bluuebunny/crossref_metadata_2025_split huggingface dataset:
Making sense of parameter estimation and model simulation in bioprocesses
Authors: Sadino‐Riquelme M. Constanza , Rivas José , Jeison David , Hayes Robert E. , Donoso‐Bravo Andrés 
Published: February 2020

AbstractMost articles that report fitted parameters for kinetic models do not include meaningful statistical information. This study demonstrates the importance of reporting a complete statistical analysis and shows a methodology to perform it, using functionalities implemented in computational tools. As an example, alginate production is studied in a batch stirred‐tank fermenter and modeled using the kinetic model proposed by Klimek and Ollis (1980). The model parameters and their 95% confidence intervals are estimated by nonlinear regression. The significance of the parameters value is checked using a hypothesis test. The uncertainty of the parameters is propagated to the output model variables through prediction intervals, showing that the kinetic model of Klimek and Ollis (1980) can simulate with high certainty the dynamic of the alginate production process. Finally, the results obtained in other studies are compared to show how the lack of statistical analysis can hold back a deeper understanding about bioprocesses.
Polares Plankton
Authors: Beszteri Bánk , Havermans Charlotte , Auel Holger , Hagen Wilhelm , Trimborn Scarlett 
Published: February 2020

ZusammenfassungDer Klimawandel mit Temperaturerhöhung und Ozeanversauerung wird dramatische Auswirkungen auf das planktische Leben im Südpolarmeer haben. Unsere Studien zeigen, dass das Plankton im Südozean bereits im Wandel ist. Während heutzutage größere Diatomeen (Kieselalgen) die wichtigsten Primärproduzenten im Südpolarmeer sind, könnte es in Zukunft zu einem verstärkten Vorkommen kleinerer Flagellaten kommen. Auch das Zooplankton ist betroffen. Hier wurde eine Verschiebung von einem Krill‐ zu einem Salpen‐dominierten Nahrungsnetz im Südpolarmeer sowie die Verdrängung polarer Kaltwasserarten durch wärmetolerantere Arten aus angrenzenden Regionen beobachtet.
Bacterial, viral, and fungal infection‐related risk of Parkinson's disease: Meta‐analysis of cohort and case–control studies
Authors: Wang Hui , Liu Xi , Tan Changhong , Zhou Wen , Jiang Jin , Peng Wuxue , Zhou Xuan , Mo Lijuan , Chen Lifen 
Published: February 2020

AbstractAimsRecent studies showed that patients with various bacterial, viral, and fungal infections might be at increased risk of Parkinson's disease (PD). However, the risk of PD in patients with each specific infection varied. This meta‐analysis estimated the association between various infections and PD risk.MethodsLiterature published from January 1965 to October 2019 in PubMed and EMBASE databases was searched. Data were extracted and pooled using random/fixed effects model. Sensitivity analysis and meta‐regression were also performed to analyze the source of heterogeneity. Publication bias was estimated by the trim and fill.ResultsTwenty‐three out of 6,609 studies were included. Helicobacter pylori (HP; pooled OR = 1.653, 1.426–1.915, p < .001), hepatitis C virus (HCV; pooled OR = 1.195, 1.012–1.410, p = .035), Malassezia (pooled OR = 1.694, 1.367–2.100, p < .001), and pneumoniae (pooled OR = 1.595, 1.020–2.493, p = .041) infection were associated with increased PD risk. Influenza virus, herpes virus, hepatitis B virus, scarlet fever, mumps virus, chicken pox, pertussis, German measles, and measles were not associated with PD risk. After antiviral treatment against HCV reduced the risk of PD in patients with HCV infection (OR = 0.672, 0.571–0.791, p < .001). Significant heterogeneity exists among the included studies.ConclusionPatients with infection of HP, HCV, Malassezia, pneumoniae might be an increased risk of PD. Antiviral treatment of HCV could reduce the risk of PD.
Increased urge for movement, physical and mental restlessness, fundamental symptoms of restricting anorexia nervosa?
Authors: Casper Regina C. , Voderholzer Ulrich , Naab Silke , Schlegl Sandra 
Published: February 2020

AbstractObjectiveContinued mobility in the presence of severe weight loss is a well known, yet insufficiently researched characteristic of anorexia nervosa (AN). This study was designed to assess the prevalence of the drive for activity, here operationalized as an increased urge for movement, physical restlessness, and mental restlessness.MethodParticipants were 83 female consecutively admitted adolescent patients qualifying for a diagnosis of AN (ICD‐10), restricting subtype. Information collected included responses to a questionnaire inquiring retrospectively about physical and psychological reactions after significant weight loss (on average 12.5 kg) and to measures of psychiatric and eating disorder pathology and exercise behaviors at hospital admission.ResultsOver 80% of AN patients reported experiencing, at least partly, either, an increased urge for movement, physical or mental restlessness after significant weight loss. Altogether 95.1% reported, at least partly, one or a combination of two or all three symptoms. The sensations coexisted with equally high levels of fatigue and loss of energy, typically observed in starvation. The increased urge for movement and physical restlessness were foremost associated with reported actual physical activity and with weight loss. By contrast, mental restlessness was strongly linked to the degree of eating disorder pathology and to the severity of psychiatric symptoms.DiscussionThis is the first investigation of the presence of an increased urge for movement, physical restlessness, and mental restlessness after significant weight loss in patients with acute AN. The symptoms, given their high frequency and specificity, are likely pathogenic for AN and, if replicated, deserve to be considered for inclusion as diagnostic criteria for AN.
Helicobacter pylori infection leads to KLF4 inactivation in gastric cancer through a TET1‐mediated DNA methylation mechanism
Authors: Zhao Rongrong , Liu Zhengxia , Xu Wenting , Song Le , Ren Haifeng , Ou Yang , Liu Yakun , Wang Siying 
Published: February 2020

AbstractKrüppel‐like factor 4 (KLF4) has a tumor suppressor role in the progression of gastric cancer (GC), and inhibition or loss of KLF4 expression was identified in GC. The aim of this study was to explore the new molecular mechanism of KLF4 inactivation in gastric cancer. Herein, we report that Helicobacter pylori infection or Cag pathogenicity island protein A (CagA) gene transduction resulted in KLF4 expression downregulation and promoted gastric epithelial cell and gastric cancel cell proliferation, migration, and colony formation. Mechanistically, we found that CagA gene transduction led to DNA methylation of the KLF4 promoter, an effect that was relevant to the significant downregulation of TET1 expression. Causally, knockdown of TET1 expression decreased KLF4 expression, whereas overexpression of TET1 had the opposite effect. Clinically, we found that KLF4 expression and the 5‐hmC levels were lower in GC cells with H pylori infection than in GC cells without H pylori infection. Thus, our study not only sheds new light on how H pylori infection promotes the progression of GC but also elucidates a novel mechanism of KLF4 inactivation in GC pathogenesis. During pathogenesis, an alteration in the H pylori/CagA‐TET1‐KLF4 signaling pathway plays a critical role, suggesting that this pathway may be a prospective target for gastric carcinoma intervention and therapy.
Integrative analysis of highly mutated genes in hepatitis B virus‐related hepatic carcinoma
Authors: Kong Fanyun , Kong Delong , Yang Xiaoying , Yuan Dongchen , Zhang Ning , Hua Xuan , You Hongjuan , Zheng Kuiyang , Tang Renxian 
Published: February 2020

AbstractGene mutation is responsible for the development of hepatocellular carcinoma (HCC) with hepatitis B virus (HBV) infection; however, the characteristics and associated biological functions of highly mutated genes, in which the mutation frequencies are at least 5% in HCC patients with HBV infection, are not clearly evaluated. In the study, we analyzed the information regarding somatic mutation obtained by whole‐exome sequencing in 280 HBV‐related HCC tissues from public databases and published studies. Via integrative analysis, 78 genes, including TP53, TTN, MUC16, CTNNB1, and PCLO were summarized as highly mutated genes, and some of these mutated genes were further identified as cancer driver genes. Besides, we discovered that the highly mutated genes were enriched with various biological functions and pathways. The expression of many of highly mutated genes was found to be significantly altered in HBV‐related HCC, and several highly mutated genes were related to a variety of clinical factors and associated with the poor survival of the disease. Taken together, these results could enrich our understanding of highly mutated genes and their relationships with HBV‐related HCC. Some of the identified highly mutated genes might be used as novel biomarkers of disease prognosis, or as molecular targets for the treatment of HCC with HBV infection.
Cascade Synthesis from Cyclohexane to ϵ‐Caprolactone by Visible‐Light‐Driven Photocatalysis Combined with Whole‐Cell Biological Oxidation
Authors: Li Peilin , Ma Yunjian , Li Yongru , Zhang Xizhen , Wang Yonghua 
Published: February 2020

AbstractCyclohexane was directly oxy‐functionalised to ϵ‐caprolactone through a cascade reaction sequence combining visible‐light‐driven photocatalysis with cyclohexanone monooxygenase (CHMO) whole‐cell biocatalysis. Two available photocatalysts, Au‐doped TiO2 (Au‐TiO2) and graphitic carbonitride (g‐C3N4), were evaluated in the experiment and some optimisations to the cascade reaction were applied. In stepwise mode, the highest degree of conversion from cyclohexanol to ϵ‐caprolactone can be up to 41 %, with use of g‐C3N4. The cascade reaction from cyclohexane to ϵ‐caprolactone is achievable under a light intensity of 149 μW cm−2.
Outcomes of cardiogenic shock complicating acute coronary syndromes
Authors: Noaman Samer , Andrianopoulos Nick , Brennan Angela L. , Dinh Diem , Reid Christopher , Stub Dion , Biswas Sinjini , Clark David , Shaw James , Ajani Andrew , Freeman Melanie , Yip Thomas , Oqueli Ernesto , Walton Antony , Duffy Stephen J. , Chan William ,   the Melbourne Interventional Group Investigators
Published: February 2020

AbstractObjectivesWe aimed to assess the outcomes of cardiogenic shock (CS) complicating acute coronary syndromes (ACS).BackgroundCS remains the leading cause of mortality in patients presenting with ACS despite advances in care.MethodsWe studied 13,184 patients undergoing percutaneous coronary intervention (PCI) for all subtypes of ACS enrolled prospectively in a large multicentre Australian registry (Melbourne Interventional Group registry) from 2005 to 2013. All‐cause mortality was obtained via linkage to the National Death Index. Patients were divided into those with and those without CS.ResultsCompared to the non‐CS group (n = 12,548, 95.2%), the CS group (n = 636, 4.8%) had a higher proportion of out‐of‐hospital cardiac arrest (OHCA) (31.1 vs. 2.2%) and ST‐elevation myocardial infarction (STEMI) presentation (89 vs. 34%), both p < .01. Patients in the CS group had higher rates of in‐hospital (40.4 vs. 1.2%) and 30‐day (41 vs. 1.7%) mortality compared to the non‐CS group. Long‐term mortality over a median follow‐up of 4.2 years was higher in the CS group (50.6 vs. 13.8%), p < .001. Trends of in‐hospital and 30‐day mortality rates of CS complicating ACS were relatively stable from 2005 to 2013. Predictors of long‐term NDI‐linked mortality within the CS group include severe left ventricular systolic dysfunction (HR 3.0), glomerular filtration rate (GFR) <30 (HR 2.56), GFR 30–59 (HR 1.94), OHCA (HR 1.46), diabetes (HR 1.44), and age (HR 1.02), all p < .05.ConclusionsRates of CS‐related mortality complicating ACS have remained very high and steady over nearly a decade despite progress in STEMI systems of care, PCI techniques, and medical therapy.
Comparison of the arabinoxylan composition and physical properties of old and modern bread wheat (Triticum aestivum L.) and landraces genotypes
Authors: Cetiner Buket , Tömösközi Sándor , Török Kitti , Salantur Ayten , Koksel Hamit 
Published: February 2020

AbstractBackground and objectivesArabinoxylans (AXs) are the main nonstarch polysaccharides in cereals, and there are many health benefits associated with AXs. The aim of this study was to compare the contents and composition of arabinoxylans in modern and old bread wheat genotypes and landraces. The second aim was to determine the correlations between AX composition and physical properties of wheats. The third aim was to investigate the changes in water‐extractable AX (WEAX) content from wheat to whole wheat bread and also investigate the effect of enzyme addition on WEAX contents during bread making process.FindingsPrinciple component analysis results indicated that there were no extreme differences between the old and new wheats in terms of AX composition and physical properties. However, the old cultivars were generally softer than the modern cultivars. There was no statistically significant difference between WEAX content of whole wheat and whole wheat bread. However, WEAX content increased in whole wheat bread with the addition of xylanase.ConclusionThe results indicated that there were no extreme differences between the old and new wheats in terms of their various quality parameters.Significance and noveltyComparison of the wheat genotypes has provided no evidence that modern breeding has had negative effects on the contents of AX components.
1,2,5,6‐Tetrakis(guanidino)‐Naphthalenes: Electron Donors, Fluorescent Probes and Redox‐Active Ligands
Authors: Lohmeyer Lukas , Kaifer Elisabeth , Wadepohl Hubert , Himmel Hans‐Jörg 
Published: February 2020

AbstractNew redox‐active 1,2,5,6‐tetrakis(guanidino)‐naphthalene compounds, isolable and storable in the neutral and deep‐green dicationic redox states and oxidisable further in two one‐electron steps to the tetracations, are reported. Protonation switches on blue fluorescence, with the fluorescence intensity (quantum yield) increasing with the degree of protonation. Reactions with N‐halogenosuccinimides or N‐halogenophthalimides led to a series of new redox‐active halogeno‐ and succinimido‐/phthalimido‐substituted derivatives. These highly selective reactions are proposed to proceed via the tri‐ or tetracationic state as the intermediate. The derivatives are oxidised reversibly at slightly higher potentials than that of the unsubstituted compounds to dications and further to tri‐ and tetracations. The integration of redox‐active ligands in the transition‐metal complexes shifts the redox potentials to higher values and also allows reversible oxidation in two potentially separated one‐electron steps.
Achieving High‐Performance Pure‐Red Electrophosphorescent Iridium(III) Complexes Based on Optimizing Ancillary Ligands
Authors: Liang Baoyan , Yu Zhanshuang , Zhuang Xuming , Wang Jiaxuan , Wei Jinbei , Ye Kaiqi , Zhang Zuolun , Liu Yu , Wang Yue 
Published: February 2020

AbstractTwo new iridium(III) complexes were synthesized by introducing two trifluoromethyl groups into an ancillary ligand to develop pure‐red emitters for organic light‐emitting diodes (OLEDs). The electron‐donating ability of the ancillary ligands is suppressed, owing to the electron‐withdrawing nature of trifluoromethyl groups, which can reduce the HOMO energy levels compared with those of compounds without trifluoromethyl groups. However, the introduction of trifluoromethyl groups into the ancillary ligand has little impact on the LUMO energy levels. Therefore, a well‐tuned, pure‐red, excited‐state energy was achieved by regulating the relative energy level between the HOMO and LUMO. OLEDs with these complexes as emitters showed high external quantum efficiencies (EQEs) of 26 % and realized high EQEs of about 25 % and fairly low driving voltages of 3.3–3.6 V for practical luminance of 1000 cd m−2, as well as excellent Commission Internationale de L'Eclairage (CIE) coordinates of (0.66, 0.33) and (0.67, 0.33); thus, this demonstrates the successful molecular design strategy by modifying the electron‐donating ability of ancillary ligand.
Elucidating the Structural Chemistry of a Hysteretic Iron(II) Spin‐Crossover Compound From its Copper(II) and Zinc(II) Congeners
Authors: Pask Christopher M. , Greatorex Sam , Kulmaczewski Rafal , Baldansuren Amgalanbaatar , McInnes Eric J. L. , Bamiduro Faith , Yamada Mihoko , Yoshinari Nobuto , Konno Takumi , Halcrow Malcolm A. 
Published: February 2020

AbstractAnnealing [FeL2][BF4]2⋅2 H2O (L=2,6‐bis‐[5‐methyl‐1H‐pyrazol‐3‐yl]pyridine) affords an anhydrous material, which undergoes a spin transition at T1/2=205 K with a 65 K thermal hysteresis loop. This occurs through a sequence of phase changes, which were monitored by powder diffraction in an earlier study. [CuL2][BF4]2⋅2 H2O and [ZnL2][BF4]2⋅2 H2O are not perfectly isostructural but, unlike the iron compound, they undergo single‐crystal‐to‐single‐crystal dehydration upon annealing. All the annealed compounds initially adopt the same tetragonal phase but undergo a phase change near room temperature upon re‐cooling. The low‐temperature phase of [CuL2][BF4]2 involves ordering of its Jahn–Teller distortion, to a monoclinic lattice with three unique cation sites. The zinc compound adopts a different, triclinic low‐temperature phase with significant twisting of its coordination sphere, which unexpectedly becomes more pronounced as the crystal is cooled. Synchrotron powder diffraction data confirm that the structural changes in the anhydrous zinc complex are reproduced in the high‐spin iron compound, before the onset of spin‐crossover. This will contribute to the wide hysteresis in the spin transition of the iron complex. EPR spectra of copper‐doped [Fe0.97Cu0.03L2][BF4]2 imply its low‐spin phase contains two distinct cation environments in a 2:1 ratio.
Electron‐Rich Phenothiazine Congeners and Beyond: Synthesis and Electronic Properties of Isomeric Dithieno[1,4]thiazines
Authors: May Lars , Müller Thomas J. J. 
Published: February 2020

AbstractA series of isomeric dithieno[1,4]thiazines is accessible through an intermolecular–intramolecular Buchwald–Hartwig amination starting from dihalodithienyl sulfides. The electronic properties of dithieno[1,4]thiazine isomers differ conspicuously over a broad range depending on the thiophene–thiazine anellation: a large cathodic (340 mV) or an anodic shift (130 mV) of the redox potentials relative to corresponding phenothiazines is possible. Structure–property relationships of the dithieno[1,4]thiazine constitution derived from DFT calculations and cyclic voltammetry not only reveal increased electron density but also different delocalization of the radical cations that determines the electrochemical properties significantly. In addition, photophysical properties (absorption and emission) qualify dithieno[1,4]thiazines as promising substitutes of phenothiazine and beyond due to increased tunable electron richness.
A multi‐primary empirical model based on a quantum dots display technology
Authors: Huraibat Khalil , Perales Esther , Viqueira Valentín , Martínez‐Verdú Francisco M. 
Published: February 2020

AbstractIn this work, we built a multi‐primary display model based on the new quantum dots (QD) technology to enlarge the display color gamut. In this way, first the emission spectral radiance curves of the three RGB channels of a commercial QD display were fitted to a four‐parameter function. From this modeling, it is possible to gain new theoretical color primaries by selecting new spectral peaks (cyan, yellow, magenta, and/or additional RGB primaries) and imposing some colorimetric conditions for the resulting white of this proposed theoretical multi‐primary display. Proper characterization to assess the performance of the display was conducted to know if the basic “gain‐offset‐gamma” (GOG) model can be used for direct and inverse color reproduction (from RGB to CIE‐XYZ, and vice versa). The GOG model was found to well characterize this display. The spatial uniformity of the display was also evaluated in luminance and color chromaticity terms. Finally, with the primaries modeling and color characterization based on the GOG model, a 5‐primary model (RGBYC) was tested. The evaluation of this theoretical RGBYC display model confirms the gamut enlargement, which can also improve goniochromatic color reproduction.
Zinc‐Ion‐Induced Aggregation of Gold Clusters for Visible‐Light‐Excitation‐Based Fluorimetric Discrimination of Geometrical Isomers
Authors: Basu Srestha , Hajra Archismita , Gayen Chirantan , Paul Anumita 
Published: February 2020

AbstractHerein, we report discrimination of dicarboxylic acids – fumaric acid (FA) and maleic acid (MA) – exhibiting geometrical isomerism, using nanoclusters based luminescent probe having excitation under broad day light. The luminescent probe was designed via complexation reaction between zinc ions and ligands (mercaptopropioinc acid; MPA) stabilizing the gold nanoclusters. This resulted in formation of nanoaggregates exhibiting bright green luminescence upon excitation at 450 nm capable of discriminating between FA and MA upto nanomolar level. The basis of discrimination has been attributed to deprotonation of FA and MA following interaction with MPA moieties present on the surface of the nanoaggregates and being governed by the stability of the respective conjugate base of the geometrical isomers of the dicarboxylic acids. As a consequence of different extent of deprotonation of FA and MA upon interaction with the cluster aggregates, different effect on the luminescence of the aggregates was observed, thus enabling discernible fluorimetric discrimination between FA and MA under visible light excitation.
Winter oilseed rape semi‐dwarf hybrids are not discriminated by front‐border effects in yield trials
Authors: Schierholt Antje , Holzenkamp Karin , Hartwig Henning , Gertz Andreas , Becker Heiko 
Published: February 2020

AbstractFor oilseed rape (Brassica napus L.), hybrid varieties of two growth types, semi‐dwarf and normal, are on the market. So far, the acceptance of semi‐dwarf hybrids is very limited, though they have several advantages such as higher N efficiency and drought tolerance. It is undecided whether both growth types are influenced in the same way by front‐border effects in plot yield trials. This study analyzed if semi‐dwarf hybrids were discriminated against in yield trials, due to differences in the exploitation of the front‐border area, since they could not lean and grow as far into the adjacent path due to a reduced height compared to normal type hybrids. From 2016–2018, eight pairs of near‐isogenic hybrids, bzh semi‐dwarf and normal type hybrids, were grown in three environments, with three replications and two treatments: Plants were harvested with and without the plot front‐border, and seed and straw yields were determined. Root electrical capacitance was also measured. Semi‐dwarf hybrids outperformed normal type hybrids in seed yield in the dry season of 2018, whereas the reverse happened in the more humid season of 2017. Across environments, semi‐dwarf hybrids had a higher positive front‐border effect (11.2%) than normal type hybrids (9.6%), leading to a relative overestimation of semi‐dwarf hybrid yields. There was no significant difference in root electrical capacitance between growth types across environments. It could be concluded that semi‐dwarf hybrids were not disadvantaged with regard to front‐border effects in plot trials, when compared to normal type hybrids. However, elimination of the plot front‐border area might improve comparisons between semi‐dwarf and normal type cultivars.