bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Hydroperoxide‐Mediated Decarboxylation of α‐Ketoacids Enables the Chemoselective Acylation of Amines
Authors: Nanjo Takeshi , Kato Natsuki , Zhang Xuan , Takemoto Yoshiji 
Published: October 2019

AbstractStrategies for the formation of amide bonds, that is, one of the most basic and important transformations in organic synthesis, have so far focused predominantly on dehydration reactions. Herein, we report and demonstrate the practical utility of a novel decarboxylative amidation of α‐ketoacids by using inexpensive tert‐butyl hydroperoxide (TBHP), which is characterized by high yields, a broad substrate scope, mild reaction conditions, and a unique chemoselectivity. These features enable the synthesis of peptides from amino acid derived α‐ketoacids under preservation of the stereochemical information.
Tomographische Untersuchung der Fluiddynamik viskoser Systeme in Packungskolonnen
Authors: Bolenz Lukas , Fischer Florian , Toye Dominique , Kenig Eugeny Y. 
Published: October 2019

AbstractDie Fluiddynamik in strukturierten Packungen wird anhand von Röntgentomographie untersucht. Dabei liegt der Fokus auf dem Einfluss der Viskosität der flüssigen Phase, die zwischen 5 und 50 mPa s variiert wird. Filmströmung ist die dominierende Strömungsform, aber es treten auch Flüssigkeitszwickel an den Kontaktstellen benachbarter Packungsbleche auf. Die Anteile der beiden Strömungsformen am Holdup werden quantifiziert und das mittlere Oberfläche‐zu‐Volumen‐Verhältnis wird bestimmt. Außerdem erfolgt eine Untersuchung des Benetzungsgrads der Packung bei verschiedenen Viskositäten und Flüssigkeitsbelastungen.
Chronic administration of Cl‐amidine, a pan‐peptidylarginine deiminase inhibitor, does not reverse bone loss in two different murine models of osteoporosis
Authors: Vargas‐Muñoz Virginia M. , Martínez‐Martínez Arisai , Muñoz‐Islas Enriqueta , Ramírez‐Rosas Martha B. , Acosta‐González Rosa I. , Jiménez‐Andrade Juan M. 
Published: October 2019

AbstractRecent in vitro studies have shown a role for the peptidyl‐arginine deiminases (PADs) in bone resorption. However, it is unknown whether these enzymes are involved in bone loss in vivo. Thus, we evaluated the antiresorptive effect of a pan‐PAD inhibitor in two murine models of osteoporosis: (a) primary osteoporosis induced by ovariectomy (OVX); and (b) secondary osteoporosis associated to Type‐1 diabetes induced by streptozotocin (STZ, 50 mg/kg, i.p., five daily administrations). Five weeks after OVX and 15 weeks after injections of STZ, mice received daily administrations of Cl‐amidine (3 or 10 mg/kg, i.p.) or vehicle for 30 consecutive days. At the end of the treatment, femur and vertebra were harvested for microCT analysis. Blood samples were collected for determination of antibodies against cyclic citrullinated peptides (anti‐CCP) by enzyme‐linked immunosorbent assay. Serum levels of anti‐CCP antibodies from diabetic mice were not significantly different compared to control mice. However, a significant loss of both trabecular bone at the femoral neck and cortical bone at the femoral diaphysis was found in diabetic mice, and Cl‐amidine did not reverse the diabetes‐induced bone loss. Mice with OVX had significantly lower serum levels of anti‐CCP compared to mice with sham surgery. OVX resulted in significant loss of both trabecular bone at the L5 vertebra and distal femoral metaphysis. Cl‐amidine did not block the OVX‐induced bone loss. Our results suggest that chronic treatment with Cl‐amidine at the doses and period of time administered is not long enough to inhibit bone loss in two different murine models of osteoporosis.
Evaluating intraspecific genetic diversity using environmental DNA and denoising approach: A case study using tank water
Authors: Tsuji Satsuki , Miya Masaki , Ushio Masayuki , Sato Hirotoshi , Minamoto Toshifumi , Yamanaka Hiroki 
Published: October 2019

AbstractRecent advances in environmental DNA (eDNA) analysis using high‐throughput sequencing (HTS) provide a noninvasive way to evaluate the intraspecific genetic diversity of aquatic macroorganisms. However, erroneous sequences present in HTS data can result in false positive haplotypes; therefore, reliable strategies are necessary to eliminate such erroneous sequences when evaluating intraspecific genetic diversity using eDNA metabarcoding. In this study, we propose an approach combining denoising using amplicon sequence variant (ASV) method and the removal of haplotypes with low detection rates. A mixture of rearing water of Ayu (Plecoglossus altivelis altivelis) was used as an eDNA sample. In total, nine haplotypes of Ayu mitochondrial D‐loop region were contained in the sample and amplified by two‐step tailed PCR. The 15 PCR replicates indexed with different tags were prepared from the eDNA sample to compare the detection rates between true haplotypes and false positive haplotypes. All PCR replications were sequenced by HTS, and the total number of detected true haplotypes and false positive haplotypes was compared with and without denoising using the two types of ASV methods, Divisive Amplicon Denoising Algorithm 2 (DADA2) and UNOISE3. The use of both ASV methods considerably reduced the number of false positive haplotypes. Moreover, all true haplotypes were detected in all 15 PCR replicates, whereas false positive haplotypes had detection rates varying from 1/15 to 15/15. Thus, by removing haplotypes with lower detection rates than 15/15, the number of false positive haplotypes was further reduced. The approach proposed in this study successfully eliminated most of the false positive haplotypes in the HTS data obtained from eDNA samples, which allowed us to improve the detection accuracy for evaluating intraspecific genetic diversity using eDNA analysis.
Influence of water soaking on swelling and microcharacteristics of coal
Authors: Wen Guangcai , Yang Shuo , Liu Yanbao , Wu Wenbin , Sun Dongling , Wang Kai 
Published: October 2019

AbstractImproving the coal seam permeability is an important measure for increasing the coal bed methane (CBM) production and preventing gas disasters. Hydraulic technologies are effective ways of improving coal seam permeability. However, hydraulic technologies can also cause water to enter the coal seam, allowing the coal seam to soak for a long time. In this study, to obtain the influence of water soaking on the microscopic characteristics of coal, X‐ray diffraction (XRD), scanning electron microscopy (SEM), free swelling ratio tests, and low‐temperature nitrogen adsorption tests (LT‐NATs) were conducted. The mineral compositions of raw coal samples, the variation regularities of micromorphologies, and pore characteristics of the samples with different soaking times were obtained. The results showed that the coal samples contained about 8.5% clay minerals, of which 71% were illite/smectite mixed‐layer. Expansions of different sizes in the areas where the surface of the soaked coal samples contained clay minerals were observed, and the swelling was also observed macroscopically. The swelling not only led to an increase in the coal sample volume but also led to a decrease in pore volume. This change was magnified with the increase in soaking time (within 30 days). The cumulative pore volume of the samples soaked for 30 days was 0.00681 cm3/g. This was a reduction of 29.9% compared to the unsoaked samples. Moreover, the pore volumes show a logarithmic dependence on soaking time. This study provides evidence that the coal containing clay minerals will swell obviously when soaked in water, and the hydration swelling of clay minerals has a great influence on the swelling of coal. This swelling would lead to a decrease in the pore volume and the efficiency of CBM transport, thus affecting the effect of hydraulic measures.
Proposed Indoor Test Procedure to Quantify Pesticide Treatment Effects on Seed Consumption by Birds
Authors: Esther Alexandra , von Blanckenhagen Felix , der Heiden Angela an , Dürger Joanna , Kozyczkowska-Kneffel Dominika , Ludwigs Jan-Dieter , Sadowski Jan , Shadid Maisam , Gabriel Doreen 
Published: October 2019

Abstract
Pesticides used in seed coatings can influence seed consumption by birds and, therefore, actual exposure risk for them. A quantification of such effects on consumption is currently not regarded as a refinement factor in environmental risk assessments, although it is a possible option and should be considered, for example, for comparing exposure risk of different pesticides. It can highlight avoidance behavior, preventing birds from taking up lethal or sublethal pesticide doses. To formulate a standard, we developed an indoor test procedure based on established pen test methods, including 2- and no-choice phases with hunger periods. During testing, the highest standards of animal welfare were applied. Statistical approaches were used to determine the most appropriate number of replicates and for analysis. The effect on consumption of seeds is expressed as the ratio of consumed treated to untreated seeds. This consumption factor can be applied in avian risk assessments for seed treatments equivalent to an avoidance factor. We present, as an example, an application of the procedure to obtain a seed- and species-specific consumption factor for oilseed rape seeds (Brassica napus) provided untreated and treated with fungicides to greenfinches (Carduelis chloris) and Japanese quail (Coturnix japonica). Overall, bird constitution was not negatively affected by the test procedure in either species. The test procedure was suitable for showing differences in expected consumption patterns, such as greater avoidance of treated seeds in 2-choice than in no-choice tests. However, the consumption differed between species and fungicide treatments, allowing us to rank avoidance effects of different fungicides. Using the presented standard procedure to generate comparable pesticide- and species-specific consumption factors for more species and seed treatments may result in refinement of default values and reduce animal trials in different designs in the future. Environ Toxicol Chem 2020;39:359–370. © 2019 The Authors. Environmental Toxicology and Chemistry published by Wiley Periodicals, Inc. on behalf of SETAC.
N‐space collision model for rotation‐translation energy exchange in DSMC collisions
Authors: Macrossan M. N. 
Published: October 2019

SummaryA new discrete simulation Monte Carlo (DSMC) collision model for molecules possessing an integer number of classical degrees of freedom for molecular structure energy is proposed. The total molecular energy (translation plus molecular structure) is represented by a velocity in five‐dimensional space. Each collision is an elasticN‐sphere collision inN‐space, whereN= 3, 4, or 5. ForN=5, there is a maximum chance of exchange of energy between the two components of velocity, which represent the rotation energy and the three components that represent the translational velocity. ForN=3, there is no change in the rotation energy of each molecule, and forN=4, there is an intermediate chance that rotation and translation energy will be exchanged. The exchange probabilityϕcan be set to give the desired rotational relaxation rate. To achieve any realistic viscosityμ(T), theN‐space model must be coupled with a modified collision procedure known asν‐DSMC. The new model is shown to match the results of molecular dynamics calculations for the internal structure of a Mach 7 shock, with a saving of about 20% in CPU time compared to standard DSMC using the standard Borgnakke‐Larsen exchange model.
Heterogeneous fate choice of genetically modulated adult neural stem cells in gray and white matter of the central nervous system
Authors: Beyer Felix , Jadasz Janusz , Samper Agrelo Iria , Schira‐Heinen Jessica , Groh Janos , Manousi Anastasia , Bütermann Christine , Estrada Veronica , Reiche Laura , Cantone Martina , Vera Julio , Viganò Francesca , Dimou Leda , Müller Hans Werner , Hartung Hans‐Peter , Küry Patrick 
Published: October 2019

AbstractApart from dedicated oligodendroglial progenitor cells, adult neural stem cells (aNSCs) can also give rise to new oligodendrocytes in the adult central nervous system (CNS). This process mainly confers myelinating glial cell replacement in pathological situations and can hence contribute to glial heterogeneity. Our previous studies demonstrated that the p57kip2 gene encodes an intrinsic regulator of glial fate acquisition and we here investigated to what degree its modulation can affect stem cell‐dependent oligodendrogenesis in different CNS environments. We therefore transplanted p57kip2 knockdown aNSCs into white and gray matter (WM and GM) regions of the mouse brain, into uninjured spinal cords as well as in the vicinity of spinal cord injuries and evaluated integration and differentiation in vivo. Our experiments revealed that under healthy conditions intrinsic suppression of p57kip2 as well as WM localization promote differentiation toward myelinating oligodendrocytes at the expense of astrocyte generation. Moreover, p57kip2 knockdown conferred a strong benefit on cell survival augmenting net oligodendrocyte generation. In the vicinity of hemisectioned spinal cords, the gene knockdown led to a similar induction of oligodendroglial features; however, newly generated oligodendrocytes appeared to suffer more from the hostile environment. This study contributes to our understanding of mechanisms of adult oligodendrogenesis and glial heterogeneity and further reveals critical factors when considering aNSC mediated cell replacement in injury and disease.
Functional outcome is tied to dynamic brain states after mild to moderate traumatic brain injury
Authors: van der Horn Harm J. , Vergara Victor M. , Espinoza Flor A. , Calhoun Vince D. , Mayer Andrew R. , van der Naalt Joukje 
Published: October 2019

AbstractThe current study set out to investigate the dynamic functional connectome in relation to long‐term recovery after mild to moderate traumatic brain injury (TBI). Longitudinal resting‐state functional MRI data were collected (at 1 and 3 months postinjury) from a prospectively enrolled cohort consisting of 68 patients with TBI (92% mild TBI) and 20 healthy subjects. Patients underwent a neuropsychological assessment at 3 months postinjury. Outcome was measured using the Glasgow Outcome Scale Extended (GOS‐E) at 6 months postinjury. The 57 patients who completed the GOS‐E were classified as recovered completely (GOS‐E = 8; n = 37) or incompletely (GOS‐E < 8; n = 20). Neuropsychological test scores were similar for all groups. Patients with incomplete recovery spent less time in a segregated brain state compared to recovered patients during the second visit. Also, these patients moved less frequently from one meta‐state to another as compared to healthy controls and recovered patients. Furthermore, incomplete recovery was associated with disruptions in cyclic state transition patterns, called attractors, during both visits. This study demonstrates that poor long‐term functional recovery is associated with alterations in dynamics between brain networks, which becomes more marked as a function of time. These results could be related to psychological processes rather than injury‐effects, which is an interesting area for further work. Another natural progression of the current study is to examine whether these dynamic measures can be used to monitor treatment effects.
Radiation‐induced nausea and vomiting in head and neck cancer: Is it something worth considering in the intensity modulated radiotherapy era? “A narrative review”
Authors: Paiar Fabiola , Cristaudo Agostino , Gonnelli Alessandra , Giannini Noemi , Cocuzza Paola , Montrone Sabrina , Bruschini Luca , Pasqualetti Francesco , Ursino Stefano , Bonomo Pierluigi 
Published: October 2019

AbstractRadiation therapy is one of the cornerstones in the treatment of head and neck squamous cell carcinomas (HNSCC), alone or in combination with chemotherapy or surgery. Technological advances which occurred over the last few decades have increased the efficacy of radiotherapy (RT), particularly, intensity‐modulated RT (IMRT). IMRT can deliver treatments on complex tumoral targets with dose escalation while sparing organs at risk; anyway IMRT deposits dose in unpredictable patterns outside of the target volume with the purpose of improving conformality. Radiation‐induced nausea and vomiting (RINV) is a frequent albeit neglected side effect of RT that can lead to delays in treatment with serious consequences on cure rates. According to several guidelines (MASCC 2016, NCCN 2018), RT for HNSCC has traditionally been regarded as a low emetic risk treatment. Nevertheless, several works suggest that IMRT could increase RINV. Further studies are needed to define the exact incidence and the detailed pathophysiology of RINV in patients with HNSCC treated with state of art IMRT techniques, with and without concurrent chemotherapy.
Gata3 targets Runx1 in the embryonic haematopoietic stem cell niche
Authors: Fitch Simon R. , Kapeni Chrysa , Tsitsopoulou Aikaterini , Wilson Nicola K. , Göttgens Berthold , de Bruijn Marella F. , Ottersbach Katrin 
Published: October 2019

AbstractRunx1 is an important haematopoietic transcription factor as stressed by its involvement in a number of haematological malignancies. Furthermore, it is a key regulator of the emergence of the first haematopoietic stem cells (HSCs) during development. The transcription factor Gata3 has also been linked to haematological disease and was shown to promote HSC production in the embryo by inducing the secretion of important niche factors. Both proteins are expressed in several different cell types within the aorta‐gonads‐mesonephros (AGM) region, in which the first HSCs are generated; however, a direct interaction between these two key transcription factors in the context of embryonic HSC production has not formally been demonstrated. In this current study, we have detected co‐localisation of Runx1 and Gata3 in rare sub‐aortic mesenchymal cells in the AGM. Furthermore, the expression of Runx1 is reduced in Gata3
−/− embryos, which also display a shift in HSC emergence. Using an AGM‐derived cell line as a model for the stromal microenvironment in the AGM and performing ChIP‐Seq and ChIP‐on‐chip experiments, we demonstrate that Runx1, together with other key niche factors, is a direct target gene of Gata3. In addition, we can pinpoint Gata3 binding to the Runx1 locus at specific enhancer elements which are active in the microenvironment. These results reveal a direct interaction between Gata3 and Runx1 in the niche that supports embryonic HSCs and highlight a dual role for Runx1 in driving the transdifferentiation of haemogenic endothelial cells into HSCs as well as in the stromal cells that support this process.
Cytotoxic effects of thioxanthone derivatives as photoinitiators on isolated rat hepatocytes
Authors: Nakagawa Yoshio , Inomata Akiko , Moriyasu Takako , Suzuki Toshinari 
Published: October 2019

AbstractThioxanthone and its analogues, 2‐ or 4‐isopropylthioxanthone, 2‐chlorothioxanthone, 2,4‐diethylthioxanthone (DETX) and xanthone, are used as photoinitiators of ultraviolet (UV) light‐initiated curable inks. As these photoinitiators were found in numerous food/beverage products packaged in cartons printed with UV‐cured inks, the cytotoxic effects and mechanisms of these compounds were studied in freshly isolated rat hepatocytes. The toxicity of DETX was greater than that of other compounds. DETX elicited not only concentration (0–2.0 mm)‐ and time (0–3 hours)‐dependent cell death accompanied by the depletion of cellular adenosine triphosphate (ATP), and reduced glutathione (GSH) and protein thiol levels, but also the accumulation of GSH disulfide and malondialdehyde. Pretreatment of hepatocytes with either fructose at a concentration of 10 mm or N‐acetyl‐l‐cysteine (NAC) at a concentration of 5.0 mm ameliorated DETX (1 mm)‐induced cytotoxicity. Further, the exposure of hepatocytes to DETX resulted in the induction of reactive oxygen species (ROS) and loss of mitochondrial membrane potential, both of which were partially prevented by the addition of NAC. These results indicate that: (1) DETX‐induced cytotoxicity is linked to mitochondrial failure and depletion of cellular GSH; (2) insufficient cellular ATP levels derived from mitochondrial dysfunction were, at least in part, ameliorated by the addition of fructose; and (3) GSH loss and/or ROS formation was prevented by NAC. Taken collectively, these results suggest that the onset of toxic effects caused by DETX may be partially attributable to cellular energy stress as well as oxidative stress.
Biaxial fatigue crack propagation behavior of ultrahigh molecular weight polyethylene reinforced by carbon nanofibers and hydroxyapatite
Authors: Liu Zhenduo , Wang Jianhai , Gao Hong , Gao Lilan 
Published: October 2019

AbstractUltrahigh molecular weight polyethylene (UHMWPE) artificial joint has remained the preferred polymer component in total joint replacement surgery. However, more and more concerns have been raised about the failure of UHMWPE components due to the initiation and propagation of cracks at the notches with fixed functions. For this reason, biaxial fatigue crack growth (FCG) experiments of UHMWPE reinforced by carbon nanofibers (CNF) and hydroxyapatite (HA) were carried out using elastic–plastic fracture mechanics theory. The FCG resistance of UHMWPE, UHMWPE/CNF, and UHMWPE/HA was compared, and the effects of stress ratio (R) value and phase difference on FCG rate were investigated. At the same time, the influence of loading path was considered, and the corresponding crack path was analyzed. Results suggest that UHMWPE/CNF has better FCG resistance and the FCG rate increases with the increase of R value and the existence of 180° phase difference. In addition, crack bifurcation behavior is not observed under nonproportional loading conditions. The findings in this study will provide experimental validation and data support for better clinical application of UHMWPE‐modified materials.
Binding mechanism of spinosine and venenatine molecules with p300 HAT enzyme: Molecular screening, molecular dynamics and free‐energy analysis
Authors: Magudeeswaran Sivanandam , Poomani Kumaradhas 
Published: October 2019

AbstractThe chromatin modification is regulated by the histone acetyltransferase (HAT) and histone deacetyltransferase (HDAC) enzymes; abnormal function of these enzymes leads to several malignant diseases. The inhibition of these enzymes using natural ligand molecules is an emerging technique to cure these diseases. The in vitro analysis of natural molecules, venenatine, spinosine, palmatine and taxodione are giving the best inhibition rate against p300 HAT enzyme. However, the detailed understanding of binding and the stability of these molecules with p300 HAT is not yet known. The aim of the present study is focused to determine the binding strength of the molecules from molecular dynamics simulation analysis. The docking analysis confirms that, the venenatine (−6.97 kcal/mol ‐ conformer 8), spinosine (−6.52 kcal/mol conformer −10), palmatine (−5.72 kcal/mol conformer‐3) and taxodione (−4.99 kcal/mol conformer‐4) molecules form strong hydrogen bonding interactions with the key amino acid residues (Arg1410, Thr1411 and Trp1466) present in the active site of p300. In the molecular dynamics (MD) simulation, the spinosine retain these key interactions with the active site amino acid residues (Arg1410, Thr1411, and Trp1466) than venenatine and are stable throughout the simulation. The RMSD value of spinosine (0.5 to 1.3 Å) and venenatine (0.3 to 1.3 Å) are almost equal during the MD simulation. However, during the MD simulation, the intermolecular interaction between venenatine and the active site amino acid residues (Arg1410, Thr1411, and Trp1466) decreased on comparing with the spinosine‐p300 interaction. The binding free energy of the spinosine (−15.30 kcal/mol) is relatively higher than the venenatine (−11.8 kcal/mol); this increment is attributed to the strong hydrogen bonding interactions of spinosine molecule with the active site amino acid residues of p300.