bluuebunny/crossref_metadata_2025_split huggingface dataset:
Wege zu weniger CO2
Authors: Haider Markus , Gigler Peter , Auer Dominik , Zallinger Sabine 
Published: October 2020

AbstractDer Anteil strombasierter Prozesse muss in der chemischen Industrie steigen, und der Strom dafür sollte auf Sonne oder Wind basieren. Wie das Chemieunternehmen Wacker mit seinen Produkten, Kunden und Lieferanten Kohlendioxidemissionen verringert.
Trendbericht Lebensmittelchemie
Authors: Hellwig Michael 
Published: October 2020

AbstractBei der Proteinoxidation sind nicht nur Mechanismen und Reaktionsprodukte interessant, sondern auch, wie sie sich auf funktionelle und sensorische Eigenschaften von Lebensmitteln auswirken. Massenspektrometrie ersetzt zunehmend die unspezifische UV‐ und Fluoreszenzspektroskopie. Und mit Targeted‐proteomics‐Ansätzen lassen sich nicht nur einzelne oxidierte Aminosäuren bestimmen, sondern auch selektiv oxidierte tryptische Peptide.
„Um die Erstsemester machen wir uns große Sorgen“
Authors: Zbikowski Frauke 
Published: October 2020

AbstractIn diesen Tagen beginnt das Wintersemester. Dabei geht jedes Bundesland und jede Universität mit Covid‐19 und steigenden Infektionszahlen anders um. In einem sind sich die Chemiefachbereiche einig: Chemie studieren im Fernunterricht ohne Laborpraktika ist sinnlos.
Pancreatectomy, Islet Cell Transplantation, and Nutrition Considerations
Authors: Narayanan Siddharth , Bhutiani Neal , Adamson Dylan T. , Jones Christopher M. 
Published: October 2020

AbstractPancreatic islet transplantation is a reliable approach for treating insulin‐deficient diabetes. This established β‐cell replacement approach has shown considerable improvements in the last 2 decades. It has helped achieve metabolic homeostasis and safe outcomes for a subset of patients with type 1 diabetes and severe pancreatitis. Nutrition support, until recently, was considered as a secondary factor, merely identified as a means of providing all the necessary nutrients for such patients. However, new literature suggests that several factors, such as the route, timing, quantity, and composition of all the nutrients administered, have key disease‐altering properties and are vital during the perioperative management of such patients. This review will highlight the benefits of performing the clinical islet transplantation on a subgroup of patients with type 1 diabetes and pancreatitis and summarize new data that identify the pivotal role of nutrition support as a critical intervention in their management.
A consistent and versatile computational approach for general fluid‐structure‐contact interaction problems
Authors: Ager Christoph , Seitz Alexander , Wall Wolfgang A. 
Published: October 2020

AbstractWe present a consistent approach that allows to solve challenging general nonlinear fluid‐structure‐contact interaction (FSCI) problems. The underlying formulation includes both “no‐slip” fluid‐structure interaction as well as frictionless contact between multiple elastic bodies. The respective interface conditions in normal and tangential orientation and especially the role of the fluid stress within the region of closed contact are discussed for the general problem of FSCI. A continuous transition of tangential constraints from no‐slip to frictionless contact is enabled by using the general Navier condition with varying slip length. Moreover, the fluid stress in the contact zone is obtained by an extension approach as it plays a crucial role for the lift‐off behavior of contacting bodies. With the given continuity of the formulation, continuity of the discrete system of equations for any variation of the coupled system state (which is essential for the convergence of Newton's method) is reached naturally. As topological changes of the fluid domain are an inherent challenge in FSCI configurations, a noninterface fitted cut finite element method (CutFEM) is applied to discretize the fluid domain. All interface conditions, that is the “no‐slip” FSI, the general Navier condition, and frictionless contact are incorporated using Nitsche based methods, thus retaining the consistency of the model. To account for the strong interaction between the fluid and solid discretization, the overall coupled discrete system is solved monolithically. Numerical examples of varying complexity are presented to corroborate the developments. In a first example, the fundamental properties of the presented formulation such as the contacting and lift‐off behavior, the mass conservation, and the influence of the slip length for the general Navier interface condition are analyzed. Beyond that, two more general examples demonstrate challenging aspects such as topological changes of the fluid domain, large contacting areas, and underline the general applicability of the presented method.
Long time error analysis of the fourth‐order compact finite difference methods for the nonlinear Klein–Gordon equation with weak nonlinearity
Authors: Feng Yue 
Published: October 2020

AbstractWe present the fourth‐order compact finite difference (4cFD) discretizations for the long time dynamics of the nonlinear Klein–Gordon equation (NKGE), while the nonlinearity strength is characterized by ϵp with a constant p ∈ ℕ+ and a dimensionless parameter ϵ ∈ (0, 1]. Based on analytical results of the life‐span of the solution, rigorous error bounds of the 4cFD methods are carried out up to the time at O(ϵ−p). We pay particular attention to how error bounds depend explicitly on the mesh size h and time step τ as well as the small parameter ϵ ∈ (0, 1], which indicate that, in order to obtain ‘correct’ numerical solutions up to the time at O(ϵ−p), the ϵ‐scalability (or meshing strategy requirement) of the 4cFD methods should be taken as: h = O(ϵp/4) and τ = O(ϵp/2). It has better spatial resolution capacity than the classical second order central difference methods. By a rescaling in time, it is equivalent to an oscillatory NKGE whose solution propagates waves with wavelength at O(1) in space and O(ϵp) in time. It is straightforward to get the error bounds of the oscillatory NKGE in the fixed time. Finally, numerical results are provided to confirm our theoretical analysis.
Fundraising for regional environmental issues: Public perceptions of who is financially responsible for the local environment
Authors: Jones Jennifer A. , Bi Xiang 
Published: October 2020

Environmental nonprofit organizations attract less than 5 % of total philanthropic giving. Given the seriousness of the environmental challenges facing the globe, it is imperative to identify barriers to and best practices in soliciting environmental giving. Past studies have identified the difficulty in soliciting funding for macro‐level environmental concerns or for concerns considered to be public goods; however, little research has been conducted about giving to regional environmental concerns. Our research questions were as follows: (a) from what type of sources do residents believe environmental protection for regional environmental concerns should be funded?; (b) how willing are residents to contribute financially to regional environmental concerns?; and (c) to what extent do residents trust nonprofit organizations to address regional environmental concerns? We surveyed Florida residents (n = 548) about the conservation of the Ocklawaha River and the breaching of the Rodman Reservoir, an area with pressing environmental concerns and heavily frequented for economic and recreational use. Findings suggest that (a) participants believe government agencies, not nonprofits, should fund restoration projects, (b) participants trust nonprofits more than government to accomplish restoration goals, and (c) participants are more interested in contributing via taxes than via donations. Considerations for fundraising are discussed.
Predictors of liver fat among children and adolescents from five different ethnic groups
Authors: Maskarinec Gertraud , Garber Andrea K. , Wong Michael C. , Kelly Nisa , Kazemi Leila , Buchthal Steven D. , Fearnbach Nicole , Heymsfield Steven B. , Shepherd John A. 
Published: October 2020

AbstractObjectivesAs rates of obesity around the world have increased, so has the detection of high level of liver fat in children and adolescents. This may put them at risk for cardiovascular disease later in life. This analysis of a cross‐sectional population‐based study of children and adolescents evaluated demographic and lifestyle determinants of percent liver fat.MethodsHealthy participants (123 girls and 99 boys aged 5–17 years) recruited by convenience sampling in three locations completed questionnaires, anthropometric measurements, and dual X‐ray absorptiometry and magnetic resonance imaging (MRI) assessment. General linear models were applied to estimate the association of demographic, anthropometric, and dietary factors as well as physical activity with MRI‐based percent liver fat.ResultsThe strongest predictor of liver fat was body mass index (BMI; p < 0.0001); overweight and obesity were associated with 0.5% and 1% higher liver fat levels. The respective adjusted mean percent values were 2.9 (95% CI 2.7, 3.1) and 3.4 (95% CI 3.2, 3.6) as compared to normal weight (2.4; 95% CI 2.3, 2.6). Mean percent liver fat was highest in Whites and African Americans, intermediate in Hispanic, and lowest among Asians and Native Hawaiians/Pacific Islanders (p < 0.0001). Age (p = 0.67), sex (p = 0.28), physical activity (p = 0.74), and diet quality (p = 0.70) were not significantly related with liver fat.ConclusionsThis study in multiethnic children and adolescents confirms the strong relationship of BMI with percent liver fat even in a population with low liver fat levels without detecting an association with age, sex, and dietary or physical activity patterns.
Assessment of kidney function using inulin‐based and estimated glomerular filtration rates before and after allogeneic hematopoietic stem cell transplantation in pediatric patients
Authors: Matsuoka Daisuke , Hirabayashi Koichi , Murase Tsubasa , Saito Shoji , Hidaka Yoshihiko , Nakazawa Yozo 
Published: October 2020

AbstractBackgroundAccurate evaluation of kidney function before and after allogeneic hematopoietic stem cell transplantation (allo‐HSCT) is important for both informed decision making and detection of chronic kidney disease. However, to the best of our knowledge, no report has evaluated the glomerular filtration rate (GFR) in pediatric patients who underwent HSCT using the gold standard GFR measurement, as well as inulin‐based GFR (iGFR).MethodsWe assessed iGFR before and after allo‐HSCT to evaluate the impact of allo‐HSCT on GFR in a prospective cohort study of 17 pediatric patients. We also assessed the accuracy and bias of the values of estimated GFR (eGFR) calculated using serum creatinine (Cr), cystatin C (CysC), beta‐2 microglobulin (β2MG), 24‐h creatinine clearance (24hCcr), and the full chronic kidney disease in children (CKiD) index that combines Cr, CysC, and blood urea nitrogen‐based equations with iGFR as a reference to identify the most reliable equation for GFR.ResultsThere was no significant difference between the values before and after allo‐HSCT. CKiD CysC‐, 24hCcr‐, and full CKiD‐based values showed good within 30% (P30) accuracy (80.6%, 79.3%, and 80.6%, respectively), but only 24hCcr and full CKiD had good mean bias (8.5% and 8.9%, respectively) and narrow 95% limits of agreement (−32.2 to 52.7 mL/min/1.73 m2 and −29.3 to 47.4 mL/min/1.73 m2, respectively) compared with the corresponding iGFR.ConclusionThere was no significant impact of allo‐HSCT on GFR in our cohort. The most reliable equations for pediatric patients with allo‐HSCT were eGFR‐24hCcr and eGFR‐full CKiD.
A robust empirical model equation for the compaction response of textile reinforcements
Authors: Blößl Yannick , Schledjewski Ralf 
Published: October 2020

AbstractIn this study, the empirical modeling of the compaction response of different fibrous reinforcements with a focus on natural fiber‐based textiles is investigated. The main objective is the improvement of an empirical modeling approach in terms of a constant high accuracy for different compaction behaviors and varying test conditions. Therefore, a new two‐parameter model function is derived based on the characteristics of the compaction work progression. Five different plant fiber textiles (flax and hemp) with different fiber architectures (nonwoven, woven, and unidirectional noncrimp fabric) and a woven glass fiber reinforcement are tested within compaction experiments, considering the variation of the stack height, the compaction rate and repetitive load‐unload cycles. The new empirical model shows an overall better accuracy with smaller deviations in quality compared to alternative, commonly used empirical model functions based on the power and exponential law, which are considered for comparison purposes.
High‐resolution epigenomic liquid biopsy for noninvasive phenotyping in pregnancy
Authors: Chu Tianjiao , Shaw Patricia , McClain Lora , Simhan Hyagriv , Peters David 
Published: October 2020

AbstractObjectiveWe explored the potential of genome‐wide epigenomic liquid biopsy for the comprehensive analysis of cell‐free DNA (cfDNA) methylation signatures in maternal plasma in early gestation.MethodWe used solution phase hybridization for targeted region capture of bisulfite‐converted DNA obtained from plasma of pregnant women in early gestation and nonpregnant female controls.ResultsTargeted sequencing of ~80.5 Mb of the plasma methylome generated an average read depth across all 17 plasma samples of ~42x. We used these data to explore the pregnancy‐specific characteristics of cfDNA methylation in plasma and found that pregnancy resulted in clearly detectable global alterations in DNA methylation patterns that were influenced by genomic location. We analyzed similar, previously published, data from first‐trimester maternal leukocyte populations and gestational age–matched chorionic villus (CV) and confirmed that tissue‐specific DNA methylation signatures in these samples had a significant influence on global and gene‐specific methylation in the plasma of pregnant women.ConclusionWe describe an approach for targeted epigenomic liquid biopsy in pregnancy and discuss our findings in the context of noninvasive prenatal testing with respect to phenotypic pregnancy monitoring and the early detection of complex gestational phenotypes such as preeclampsia and preterm birth.
Quantifying cumulative anticholinergic and sedative drug load among US Medicare Beneficiaries
Authors: Shmuel Shahar , Pate Virginia , Pepin Marc J. , Bailey Janine C. , Hanson Laura C. , Stürmer Til , Naumann Rebecca B. , Golightly Yvonne M. , Gnjidic Danijela , Lund Jennifer L. 
Published: October 2020

AbstractPurposeMedications with anticholinergic and sedative properties are widely used among older adults despite strong evidence of harm. The drug burden index (DBI), a pharmacological screening tool, measures these properties across drug classes, and higher DBI drug exposure (DBI > 1) has been associated with certain physical function‐related adverse events. Our aim was to quantify mean daily DBI drug exposure among older adults in the United States (US).MethodsWe screened medications for DBI properties and operationalized the DBI for US Medicare claims. We then conducted a retrospective cohort study of a 20% random, nationwide sample of 4 137 384 fee‐for‐service Medicare beneficiaries aged 66+ years (134 757 039 person‐months) from January 2013 to December 2016. We measured the monthly distribution based on mean daily DBI, categorized as (a) >0 vs 0 (any use) and (b) 0, 0 < DBI ≤ 1, 1 < DBI ≤ 2, and DBI > 2, and examined temporal trends. We described patient‐level factors (eg, demographics, healthcare use) associated with high (>2) vs low (0 < DBI≤1) DBI drug exposure.ResultsThe distribution of the mean daily DBI, aggregated at the month‐level, was: 58.1% DBI = 0, 29.0% 0 < DBI≤1, 9.3% 1 < DBI≤2, and 3.7% DBI > 2. Predictors of high monthly DBI drug exposure (DBI > 2) included certain indicators of increased healthcare use (eg, high number of drug claims), white race, younger age, frailty, and a psychosis diagnosis code.ConclusionsThe predictors of high DBI drug exposure can inform discussions between patients and providers about medication appropriateness and potential de‐prescribing. Future Medicare‐based studies should assess the association between the DBI and adverse events.
Design, synthesis, and insecticidal activities of novel 5‐substituted 4,5‐dihydropyrazolo[1,5‐a]quinazoline derivatives
Authors: Yang Shuai , Lai Qiuqin , Lai Fengwen , Jiang Xunyuan , Zhao Chen , Xu Hanhong 
Published: October 2020

AbstractBACKGROUNDChemical pesticides are the main measures for pest control, but have caused growing resistance of pests and brought a series of environmental problems. Development of high‐efficient insecticidal molecules with novel scaffolds is therefore particularly urgent.RESULTSBased on a [5 + 1] annulation reaction with 5‐amino‐1H‐phenylpyrazole and dialkyl bromomalonate, 27 novel five‐substituted 4,5‐dihydropyrazolo[1,5‐a]quinazolines were designed following the intermediate derivatization method and synthesized. Bioassay results indicated that most of the test compounds displayed good insecticidal activities against Plutella xylostella, Spodoptera frugiperda, and Solenopsis invicta. In particular, the insecticidal activities of compounds 4a, 4f, and 4m against P. xylostella [median lethal concentration (LC50) values ranged from 3.87 to 5.10 mg L−1] were comparable to that of indoxacarb (LC50 = 4.82 mg L−1). In addition, compounds 4a and 9e showed similar high insecticidal activities against Spodoptera frugiperda (mortality rate = 79.63% and 72.12%) at 100 mg L−1, comparable to that of fipronil (mortality rate: 68.44%); compound 9a showed possible delayed toxicity against Solenopsis invicta (mortality rate: 95.66%) after 5 days of treatment at 1.0 mg L−1.CONCLUSIONDue to their high insecticidal activities against P. xylostella, compound 4m, 4a, and 4f could be considered as qualified candidates for novel insecticide. Several other 4,5‐dihydropyrazolo[1,5‐a]quinazolines with relatively high bioactivity, such as compounds 9a and 9e, are also worth further optimization as potential insecticide or anticide candidates.
All resistance alleles are not equal: the high fitness cost of super‐kdr in the absence of insecticide
Authors: Freeman Jamie C , San Miguel Keri , Scott Jeffrey G 
Published: October 2020

AbstractBACKGROUNDMutations in the voltage‐sensitive sodium channel are an important mechanism of resistance to pyrethroid insecticides. In Musca domestica, common resistance alleles are kdr, super‐kdr and kdr‐his. The levels of resistance that these alleles confer is known, but the fitness of these alleles relative to each other and to susceptible alleles is unknown. We used crosses from congenic strains of M. domestica to establish populations with known allele frequencies and then examined the changes in allele and genotype frequencies over 25 generations under laboratory conditions.RESULTSThere was a significant fitness cost for the super‐kdr allele, which decreased from the starting frequency of 0.25 to 0.05 after 25 generations. The fitness of the kdr, kdr‐his and susceptible alleles were similar. The greatest change in genotype frequency was seen for the super‐kdr/super‐kdr genotype, which was no longer detected after 25 generations.CONCLUSIONThe fitness cost associated with the super‐kdr allele is consistent with previous reports and appears to be a factor in helping to restrain high levels of resistance in field populations (the super‐kdr allele confers higher levels of resistance than kdr or kdr‐his). It is known that the relative costs of different alleles are environmentally dependent, but our results also demonstrate that the relative fitness of given alleles depends on which alleles are present in a given population, as previous pairwise comparisons of allele fitness do not exactly match (except for super‐kdr) the results obtained using this four allele study. © 2020 Society of Chemical Industry
Differential development times of galls induced by Leptocybe invasa (Hymenoptera: Eulophidae) reveal differences in susceptibility between two Eucalyptus clones
Authors: Sarmento Maíra Ignacio , Pinto Glória , Araújo Wagner L , Silva Renata C , Lima Carlos Henrique O , Soares Amadeu MVM , Sarmento Renato A 
Published: October 2020

AbstractBACKGROUNDThe significance of morphological responses of hosts on susceptibility against gall‐inducing insects is relatively unknown, especially in planted forests. Here, we investigate the temporal morphological responses (gall development) induced by the invasive gall wasp Leptocybe invasa and the subsequent insect development in two Eucalyptus clones.RESULTSOur results identified a novel stage of gall development, not previously reported, termed here ‘brownish ring’. In both hosts similar gall development stages were observed. Although L. invasa oviposited in both clones, comparison of external morphological traits of galls over time revealed a differential response in the number of galls between clones. Comparison of the developmental time of each gall and insect stage between clones suggests that plant defense mechanisms against L. invasa are activated shortly after oviposition by the wasp, yet before gall formation.CONCLUSIONGall number is an important parameter that should be used to measure host susceptibility among Eucalyptus clones. To the best of our knowledge, this is the first study showing differential morphological responses induced by a galling insect, even before gall formation, revealing differences in susceptibility between different plant hosts. These findings provide insight into the use of early stages of gall formation by L. invasa to prevent invasion and establishment of this pest.
Nature of the bond, reduction potential, and solvation properties of ruthenium nitrosyl complexes of the type trans‐[Ru(NH3)4(L)(NO)]2+/3+ and [Ru(salen)(L)(NO)]2+/3+ in different charge and spin states
Authors: Silva Rodrigues Gabriel L. , Rocha Willian R. 
Published: October 2020

AbstractIn this work, we present a systematic study of the nature of the RuNO bond, reduction potential, and behavior in the solution of several ruthenium nitrosyl complexes of the type trans‐[Ru(NH3)4(L)(NO)]2+/3+ (L = Cl, H2O, NH3, OH, py = pyridine, POEt3 = triethylphosphite, TVP = trivinyl phosphite) and [Ru(salen)(L)(NO)]2+/3+ (L = Cl, H2O) in different charge and spin states. We employed density functional theory, complete active space self‐consistent field, the quantum theory of atoms in molecules, charge decomposition analysis, and Monte Carlo statistical simulation in aqueous solution to investigate how the different ligands on the coordination sphere of the ruthenium atom can affect the nature of the RuNO bond and, therefore, its reactivity, reduction potential, and solvation properties. The nature of the RuNO bond varies significantly between the singlet, doublet, and triplet electronic states of these complexes, in part due to the change in the coordination mode of the NO ligand and also due to the electron correlation effects along the RuNO bond that changes drastically. For all complexes studied, the RuNO bond shows some intriguing characteristics, such as large kinetic energy density and considerable amount of electron localization between the atoms, besides high multiconfigurational character, with a significant contribution from the RuIIINO0 configuration. In addition, for all the complexes investigated, the NO ligand does not interact with the solvent through hydrogen bonds, making this group accessible for chemical reactions in solution. Another important finding was that some of the RuIIINO compounds can be reduced by biological reducing agents in the singlet ground state, while all of them have high reduction potentials in the triplet excited state, making them suitable candidates for the photorelease of nitric oxide.