in mild cases of LWD.
The Effects of Land Use on Concentrations of Nutrients and Selected Metals in Bottom Sediments and the Risk Assessment for Rivers of the Warta River Catchment, Poland
Authors: Fiedler Michał
Published: June 2021

Changes in the environment, aiming at agricultural intensification, progressive urbanisation and other forms of anthropopression, may cause an increase in soil erosion and a resulting increase in the pollution inflow to surface water. At the same time, this results in increased nutrient pollution of bottom sediments. In this study, the concentrations of total nitrogen (TN), total phosphorus (TP), total organic carbon (TOC), calcium (Ca), iron (Fe) and potassium (K) were analysed using bottom sediment samples collected at 39 sites located along the entire length of the Warta River and its tributaries. Agricultural use of land adjacent to rivers was found to significantly degrade sediment quality, while anthropogenic land use (as defined by Corine Land Cover classification—CLC), unlike previous studies, reduces the pollution loads in the bottom sediments. Forest use also contributes to the reduction of the pollution load in sediments. It was found that the significance of the relationship between pollutant concentrations and land use depends on the length of the river–land interface. According to the analyses, the level of correlation between the analysed constituents depends on the use of land adjacent to rivers. The impact of agricultural land use has the strongest effect in the 1 km zone and 5 km in the case of anthropogenic land use. The results showed that the variability of total phosphorus TP concentrations is strongly correlated with the variability of iron concentrations. SPI values indicate that the risk to sediment quality is low due to TOC and Fe concentrations. In contrast, the risk of sediment pollution by TN and TP shows greater differentiation. Although the risk is negligible for 40% of the samples, at the same time, for 33% of the samples, a very high risk of pollution with both TN and TP was found.
2-Cyclopropyl-6-phenyl-2,3-dihydrothieno[3,2-d][1,3,2]diazaborinin-4(1H)-one
Authors: Mustière Romain , Vanelle Patrice , Primas Nicolas
Published: June 2021

As part of our ongoing scaffold hopping work on antimalarial 2-aminothieno[3,2-d]pyrimidin-4-one scaffold, we explored the dihydrothieno[3,2-d][1,3,2]diazaborinin-4(1H)-one as a potential new antimalarial series. Using conditions found in the literature, we obtained 2-cyclopropyl-6-phenyl-2,3-dihydrothieno[3,2-d][1,3,2]diazaborinin-4(1H)-one with 93% yield through a simple treatment. It was then characterized by NMR (1H and 13C) and HRMS. Given the structure of this molecule, its aqueous stability was assessed to determine its suitability for biological tests. To our knowledge, this is the first dihydrothieno[3,2-d][1,3,2]diazaborinin-4(1H)-one described.
1,2-Bis(4-(1,3-dioxolan-2-yl)phenyl)diazene Oxide
Authors: Spesivaya Ekaterina S. , Lupanova Ida A. , Konshina Dzhamilya N. , Konshin Valery V.
Published: June 2021

A simple approach to synthesizing 1,2-bis(4-(1,3-dioxolan-2-yl)phenyl)diazene oxide was developed in this study, based on glucose as an eco-friendly reductant.
Correction: Ghanei et al. Effect of Nano-CuO on Engineering and Microstructure Properties of Fibre-Reinforced Mortars Incorporating Metakaolin: Experimental and Numerical Studies. Materials 2017, 10, 1215
Authors: Ghanei Amir , Jafari Faezeh , Khotbehsara Mojdeh Mehrinejad , Mohseni Ehsan , Tang Waiching , Cui Hongzhi
Published: June 2021

The authors regret that Figures 6 and 11b in [...]
Fluorescent Protein-Based Autophagy Biosensors
Authors: Kim Heejung , Seong Jihye
Published: June 2021

Autophagy is an essential cellular process of self-degradation for dysfunctional or unnecessary cytosolic constituents and organelles. Dysregulation of autophagy is thus involved in various diseases such as neurodegenerative diseases. To investigate the complex process of autophagy, various biochemical, chemical assays, and imaging methods have been developed. Here we introduce various methods to study autophagy, in particular focusing on the review of designs, principles, and limitations of the fluorescent protein (FP)-based autophagy biosensors. Different physicochemical properties of FPs, such as pH-sensitivity, stability, brightness, spectral profile, and fluorescence resonance energy transfer (FRET), are considered to design autophagy biosensors. These FP-based biosensors allow for sensitive detection and real-time monitoring of autophagy progression in live cells with high spatiotemporal resolution. We also discuss future directions utilizing an optobiochemical strategy to investigate the in-depth mechanisms of autophagy. These cutting-edge technologies will further help us to develop the treatment strategies of autophagy-related diseases.
Surface Roughness Evaluation in Thin EN AW-6086-T6 Alloy Plates after Face Milling Process with Different Strategies
Authors: Chuchala Daniel , Dobrzynski Michal , Pimenov Danil Yurievich , Orlowski Kazimierz A. , Krolczyk Grzegorz , Giasin Khaled
Published: June 2021

Lightweight alloys made from aluminium are used to manufacture cars, trains and planes. The main parts most often manufactured from thin sheets requiring the use of milling in the manufacturing process are front panels for control systems, housing parts for electrical and electronic components. As a result of the final phase of the manufacturing process, cold rolling, residual stresses remain in the surface layers, which can influence the cutting processes carried out on these materials. The main aim of this study was to verify whether the strategy of removing the outer material layers of aluminium alloy sheets affects the surface roughness after the face milling process. EN AW-6082-T6 aluminium alloy thin plates with three different thicknesses and with two directions relative to the cold rolling process direction (longitudinal and transverse) were analysed. Three different strategies for removing the outer layers of the material by face milling were considered. Noticeable differences in surface roughness 2D and 3D parameters were found among all machining strategies and for both rolling directions, but these differences were not statistically significant. The lowest values of Ra = 0.34 µm were measured for the S#3 strategy, which asymmetrically removed material from both sides of the plate (main and back), for an 8-mm-thick plate in the transverse rolling direction. The highest values of Ra = 0.48 µm were measured for a 6-mm-thick plate milled with the S#2 strategy, which symmetrically removed material from both sides of the plate, in the longitudinal rolling direction. However, the position of the face cutter axis during the machining process was observed to have a significant effect on the surface roughness. A higher surface roughness was measured in the areas of the tool point transition from the up-milling direction to the down-milling direction (tool axis path) for all analysed strategies (Ra = 0.63–0.68 µm). The best values were obtained for the up-milling direction, but in the area of the smooth execution of the process (Ra = 0.26–0.29 µm), not in the area of the blade entry into the material. A similar relationship was obtained for analysed medians of the arithmetic mean height (Sa) and the root-mean-square height (Sq). However, in the case of the S#3 strategy, the spreads of results were the lowest.
Near-Infrared Emissive Cyanido-Bridged {YbFe2} Molecular Nanomagnets Sensitive to the Nitrile Solvents of Crystallization
Authors: Liberka Michal , Boidachenko Kseniia , Zakrzewski Jakub J. , Zychowicz Mikolaj , Wang Junhao , Ohkoshi Shin-ichi , Chorazy Szymon
Published: June 2021

One of the pathways toward luminescent single-molecule magnets (SMMs) is realized by the self-assembly of lanthanide(3+) ions with cyanido transition metal complexes. We report a novel family of emissive SMMs, {YbIII(4-pyridone)4[FeII(phen)2(CN)2]2}(CF3SO3)3·solv (solv = 2MeCN, 1·MeCN; 2AcrCN, 1·AcrCN; 2PrCN, 1·PrCN; 2MalCN·1MeOH; 1·MalCN; MeCN = acetonitrile, AcrCN = acrylonitrile, PrCN = propionitrile, MalCN = malononitrile). They are based on paramagnetic YbIII centers coordinating diamagnetic [FeII(phen)2(CN)2] metalloligands but differ in the nitrile solvents of crystallization. They exhibit a field-induced slow magnetic relaxation dominated by a Raman process, without an Orbach relaxation as indicated by AC magnetic data and the ab initio calculations. The Raman relaxation is solvent-dependent as represented by the power “n” of the BRamanTn contribution varying from 3.07(1), to 2.61(1), 2.37(1), and 1.68(4) for 1·MeCN, 1·PrCN, 1·AcrCN, and 1·MalCN, respectively, while the BRaman parameter adopts the opposite trend. This was correlated with the variation of phonon modes schemes, including the number of available vibrational modes and their energies, dependent on the increasing complexity of the applied nitrile. 1·MeCN and 1·MalCN show the additional T-independent relaxation assignable to dipole-dipole interactions as confirmed by its suppression in 1·AcrCN and 1·PrCN revealing longer Yb–Yb distances and the disappearance in the LuIII-diluted 1·MeCN@Lu. All compounds exhibit YbIII–centered near-infrared photoluminescence sensitized by organic ligands.
An Investigation of a (Vinylbenzyl) Trimethylammonium and N-Vinylimidazole-Substituted Poly (Vinylidene Fluoride-Co-Hexafluoropropylene) Copolymer as an Anion-Exchange Membrane in a Lignin-Oxidising Electrolyser
Authors: McHugh Patrick J. , Das Arindam K. , Wallace Alexander G. , Kulshrestha Vaibhav , Shahi Vinod K. , Symes Mark D.
Published: June 2021

Electrolysis is seen as a promising route for the production of hydrogen from water, as part of a move to a wider “hydrogen economy”. The electro-oxidation of renewable feedstocks offers an alternative anode couple to the (high-overpotential) electrochemical oxygen evolution reaction for developing low-voltage electrolysers. Meanwhile, the exploration of new membrane materials is also important in order to try and reduce the capital costs of electrolysers. In this work, we synthesise and characterise a previously unreported anion-exchange membrane consisting of a fluorinated polymer backbone grafted with imidazole and trimethylammonium units as the ion-conducting moieties. We then investigate the use of this membrane in a lignin-oxidising electrolyser. The new membrane performs comparably to a commercially-available anion-exchange membrane (Fumapem) for this purpose over short timescales (delivering current densities of 4.4 mA cm−2 for lignin oxidation at a cell potential of 1.2 V at 70 °C during linear sweep voltammetry), but membrane durability was found to be a significant issue over extended testing durations. This work therefore suggests that membranes of the sort described herein might be usefully employed for lignin electrolysis applications if their robustness can be improved.
Arbuscular Mycorrhizal Fungi Increase Pb Uptake of Colonized and Non-Colonized Medicago truncatula Root and Deliver Extra Pb to Colonized Root Segment
Authors: Zhang Haoqiang , Ren Wei , Zheng Yaru , Li Yanpeng , Zhu Manzhe , Tang Ming
Published: June 2021

Arbuscular mycorrhizal (AM) fungi establish symbiosis and improve the lead (Pb) tolerance of host plants. The AM plants accumulate more Pb in roots than their non-mycorrhizal counterparts. However, the direct and long-term impact of AM fungi on plant Pb uptake has been rarely reported. In this study, AM fungus (Rhizophagus irregularis) colonized and non-colonized roots of Medicago truncatula were separated by a split-root system, and their differences in responding to Pb application were compared. The shoot biomass accumulation and transpiration were increased after R. irregularis inoculation, whereas the biomass of both colonized and non-colonized roots was decreased. Lead application in the non-colonized root compartment increased the R. irregularis colonization rate and up-regulated the relative expressions of MtPT4 and MtBCP1 in the colonized root compartments. Rhizophagus irregularis inoculation increased Pb uptake in both colonized and non-colonized roots, and R. irregularis transferred Pb to the colonized root segment. The Pb transferred through the colonized root segment had low mobility and might be sequestrated and compartmented in the root by R. irregularis. The Pb uptake of roots might follow water flow, which is facilitated by MtPIP2. The quantification of Pb transfer via the mycorrhizal pathway and the involvement of MtPIP2 deserve further study.
Evaluating the Removal of the Antibiotic Cephalexin from Aqueous Solutions Using an Adsorbent Obtained from Palm Oil Fiber
Authors: Acelas Nancy , Lopera Sandra M. , Porras Jazmín , Torres-Palma Ricardo A.
Published: June 2021

This study aimed to understand the adsorption process of cephalexin (CPX) from aqueous solution by a biochar produced from the fiber residue of palm oil. Scanning electron microscopy, Fourier transform infrared spectroscopy, Boehm titration, and the point of zero charge were used to characterize the morphology and surface functional groups of the adsorbent. Batch tests were carried out to evaluate the effects of the solution pH, temperature, and antibiotic structure. The adsorption behavior followed the Langmuir model and pseudo-second-order model with a maximum CPX adsorption capacity of 57.47 mg g−1. Tests on the thermodynamic behavior suggested that chemisorption occurs with an activation energy of 91.6 kJ mol−1 through a spontaneous endothermic process. Electrostatic interactions and hydrogen bonding represent the most likely adsorption mechanisms, although π–π interactions also appear to contribute. Finally, the CPX removal efficiency of the adsorbent was evaluated for synthetic matrices of municipal wastewater and urine. Promising results were obtained, indicating that this adsorbent can potentially be applied to purifying wastewater that contains trace antibiotics.
The Stool Volatile Metabolome of Pre-Term Babies
Authors: Frau Alessandra , Lett Lauren , Slater Rachael , Young Gregory R. , Stewart Christopher J. , Berrington Janet , Hughes David M. , Embleton Nicholas , Probert Chris
Published: June 2021

The fecal metabolome in early life has seldom been studied. We investigated its evolution in pre-term babies during their first weeks of life. Multiple (n = 152) stool samples were studied from 51 babies, all <32 weeks gestation. Volatile organic compounds (VOCs) were analyzed by headspace solid phase microextraction gas chromatography mass spectrometry. Data were interpreted using Automated Mass Spectral Deconvolution System (AMDIS) with the National Institute of Standards and Technology (NIST) reference library. Statistical analysis was based on linear mixed modelling, the number of VOCs increased over time; a rise was mainly observed between day 5 and day 10. The shift at day 5 was associated with products of branched-chain fatty acids. Prior to this, the metabolome was dominated by aldehydes and acetic acid. Caesarean delivery showed a modest association with molecules of fungal origin. This study shows how the metabolome changes in early life in pre-term babies. The shift in the metabolome 5 days after delivery coincides with the establishment of enteral feeding and the transition from meconium to feces. Great diversity of metabolites was associated with being fed greater volumes of milk.
In Situ Decarboxylation-Pressurized Hot Water Extraction for Selective Extraction of Cannabinoids from Cannabis sativa. Chemometric Approach
Authors: Nuapia Yannick , Maraba Kgomotso , Tutu Hlanganani , Chimuka Luke , Cukrowska Ewa
Published: June 2021

Isolation of the therapeutic cannabinoid compounds from Cannabis Sativa L. (C. Sativa) is important for the development of cannabis-based pharmaceuticals for cancer treatment, among other ailments. The main pharmacological cannabinoids are THC and CBD. However, THC also induces undesirable psychoactive effects. The decarboxylation process converts the naturally occurring acidic forms of cannabinoids, such as cannabidiolic acid (CBDA) and tetrahydrocannabinolic acid (THCA), to their more active neutral forms, known as cannabidiol (CBD) and tetrahydrocannabinol (THC). The purpose of this study was to selectively extract cannabinoids using a novel in situ decarboxylation pressurized hot water extraction (PHWE) system. The decarboxylation step was evaluated at different temperature (80–150 °C) and time (5–60 min) settings to obtain the optimal conditions for the decarboxylation-PHWE system using response surface methodology (RSM). The system was optimized to produce cannabis extracts with high CBD content, while suppressing the THC and CBN content. The identification and quantification of cannabinoid compounds were determined using UHPLC-MS/MS with external calibration. As a result, the RSM has shown good predictive capability with a p-value < 0.05, and the chosen parameters revealed to have a significant effect on the CBD, CBN and THC content. The optimal decarboxylation conditions for an extract richer in CBD than THC were set at 149.9 °C and 42 min as decarboxylation temperature and decarboxylation time, respectively. The extraction recoveries ranged between 96.56 and 103.42%, 95.22 and 99.95%, 99.62 and 99.81% for CBD, CBN and THC, respectively.
The Physicochemical Characteristics of Gelam Honey and Its Outcome on the Female Reproductive Tissue of Sprague–Dawley Rats: A Preliminary Study
Authors: Ismail Nur Hilwani , Osman Khairul , Zulkefli Aini Farzana , Mokhtar Mohd Helmy , Ibrahim Siti Fatimah
Published: June 2021

Gelam honey (GH) is a prized natural product synthesized from the nectar of flowers from Gelam trees (Melaleuca sp.). Gelam is an evergreen tree species that grows in tropical regions such as Malaysia. GH is a multifloral honey with proven antioxidant and anti-inflammatory properties. However, the beneficial effect of GH on female reproductive tissue has yet to be substantiated. Herein, we investigated the effects of GH administration on the uterine and vaginal epithelial thickness of sexually mature Sprague–Dawley rats. Epithelia thickness could be an indicator of an atrophy manifesting as a symptom of a cardio syndrome. Rats were given oral doses of GH in four groups for 14 days; the lowest dose was 0.2 g GH/kg body weight (bw) rat/day and the highest dose was 8 g GH/kg bw rat/day. The physicochemical characteristics of GH were assessed through hydroxymethylfurfural and moisture content determination and sugar identification. GH attenuated the atrophy of the uterine and vaginal epithelia and increased the thickness of the endometrial stroma and endometrial surface endothelial layer. However, the dissonance observed in the effect of GH administration on the vaginal epithelium requires further investigation. Nevertheless, GH may have a strong potential in attenuating uterine and vaginal atrophies.
Multiphase Flow Regime Characterization and Liquid Flow Measurement Using Low-Field Magnetic Resonance Imaging
Authors: Tromp Rutger R. , Cerioni Lucas M. C.
Published: June 2021

Multiphase flow metering with operationally robust, low-cost real-time systems that provide accuracy across a broad range of produced volumes and fluid properties, is a requirement across a range of process industries, particularly those concerning petroleum. Especially the wide variety of multiphase flow profiles that can be encountered in the field provides challenges in terms of metering accuracy. Recently, low-field magnetic resonance (MR) measurement technology has been introduced as a feasible solution for the petroleum industry. In this work, we study two phase air-water horizontal flows using MR technology. We show that low-field MR technology applied to multiphase flow has the capability to measure the instantaneous liquid holdup and liquid flow velocity using a constant gradient low flip angle CPMG (LFA-CPMG) pulse sequence. LFA-CPMG allows representative sampling of the correlations between liquid holdup and liquid flow velocity, which allows multiphase flow profiles to be characterized. Flow measurements based on this method allow liquid flow rate determination with an accuracy that is independent of the multiphase flow profile observed in horizontal pipe flow for a wide dynamic range in terms of the average gas and liquid flow rates.
Gossypitrin, A Naturally Occurring Flavonoid, Attenuates Iron-Induced Neuronal and Mitochondrial Damage
Authors: Bécquer-Viart María Ángeles , Armentero-López Adonis , Alvarez-Almiñaque Daniel , Fernández-Acosta Roberto , Matos-Peralta Yasser , D’Vries Richard F. , Marín-Prida Javier , Pardo-Andreu Gilberto L.
Published: June 2021

The disruption of iron homeostasis is an important factor in the loss of mitochondrial function in neural cells, leading to neurodegeneration. Here, we assessed the protective action of gossypitrin (Gos), a naturally occurring flavonoid, on iron-induced neuronal cell damage using mouse hippocampal HT-22 cells and mitochondria isolated from rat brains. Gos was able to rescue HT22 cells from the damage induced by 100 µM Fe(II)-citrate (EC50 8.6 µM). This protection was linked to the prevention of both iron-induced mitochondrial membrane potential dissipation and ATP depletion. In isolated mitochondria, Gos (50 µM) elicited an almost complete protection against iron-induced mitochondrial swelling, the loss of mitochondrial transmembrane potential and ATP depletion. Gos also prevented Fe(II)-citrate-induced mitochondrial lipid peroxidation with an IC50 value (12.45 µM) that was about nine time lower than that for the tert-butylhydroperoxide-induced oxidation. Furthermore, the flavonoid was effective in inhibiting the degradation of both 15 and 1.5 mM 2-deoxyribose. It also decreased Fe(II) concentration with time, while increasing O2 consumption rate, and impairing the reduction of Fe(III) by ascorbate. Gos–Fe(II) complexes were detected by UV-VIS and IR spectroscopies, with an apparent Gos-iron stoichiometry of 2:1. Results suggest that Gos does not generally act as a classical antioxidant, but it directly affects iron, by maintaining it in its ferric form after stimulating Fe(II) oxidation. Metal ions would therefore be unable to participate in a Fenton-type reaction and the lipid peroxidation propagation phase. Hence, Gos could be used to treat neuronal diseases associated with iron-induced oxidative stress and mitochondrial damage.
CuI-Catalyzed Coupling Reactions of 4-Iodopyrazoles and Alcohols: Application toward Withasomnine and Homologs
Authors: Usami Yoshihide , Kubo Yumika , Takagaki Toshiki , Kuroiwa Nao , Ono Jun , Nishikawa Kohei , Nakamizu Ayaka , Tatsui Yuya , Harusawa Shinya , Hayama Noboru , Yoneyama Hiroki
Published: June 2021

The direct 4-alkoxylation of 4-iodo-1H-pyrazoles with alcohols was achieved by a CuI-catalyzed coupling protocol. The optimal reaction conditions employed excess alcohol and potassium t-butoxide (2 equiv) in the presence of CuI (20 mol%) and 3,4,7,8-tetramethyl-1,10-phenanthroline (20 mol%) at 130 °C for 1 h under microwave irradiation. The present method was efficiently applied to the synthesis of withasomnine and its six- and seven-membered cyclic homologs.
A Case Study of the Response of Immunogenic Gluten Peptides to Sourdough Proteolysis
Authors: Ogilvie Olivia J. , Gerrard Juliet A. , Roberts Sarah , Sutton Kevin H. , Larsen Nigel , Domigan Laura J.
Published: June 2021

Celiac disease is activated by digestion-resistant gluten peptides that contain immunogenic epitopes. Sourdough fermentation is a potential strategy to reduce the concentration of these peptides within food. However, we currently know little about the effect of partial sourdough fermentation on immunogenic gluten. This study examined the effect of a single sourdough culture (representative of those that the public may consume) on the digestion of immunogenic gluten peptides. Sourdough bread was digested via the INFOGEST protocol. Throughout digestion, quantitative and discovery mass spectrometry were used to model the kinetic release profile of key immunogenic peptides and profile novel peptides, while ELISA probed the gluten’s allergenicity. Macrostructural studies were also undertaken. Sourdough fermentation altered the protein structure, in vitro digestibility, and immunogenic peptide release profile. Interestingly, sourdough fermentation did not decrease the total immunogenic peptide concentration but altered the in vitro digestion profile of select immunogenic peptides. This work demonstrates that partial sourdough fermentation can alter immunogenic gluten digestion, and is the first study to examine the in vitro kinetic profile of immunogenic gluten peptides from sourdough bread.
Energy Metabolism and Diet
Authors: Nieuwenhuizen Arie G. , van Schothorst Evert M.
Published: June 2021

Energy metabolism at whole body and cellular, and even organelle (i [...]
Serological Survey of Leptospira Infection in Arabian Horses in Poland
Authors: Wasiński Bernard , Paschalis-Trela Katarzyna , Trela Jan , Czopowicz Michał , Kita Jerzy , Żychska Monika , Cywińska Anna , Markowska-Daniel Iwona , Carter Craig , Witkowski Lucjan
Published: June 2021

Leptospirosis is one of the most common zoonotic infections worldwide, including in most livestock, some companion animals, horses, wildlife, and humans. Epidemiological estimation of its prevalence in all species is difficult due to the variety of clinical presentations and challenges regarding laboratory diagnosis. The purpose of this study was to measure the seroprevalence of leptospiral infection in Arabian horses kept in the largest breeding farms in Poland, representing over 15% of the Polish Arabian horse population. Leptospira antibodies were detected by MAT (cut-off 1:100) in 33.2% of serum samples (204 of 615 animals) (CI 95%: 29.6–37.0%), most frequently reacting with the serovar Grippotyphosa, similar to previous reports in populations of randomly selected horses. These results indicated high Leptospira seropositivity, thus, although any form of clinical leptospirosis is rare, it may be postulated that the leptospiral exposure is widespread.