bluuebunny/crossref_metadata_2025_split huggingface dataset:
Consecutive Marcus Electron and Proton Transfer in Heme Peroxidase Compound II-Catalysed Oxidation Revealed by Arrhenius Plots
Authors: Laurynėnas Audrius , Butkevičius Marius , Dagys Marius , Shleev Sergey , Kulys Juozas 
Published: October 2019

AbstractElectron and proton transfer reactions in enzymes are enigmatic and have attracted a great deal of theoretical, experimental, and practical attention. The oxidoreductases provide model systems for testing theoretical predictions, applying experimental techniques to gain insight into catalytic mechanisms, and creating industrially important bio(electro)conversion processes. Most previous and ongoing research on enzymatic electron transfer has exploited a theoretically and practically sound but limited approach that uses a series of structurally similar (“homologous”) substrates, measures reaction rate constants and Gibbs free energies of reactions, and analyses trends predicted by electron transfer theory. This approach, proposed half a century ago, is based on a hitherto unproved hypothesis that pre-exponential factors of rate constants are similar for homologous substrates. Here, we propose a novel approach to investigating electron and proton transfer catalysed by oxidoreductases. We demonstrate the validity of this new approach for elucidating the kinetics of oxidation of “non-homologous” substrates catalysed by compound II of Coprinopsis cinerea and Armoracia rusticana peroxidases. This study – using the Marcus theory – demonstrates that reactions are not only limited by electron transfer, but a proton is transferred after the electron transfer event and thus both events control the reaction rate of peroxidase-catalysed oxidation of substrates.
Probing Surface Morphology using X-ray Grating Interferometry
Authors: Yashiro Wataru , Ikeda Susumu , Wada Yasuo , Totsu Kentaro , Suzuki Yoshio , Takeuchi Akihisa 
Published: October 2019

AbstractX-ray reflectometry (XRR), a surface-sensitive technique widely used for characterizing surfaces, buried interfaces, thin films, and multilayers, enables determination of the electron density distribution perpendicular to a well-defined surface specularly reflecting X-rays. However, the electron density distribution parallel to the surface cannot be determined from an X-ray reflectivity curve. The electron density correlation in the lateral direction is usually probed by measuring the grazing-incidence small-angle X-ray scattering (GISAXS). GISAXS measurement, however, typically requires using a collimated X-ray point beam to distinguish the GISAXS from the specularly reflected X-rays, and so the sample must be scanned in the lateral direction with the point beam to investigate variations in the surface and interface morphology for a region larger than the size of the beam. In this paper, we report a new approach based on X-ray grating interferometry: an X-ray sheet beam is used instead of an X-ray point beam. A method using this approach can simultaneously provide one-dimensional real-space images of X-ray reflectivity, surface curvature, and ‘dark-field’ contrast with a field-of-view of more than a few millimetres. As a demonstration, a sample having a 400 nm line and space SiO2 pattern with a depth of 10 nm on its surface was used, and the dark-field contrast due to the unresolved line and space structure, creating GISAXS in the lateral direction, was successfully observed. Quantitative analysis of these contrasts provided the real-space distribution of the structural parameters for a simple model of the grating structure. Our study paves the way to a new approach to structure analysis, providing a quantitative way to investigate real-space variations in surface and interface morphology through wavefront analysis.
The impact of nanoparticle aggregation on their size exclusion during transport in porous media: One- and three-dimensional modelling investigations
Authors: Babakhani Peyman 
Published: October 2019

AbstractGreater particle mobility in subsurface environments due to larger size, known as size exclusion, has been responsible for colloid-facilitated transport of groundwater contaminants. Although size exclusion is not expected for primary engineered nanoparticles (NP), they can grow in size due to aggregation, thereby undergoing size exclusion. To investigate this hypothesis, an accurate population balance modelling approach and other colloid transport theories, have been incorporated into a three-dimensional transport model, MT3D-USGS. Results show that incorporating aggregation into the transport model improves the predictivity of current theoretical and empirical approaches to NP deposition in porous media. Considering an artificial size-variable acceleration factor in the model, NP breakthrough curves display an earlier arrival when aggregation is included than without. Disregarding the acceleration factor, aggregation enhances NP mobility at regions close to the injection point at a field scale and causes their retention at greater distances through alteration of their diffusivities, secondary interaction-energy minima, and settling behaviour. This results in a change of residual concentration profiles from exponential for non-aggregating dispersions to non-monotonic for aggregating dispersions. Overall, aggregation, hitherto believed to hinder the migration of NP in subsurface porous media, may under certain physicochemical conditions enhance their mobilities and deliver them to further distances.
On the efficiency of chemotactic pursuit - Comparing blind search with temporal and spatial gradient sensing
Authors: Metzner Claus 
Published: October 2019

AbstractIn chemotaxis, cells are modulating their migration patterns in response to concentration gradients of a guiding substance. Immune cells are believed to use such chemotactic sensing for remotely detecting and homing in on pathogens. Considering that immune cells may encounter a multitude of targets with vastly different migration properties, ranging from immobile to highly mobile, it is not clear which strategies of chemotactic pursuit are simultaneously efficient and versatile. We tackle this problem theoretically and define a tunable response function that maps temporal or spatial concentration gradients to migration behavior. The seven free parameters of this response function are optimized numerically with the objective of maximizing search efficiency against a wide spectrum of target cell properties. Finally, we reverse-engineer the best-performing parameter sets to uncover strategies of chemotactic pursuit that are efficient under different biologically realistic boundary conditions. Although strategies based on the temporal or spatial sensing of chemotactic gradients are significantly more efficient than unguided migration, such ‘blind search’ turns out to work surprisingly well, in particular if the immune cells are fast and directionally persistent. The resulting simulated data can be used for the design of chemotaxis experiments and for the development of algorithms that automatically detect and quantify goal oriented behavior in measured immune cell trajectories.
Oral delivery of xenon for cardiovascular protection
Authors: Yin Xing , Moody Melanie R. , Hebert Valeria , Klegerman Melvin E. , Geng Yong-Jian , Dugas Tammy R. , McPherson David D. , Kim Hyunggun , Huang Shao-Ling 
Published: October 2019

AbstractCardiac hypertrophy often causes impairment of cardiac function. Xenon (Xe), a naturally occurring noble gas, is known to provide neurological and myocardial protection without side effects. The conventional method of Xe delivery by inhalation is not feasible on a chronic basis. We have developed an orally deliverable, effective Xe formulation for long-term administration. We employed 2-hydroxypropyl)-β-cyclodextrin (HPCD), which was dissolved in water to increase the Xe concentration in solution. The beneficial effects of long-term oral administration of Xe-enriched solutions on cardiovascular function were evaluated in vivo. HPCD increased Xe solubility from 0.22 mM to 0.67 mM (3.8-fold). Aged ApoE knockout mice fed high-fat diet for 6 weeks developed hypertension, and myocardial hypertrophy with impaired cardiac function. Oral Xe prevented this ischemic damage, preserving normal blood pressure, while maintaining normal left ventricular mass and wall thickness. This novel formulation allows for gastrointestinal delivery and cardiovascular stabilization.
Diagnostic contribution of metabolic workup for neonatal inherited metabolic disorders in the absence of expanded newborn screening
Authors: Bower Alexandra , Imbard Apolline , Benoist Jean-François , Pichard Samia , Rigal Odile , Baud Olivier , Schiff Manuel 
Published: October 2019

AbstractInherited metabolic disorders (IMDs) in neonates are a diagnostic and therapeutic challenge for the neonatologist, with the priority being to rapidly flag the treatable diseases. The objective of this study was to evaluate the contribution of targeted metabolic testing for diagnosing suspected IMDs on the basis of suggestive clinical setting or family history in neonates. We conducted an observational study over five years, from January 1st, 2010 to December 31, 2014 in the neonatal intensive care unit (NICU) at Robert Debré University Hospital, Paris, France. We assessed the number of neonates for whom a metabolic testing was performed, the indication for each metabolic test and the diagnostic yield of this selected metabolic workup for diagnosing an IMD. Metabolic testing comprised at least one of the following testings: plasma, urine or cerebrospinal fluid amino acids, urine organic acids, plasma acylcarnitine profile, and urine mucopolysaccharides and oligosaccharides. 11,301 neonates were admitted at the neonatal ICU during the study period. One hundred and ninety six neonates underwent metabolic testing. Eleven cases of IMDs were diagnosed. This diagnostic approach allowed the diagnosis, treatment and survival of 4 neonates (maple syrup urine disease, propionic acidemia, carnitine-acylcarnitine translocase deficiency and type 1 tyrosinemia). In total, metabolic testing was performed for 1.7% of the total number of neonates admitted in the NICU over the study period. These included 23% finally unaffected neonates with transient abnormalities, 5.6% neonates suffering from an identified IMD, 45.4% neonates suffering from a non-metabolic identified disease and 26% neonates with chronic abnormalities but for whom no final causal diagnosis could be made. In conclusion, as expected, such a metabolic targeted workup allowed the diagnosis of classical neonatal onset IMDs in symptomatic newborns. However, this workup remained normal or unspecific for 94.4% of the tested patients. It allowed excluding an IMD in 68.4% of the tested neonates. In spite of the high rate of normal results, such a strategy seems acceptable due to the severity of the symptoms and the need for immediate treatment when available in neonatal IMDs. However, its cost-effectiveness remains low especially in a clinically targeted population in a country where newborn screening is still unavailable for IMDs except for phenylketonuria in 2019.
A value-added multistage utilization process for the gradient-recovery tin, iron and preparing composite phase change materials (C-PCMs) from tailings
Authors: Su Zijian , Tu Yikang , Chen Xijun , Zhang Yuanbo , Han Benlai , Anderson Corby , Jiang Tao 
Published: October 2019

AbstractTin-, iron-bearing tailing is a typically hazardous solid waste in China, which contains plenty of valuable tin, iron elements and is not utilized effectively. In this study, a multistage utilization process was put forward to get the utmost out of the valuable elements (tin and iron) from the tailings, and a gradient-recovery method with three procedures was demonstrated: (1) An activated roasting followed by magnetic separation process was conducted under CO-CO2 atmosphere, tin and iron were efficiently separated during magnetic separation process, and 90.8 wt% iron was enriched in magnetic materials while tin entered into non-magnetic materials; (2) The tin-enriched non-magnetic materials were briquetted with CaCl2 and anthracite and roasted, then tin-rich dusts were collected during the chloridizing roasting process; (3) The roasted briquettes were infiltrated in melting NaNO3 to prepare NaNO3/C-PCMs by a infiltration method. Three kinds of products were obtained from the tailings by the novel process: magnetic concentrates containing 64.53 wt.% TFe, tin-rich dusts containg 52.4 wt.% TSn and NaNO3/C-PCMs for high temperature heat storage. Such a comprehensive and clean utilization method for tin-, iron-bearing tailings produced no secondary hazardous solid wastes, and had great potential for practical application.
Oral Anti-Tumour Necrosis Factor Domain Antibody V565 Provides High Intestinal Concentrations, and Reduces Markers of Inflammation in Ulcerative Colitis Patients
Authors: Nurbhai Suhail , Roberts Kevin J. , Carlton Timothy M. , Maggiore Luana , Cubitt Marion F. , Ray Keith P. , Reckless Jill , Mohammed Hafeez , Irving Peter , MacDonald Thomas T. , Vossenkämper Anna , West Michael R. , Parkes Gareth C. , Crowe J. Scott 
Published: October 2019

AbstractV565 is an engineered TNFα-neutralising single domain antibody formulated into enteric coated mini-tablets to enable release in the intestine after oral administration as a possible oral treatment for inflammatory bowel disease (IBD). Following oral administration, ileal recovery of V565 was investigated in four patients with terminal ileostomy. Intestinal and systemic pharmacokinetics were measured in six patients with Crohn’s disease and evidence of target engagement assessed in five patients with ulcerative colitis. Following oral administration, V565 was detected at micromolar concentrations in ileal fluid from the ileostomy patients and in stools of the Crohn’s patients. In four of the five ulcerative colitis patients, biopsies taken after 7d dosing demonstrated V565 in the lamina propria with co-immunostaining on CD3+ T-lymphocytes and CD14+ macrophages. Phosphorylation of signalling proteins in biopsies taken after 7d oral dosing was decreased by approximately 50%. In conclusion, enteric coating of V565 mini-tablets provided protection in the stomach with gradual release in intestinal regions affected by IBD. Immunostaining revealed V565 tissue penetration and association with inflammatory cells, while decreased phosphoproteins after 7d oral dosing was consistent with V565-TNFα engagement and neutralising activity. Overall these results are encouraging for the clinical utility of V565 in the treatment of IBD.
The Effect of Antiarrhythmic Drugs on the Beat Rate Variability of Human Embryonic and Human Induced Pluripotent Stem Cell Derived Cardiomyocytes
Authors: Niehoff Julius , Matzkies Matthias , Nguemo Filomain , Hescheler Jürgen , Reppel Michael 
Published: October 2019

AbstractEmbryonic stem cell (ESC) derived tissue is a promising tool to be used in different clinical, preclinical and also scientific settings, for example as in vivo biological pacemaker, preclinical drug safety screening tool or ultimately as part of a cell replacement therapy. However, before ESC derived tissue can be used routinely for these purposes in humans, further studies are needed. In this context, the aims of the present study were to examine the effect of antiarrhythmic drugs on human ESC (hESC) und human induced pluripotent stem cell (hiPSC) derived cardiomyocytes by analyzing the beat rate variability (BRV), which can be considered as the in vitro equivalent of the heart rate variability (HRV) in vivo. Short-term recordings of extracellular field potentials of spontaneously beating cardiomyocytes derived from hESCs and hiPSCs were made using Microelectrode Arrays (MEA). The effect of Flecainide, Ivabradine and Metoprolol was tested. The offline analysis of the BRV was mainly focused on time domain methods. Additionally a non-linear analysis method was used. The evaluation of the Poincaré-Plots of the measurements without pharmacological intervention revealed that the vast majority of the scatter plots have a similar, ellipsoid shape. Flecainide and Ivabradine influenced BRV parameters significantly, whereas Metoprolol did not alter the BRV markedly. We detected remarkable similarities between the BRV of hESC and hiPSC derived cardiomyocytes in vitro and the HRV in vivo. The effect of antiarrhythmic drugs on spontaneously beating cardiomyocytes derived from hESC and hiPSC was generally consistent with clinical experiences and also with our previous study based on murine ESC derived cardiomyocytes. In conclusion, our study points out the great potential of hESC and hiPSC derived tissue to be used routinely for many different applications in medicine and science.
Genetic Diversity and DNA Fingerprints of Three Important Aquatic Vegetables by EST-SSR Markers
Authors: Zheng Xingwen , Cheng Teng , Yang Liangbo , Xu Jinxing , Tang Jiping , Xie Keqiang , Huang Xinfang , Bao Zhongzhou , Zheng Xingfei , Diao Ying , You Yongning , Hu Zhongli 
Published: October 2019

AbstractTwenty-two sacred lotus (Nelumbo nucifera), 46 taros (Colocasia esculenta) and 10 arrowheads (Sagittaria trifolia) were used as materials and combined with EST-SSR (expressed sequence tag-simple sequence repeats) primers developed by our laboratory. Core primers were screened from a large number of primers that were able to distinguish all materials with a high frequency of polymorphisms. Six pairs, twenty pairs and three pairs of core primers were screened from sacred lotus, taro, and arrowhead, respectively. The SSR fingerprints of these three important aquatic vegetables, producing 17-, 87- and 14-bit binary molecular identity cards, respectively, were separately determined by using the core primers. Since there were few core primers of sacred lotus and arrowhead, 3 and 9 primer pairs with higher polymorphic information content (PIC), respectively, were selected as candidate primers. These core and candidate primers were used to identify the purities of No.36 space lotus, Shandong 8502 taro and Wuhan arrowhead, which were 93.3% (84/90), 98.9% (89/90) and 100.0% (90/90), respectively. The fingerprints, displayed as binary molecular identification cards of three important aquatic vegetables, were obtained, and their purity was successfully determined with EST-SSR labeling technology. Phylogenetic trees were also constructed to analyze the genetic diversity of 22 sacred lotus, 46 taros and 10 arrowheads. This study classifies and identifies germplasm resources and is an important reference to test the authenticity and variety purity of other aquatic vegetables in the future.
Risk factors of postoperative major adverse cardiac events after radical cystectomy: implication of diastolic dysfunction
Authors: Jun In-Jung , Kim Junghwa , Kim Hyun-Gyu , Koh Gi-Ho , Hwang Jai-Hyun , Kim Young-Kug 
Published: October 2019

AbstractRadical cystectomy, which is a standard treatment of muscle invasive and high-grade non-invasive bladder tumour, is accompanied with high rates of postoperative complications including major adverse cardiac events (MACE). Diastolic dysfunction is associated with postoperative complications. We evaluated perioperative risk factors including diastolic dysfunction related with MACE within 6 months after radical cystectomy. The 546 patients who underwent elective radical cystectomy were included. Diastolic dysfunction was defined as early transmitral flow velocity (E)/early diastolic mitral annulus velocity (e′) > 15. Logistic regression analysis, Kaplan-Meier survival analysis and log-rank test were performed. MACE within 6 months after radical cystectomy developed in 43 (7.9%) patients. MACE was related with female (odds ratio 2.546, 95% confidence interval 1.166–5.557, P = 0.019) and diastolic dysfunction (odds ratio 3.077, 95% confidence interval 1.147–8.252, P = 0.026). The 6-month mortality were significantly higher in the MACE group, and hospital stay and intensive care unit stay were significantly longer in the MACE group compared to the non-MACE group. Accordingly, preoperative diastolic dysfunction (E/e′ > 15) was related with postoperative MACE and MACE was related with 6-month survival after radical cystectomy. These results suggest that preoperative diastolic dysfunction can provide useful information on postoperative complications.
Assessing the Impacts of Drought on Grassland Net Primary Production at the Global Scale
Authors: Wang Qian , Yang Yue , Liu Yangyang , Tong Linjing , Zhang Qi-peng , Li Jianlong 
Published: October 2019

AbstractQuantitatively assessing the impacts of drought on grassland has significant implications to understand the degradation mechanism and prevention degraded grassland. In this study, we analyzed the relationship between grassland drought and grassland Net Primary Productivity (NPP) based on the self-calibrated Palmer Drought Severity Index (scPDSI) from 1982 to 2008. The results showed that the global grassland scPDSI value had a slightly increasing trend with the rate of 0.0119 per year (R2 = 0.195), indicating that the global grassland drought lighter to some extent during study period. Moreover, the correlation coefficient between annual grassland NPP and scPDSI was from −0.83 to 0.92. The grassland NPP decreased under mild drought from 1992 to 1996. Additionally, the correlation coefficient between scPDSI and NPP for each grassland type was: Closed Shrublands > Non-woody grassland > Savannas > Open Shrublands > Woody Savannas, indicating that drought had difference influences on the different grassland types. Our results might provide the underlying insights needed to be guide for the effects of extreme weather events on grassland NPP.
Characterization and functional analysis of two novel 3-hydroxy-3-methylglutaryl-coenzyme A reductase genes (GbHMGR2 and GbHMGR3) from Ginkgo biloba
Authors: Rao Shen , Meng Xiangxiang , Liao Yongling , Yu Tian , Cao Jie , Tan Junping , Xu Feng , Cheng Shuiyuan 
Published: October 2019

AbstractTerpene trilactones (TTLs) are the main secondary metabolites ofGinkgo biloba. As one of the rate-limiting enzymes in the mevalonic acid (MVA) pathway of TTL biosynthesis, 3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMGR) catalyzes the 3-hydroxy-3-methylglutaryl coenzyme A to form MVA. In this study, two cDNA sequences ofHMGRgenes, namely,GbHMGR2andGbHMGR3, were cloned fromG. biloba. The protein sequences of GbHMGR2 and GbHMGR3, which contain several functional domains, were analyzed. Regulatory elements related to light, hormone, and stress response were detected in the promoter regions ofGbHMGR2andGbHMGR3. The catalytic activity of these genes was verified by a functional complement experiment in yeast. Quantitative real-time PCR (qRT-PCR) showed the distinct expression patterns of the two genes in different organs. The TTL contents in the organs were detected by high-performance liquid chromatography– evaporative light scattering detector.GbHMGR2andGbHMGR3were responded to cold, dark, methyl jasmonate (MJ), abscisic acid (ABA), salicylic acid (SA), and ethephon (Eth) treatments. The TTL contents were also regulated by cold, dark, MJ, ABA, SA, and Eth treatment. In conclusion,GbHMGR2andGbHMGR3may participate in the MVA pathway of TTL biosynthesis.