bluuebunny/crossref_metadata_2025 huggingface dataset:
Chemistry of Soft Porous Crystals: Structural Dynamics and Gas Adsorption Properties
Authors: Krause Simon , Hosono Nobuhiko , Kitagawa Susumu
Published: May 2020

In this Minireview, we discuss the fundamental chemistry of soft porous crystals (SPCs) by characterizing their common structural features and the resulting structural softness and transitions. In particular, we focus on the recently emerging properties based on metastable transitions and those arising from local dynamics. By comparing the resulting adsorption properties to those of commonly applied rigid adsorbents, we highlight the potential of SPCs to revolutionize adsorption‐based technologies, considering our current understanding of the thermodynamic and kinetic aspects. We provide brief outlines for the experimental and computational characterization of such phenomena and offer an outlook toward next‐generation SPCs likely to be discovered in the next decade.
CRISPRi‐mediated programming essential gene can as a Direct Enzymatic Performance Evaluation & Determination (DEPEND) system
Authors: Tan Shih‐I , Yu Peng‐Jui , Ng I‐Son
Published: May 2020

Harnessing enzyme expression for production of target chemicals is a critical and multifarious process, where screening of different genes by inspection of enzymatic activity plays an imperative role. Here, we conceived an idea to improve the time‐consuming and labor‐intensive process of enzyme screening. Controlling cell growth was achieved by the Cluster Regularly Interspaced Short Palindromic Repeat (CRISPRi) system with different single guide RNA targeting the essential gene can (CRISPRi::CA) that encodes a carbonic anhydrase for CO2 uptake. CRISPRi::CA comprises a whole‐cell biosensor to monitor CO2 concentration, ranging from 1% to 5%. On the basis of CRISPRi::CA, an effective and simple Direct Enzymatic Performance Evaluation & Determination (DEPEND) system was developed by a single step of plasmid transformation for targeted enzymes. As a result, the activity of different carbonic anhydrases corresponded to the colony‐forming units. Furthermore, the enzymatic performance of 5‐aminolevulinic acid synthetase (ALAS), which converts glycine and succinate‐CoA to release a molecule of CO2, has also been distinguished, and the effect of the chaperone GroELS on ALAS enzyme folding was successfully identified in the DEPEND system. We provide a highly feasible, time‐saving, and flexible technology for the screening and inspection of high‐performance enzymes, which may accelerate protein engineering in the future.
A simplified and reliable LC–tandem mass spectrometry method for determination of ulipristal acetate in human plasma and its application to a pharmacokinetic study in healthy Chinese volunteers
Authors: Peng Chun , Zhao Shunbo , Tang Ling , Wang Keli , Wang Yan , Ding Li
Published: May 2020

In this study, a simplified, sensitive and reliable LC–tandem mass spectrometry method was established and validated for the quantification of ulipristal acetate (UPA) in human plasma and for the investigation of pharmacokinetic profile of UPA following a single oral administration of ella (UPA 30‐mg tablet) in healthy Chinese volunteers. Plasma samples were analyzed after being processed by protein precipitation with methanol. Chromatographic separation was performed on a Kinetex EVO C18 column (2.1 × 50 mm, 2.6 μm) using gradient elution with a mobile phase composed of methanol and water containing 2 mm ammonium acetate and 0.3% formic acid at a flow rate of 0.3 mL/min. The chromatographic running time was 4.0 min per sample. The MS detection was performed via an LC system with the positive ion electrospray ionization interface in multiple reaction monitoring mode using the transition of m/z 476.2 → 134.1 for UPA and m/z 479.3 → 416.2 for UPA‐d3 [internal standard (IS)], respectively. UPA and IS were monitored without severe interference from the biological matrices. The method was linear over the wide concentration range of 0.300–300 ng/mL. The intra‐ and inter‐day precision and accuracy were well within the limits required for bioanalytical assays. The method was first used to describe the pharmacokinetic characteristic of UPA after a single oral administration of ella in healthy Chinese volunteers. Based on a between‐study comparison, there were statistically significant differences (p < .05) between Chinese and Caucasian volunteers for the systemic exposure of UPA, suggesting that race seems to significantly impact the systemic exposure of UPA.
Unraveling the Beneficial Microstructure Evolution in Pyrite for Boosted Lithium Storage Performance
Authors: Wang Jie , Qin Jinwen , Jiang Yan , Mao Baoguang , Wang Xin , Cao Minhua
Published: May 2020

Pyrite FeS2 as a high‐capacity electrode material for lithium‐ion batteries (LIBs) is hindered by its unstable cycling performance owing to the large volume change and irreversible phase segregation from coarsening of Fe. Here, the beneficial microstructure evolution in MoS2‐modified FeS2 is unraveled during the cycling process; the microstructure evolution is responsible for its significantly boosted lithium storage performance, making it suitable for use as an anode for LIBs. Specifically, the FeS2/MoS2 displays a long cycle life with a capacity retention of 116 % after 600 cycles at 0.5 A g−1, which is the best among the reported FeS2‐based materials so far. A series of electrochemical tests and structural characterizations substantially revealed that the introduced MoS2 in FeS2 experiences an irreversible electrochemical reaction and thus the in situ formed metallic Mo could act as the conductive buffer layer to accelerate the dynamics of Li+ diffusion and electron transport. More importantly, it can guarantee the highly reversible conversion in lithiated FeS2 by preventing Fe coarsening. This work provides a fundamental understanding and an effective strategy towards the microstructure evolution for boosting lithium storage performances for other metal sulfide‐based materials.
Continuous Electrochemical Synthesis of Iso‐Coumarin Derivatives from o‐(1‐Alkynyl) Benzoates under Metal‐ and Oxidant‐Free
Authors: Lin Xinxin , Fang Zheng , Zeng Cuilian , Zhu Chenlong , Pang Xinyan , Liu Chengkou , He Wei , Duan Jindian , Qin Ning , Guo Kai
Published: May 2020

A non‐oxidant and metal‐free strategy for synthesizing iso‐coumarin by using a continuous electrochemical microreactor to initiate an oxidative cyclization reaction of o‐(1‐alkynyl) benzoate and radicals. This efficient and clean continuous electrosynthesis method not only avoids the complicated gas protection operation and production of by‐products in the batch processes, but also help to overcome the difficulty that batch metal catalysis and electrocatalysis are difficult to scale up, and has the potential for pilot‐scale experiment.
Lactic fermentation of cooked navy beans by Lactobacillus paracaseiCBA L74 aimed at a potential production of functional legume‐based foods
Authors: Colucci Cante Rosa , Gallo Marianna , Nigro Federica , Passannanti Francesca , Salameh Dana , Budelli Andrea , Nigro Roberto
Published: May 2020

In recent years, scientific interest in the development of non‐dairy‐based functional foods is increasing progressively and the fermentation of cereals, legumes, fruits and vegetable‐based foods is becoming an important scientific research topic for the production of new probiotic products. In particular, legumes represent a possible alternative to protein foods from animal origins and an adequate fermentation substrate as they contain high amount of nutrients, such as proteins, carbohydrates, fibres, vitamins, and minerals, which are all useful to the growth and metabolic activity of certain microorganisms. This work focuses on the feasibility of developing a dry legume‐based functional product using a fermentation process carried out on a 10% w/v navy bean suspension, in a lab‐scale stirred batch reactor. After soaking and cooking dried navy beans, the fermentation tests performed on the resulting medium using Lactobacillus paracasei CBA L74 showed a maximum bacterial count of 109 CFU/mL after 20 hours and a maximum lactic acid concentration of 1.9 g/L after 16 hours of process time. A freeze‐drying process was performed on the fermented bean suspension, showing a 2‐log microbial reduction and a bacterial viability in the resulting probiotic powder of 3.7 × 108 CFU/g.
Greener Routes to Biomass Waste Valorization: Lignin Transformation Through Electrocatalysis for Renewable Chemicals and Fuels Production
Authors: Garedew Mahlet , Lin Fang , Song Bing , DeWinter Tamara M. , Jackson James E. , Saffron Christopher M. , Lam Chun Ho , Anastas Paul T.
Published: May 2020

Lignin valorization is essential for biorefineries to produce fuels and chemicals for a sustainable future. Today's biorefineries pursue profitable value propositions for cellulose and hemicellulose; however, lignin is typically used mainly for its thermal energy value. To enhance the profit potential for biorefineries, lignin valorization would be a necessary practice. Lignin valorization is greatly advantaged when biomass carbon is retained in the fuel and chemical products and when energy quality is enhanced by electrochemical upgrading. Though lignin upgrading and valorization are very desirable in principle, many barriers involved in lignin pretreatment, extraction, and depolymerization must be overcome to unlock its full potential. This Review addresses the electrochemical transformation of various lignins with the aim of gaining a better understanding of many of the barriers that currently exist in such technologies. These studies give insight into electrochemical lignin depolymerization and upgrading to value‐added commodities with the end goal of achieving a global low‐carbon circular economy.
Synthesizing High‐Capacity Oxyfluoride Conversion Anodes by Direct Fluorination of Molybdenum Dioxide (MoO2)
Authors: Thapaliya Bishnu P. , Self Ethan C. , Jafta Charl J. , Borisevich Albina Y. , Meyer Harry M. , Bridges Craig A. , Nanda Jagjit , Dai Sheng
Published: May 2020

High‐capacity metal oxide conversion anodes for lithium‐ion batteries (LIBs) are primarily limited by their poor reversibility and cycling stability. In this study, a promising approach has been developed to improve the electrochemical performance of a MoO2 anode by direct fluorination of the prelithiated MoO2. The fluorinated anode contains a mixture of crystalline MoO2 and amorphous molybdenum oxyfluoride phases, as determined from a suite of characterization methods including X‐ray diffraction, Raman spectroscopy, and X‐ray photoelectron spectroscopy, and scanning transmission electron microscopy. Electrochemical measurements indicate that fluorination facilitates the conversion reaction kinetics, which leads to increased capacity, higher coulombic efficiency, and better cycling stability as compared to the nonfluorinated samples. These results suggest that fluorination after prelithiation not only favors formation of the oxyfluoride phase but also improves the lithium‐ion diffusivity and reversibility of the conversion reaction, making it an attractive approach to address the problems of conversion electrodes. These findings provide a new route to design high‐capacity negative electrodes for LIBs.
Anonymous fecal sampling and NIRS studies of diet quality: Problem or opportunity?
Authors: Corlatti Luca
Published: May 2020

Investigating the drivers of diet quality is a key issue in wildlife ecology and conservation. Fecal near infrared reflectance spectroscopy (f‐NIRS) is widely used to assess dietary quality since it allows for noninvasive, rapid, and low‐cost analysis of nutrients. Samples for f‐NIRS can be collected and analyzed with or without knowledge of animal identities. While anonymous sampling allows to reduce the costs of individual identification, as it neither requires physical captures nor DNA genotyping, it neglects the potential effects of individual variation. As a consequence, regression models fitted to investigate the drivers of dietary quality may suffer severe issues of pseudoreplication. I investigated the relationship between crude protein and ecological predictors at different time periods to assess the level of individual heterogeneity in diet quality of 22 marked chamois Rupicapra rupicapra monitored over 2 years. Models with and without individual grouping effect were fitted to simulate identifiable and anonymous fecal sampling, and model estimates were compared to evaluate the consequences of anonymizing data collection and analysis. The variance explained by the individual random effect and the value of diet repeatability varied with seasons and peaked in winter. Despite the occurrence of individual variation in dietary quality, ecological parameter estimates under identifiable or anonymous sampling were consistently similar. This study suggests that anonymous fecal sampling may provide robust estimates of the relationship between dietary quality and ecological correlates. However, since the level of individual heterogeneity in dietary quality may vary with species‐ or study‐specific features, inconsequential pseudoreplication should not be assumed in other taxa. When individual differences are known to be inconsequential, anonymous sampling allows to optimize the trade‐off between sampling intensity and representativeness. When pseudoreplication is consequential, however, no conclusive remedy exists to effectively resolve nonindependence.
Effects of historical legacies on soil nematode communities are mediated by contemporary environmental conditions
Authors: Li Xianping , Chen Xiaoyun , Zhu Huimin , Ren Zhuhong , Jiao Jiaguo , Hu Feng , Liu Manqiang
Published: May 2020

Both contemporary and historical factors are documented to be crucial in regulating species diversity and distribution. Soil fauna contribute substantially to global biodiversity and ecosystem functioning, while it is unclear whether and to what extent historical factors shape their diversity patterns. Here, we used soil nematodes as a model organism to test historical effects on soil fauna and to investigate the relative importance of climatic, soil, and historical factors. Based on nematode distribution data in 16 natural sites at a large scale (ranging from 22 to 40°N) in mainland China, we conducted elastic net regression model to test the effects of climatic (e.g., mean and seasonality of temperature/precipitation), soil (e.g., soil carbon, nitrogen, and pH), and historical (e.g., temperature/precipitation anomaly and the velocity of the change since the Last Glacial Maximum) variables on nematode genus richness and Shannon's diversity. Additionally, variation partitioning was used to determine the contribution of the three predictor sets to the explanation of both Jaccard and Bray–Curtis community dissimilarity. We found that climate generally explained more variations in both diversity and composition than soil and historical predictors in our samples. We also showed that although historical factors (e.g., temperature change velocity) were correlated with nematode diversity and composition, the pure effects of these historical factors were negligible. In other words, the historical effects were commonly represented by their interactions with current climatic and soil factors within our selected sites. Our results indicated that contemporary factors, especially climate, may outperform historical factors in regulating soil nematode diversity patterns at large scales.
Ally confrontations as identity‐safety cues for marginalized individuals
Authors: Hildebrand Laura K. , Jusuf Celine C. , Monteith Margo J.
Published: May 2020

Three studies and an integrative data analysis (N = 1,017) demonstrated that confrontations (speaking up against a stereotypical or prejudiced statement), when affirmed by bystanders, serve as an effective safety cue for targets of bias. In Studies 1 and 2, Chinese‐American and White women witnessed anti‐Asian and sexist remarks, respectively. Results revealed that a lone confronter (i.e., a confronter not affirmed by others) was unable to boost identity‐safety (e.g., belonging, safety) compared to when the bias was not confronted, regardless of confronter identity (i.e., ally vs. ingroup confronter). Study 2 demonstrated that other people in the interaction group (i.e., bystanders) must affirm the confrontation for it to serve as an effective safety cue. Study 3 replicated and extended these results among White women for confrontation of sexism and Black women for confrontation of racism. Overall, these studies suggest that confrontations, when affirmed, can serve as a safety cue.
Addition of Pachira aquatica oil and Platonia insignis almond in cookies: Physicochemical and sensorial aspects
Authors: Silva Tania G. , Kasemodel Marcia G. C. , Ferreira Otávio M. , da Silva Rogério C. L. , Souza Clitor J. F. , Sanjinez‐Argandona Eliana J.
Published: May 2020

This article investigated the use of Pachira aquatica (PA) fat and Platonia insignis (PI) nuts as ingredients in the preparation of cookies. Seven formulations containing PA fat and/or PI nuts were studied by changing the formulation proposed by AACC, and samples were evaluated considering physical–chemical, microbiological, and sensory characteristics. Formulations F1, F4, and F5 showed higher mass loss and lower expansion factor after cooking. Formulations F4, F6, and F7 presented a greater increase in diameter. In turn, formulations F5, F6, and F7 presented greater thickness. The content of fatty acids varied according to the composition of each biscuit, and formulations 2 and 3 presented the best lipid profile (oleic acid ~32%). In addition, it was observed that the addition of PI almond increased the fiber content (~7.15%). The sensory evaluation showed that formulation F5 obtained a score of 5, proving that the partial replacement of hydrogenated vegetable fat with PA fat and grated coconut with PI almond favored the panelists' purchasing decision. The results indicate that unconventional sources of lipids and nuts can be used without loss of quality in biscuits.
Nondestructive monitoring storage quality of apples at different temperatures by near‐infrared transmittance spectroscopy
Authors: Guo Zhiming , Wang Mingming , Shujat Ali , Wu Jingzhu , El‐Seedi Hesham R. , Shi Jiyong , Ouyang Qin , Chen Quansheng , Zou Xiaobo
Published: May 2020

Apple is the most widely planted fruit in the world and is popular in consumers because of its rich nutritional value. In this study, the portable near‐infrared (NIR) transmittance spectroscopy coupled with temperature compensation and chemometric algorithms was applied to detect the storage quality of apples. The postharvest quality of apples including soluble solids content (SSC), vitamin C (VC), titratable acid (TA), and firmness was evaluated, and the portable spectrometer was used to obtain near‐infrared transmittance spectra of apples in the wavelength range of 590–1,200 nm. Mixed temperature compensation method (MTC) was used to reduce the influence of temperature on the models and to improve the adaptability of the models. Then, variable selection methods, such as uninformative variable elimination (UVE), competitive adaptive reweighted sampling (CARS), and successive projections algorithm (SPA), were developed to improve the performance of the models by determining characteristic variables and reducing redundancy. Comparing the full spectral models with the models established on variables selected by different variable selection methods, the CARS combined with partial least squares (PLS) showed the best performance with prediction correlation coefficient (Rp) and residual predictive deviation (RPD) values of 0.9236, 2.604 for SSC; 0.8684, 2.002 for TA; 0.8922, 2.087 for VC; and 0.8207, 1.992 for firmness, respectively. Results showed that NIR transmittance spectroscopy was feasible to detect postharvest quality of apples during storage.
Biodiesel Production using Lewis Catalysts under Ultrasonic Activation
Authors: Kolet Mirit , Zerbib Daniel , Molina Karen , Nakonechny Faina , Nisnevitch Marina
Published: May 2020

Biodiesel can be produced by transesterification of oil triglycerides, as well as by esterification of fatty acids using feedstock materials rich in free fatty acids)FFAs). Utilization of such feedstocks can gain substantial economical profit and solve a problem of disposal of residual raw materials. To find an effective method of biodiesel production from FFA, we developed esterification of FFAs under ultrasonic activation using Lewis acids as catalysts. Homologous catalyst BF3 and heterogeneous AlCl3 were highly effective in reactions of model FFAs methylation under ultrasonic activation, when the reaction yield reached 100 %. Ethylation at the same conditions was less successful.
Severe necrosis of the glans penis associated with calciphylaxis treated by partial penectomy
Authors: Tezuka Masato , Mizusawa Hiroya , Tsukada Manabu , Mimura Yuji , Shimizu Takaaki , Kobayashi Aya , Takahashi Yasufumi , Maejima Toshitaka
Published: May 2020

Introduction

Calciphylaxis is characterized by marked vascular calcification and painful skin ulcers, and it has a poor prognosis.

Case presentation

The patient was a 72‐year‐old male. He was referred for penile pain. He had a 4‐year history of dialysis therapy under a diagnosis of diabetic nephropathy. Black and yellow necrosis was observed involving the entire glans, accompanying severe pain. Computed tomography revealed marked calcification involving the thoracoabdominal aorta to iliac arteries, the dorsal artery of the penis and the corpus cavernosum, leading to a diagnosis of calciphylaxis. Penile pain gradually exacerbated and partial penectomy was performed. After surgery, penile pain promptly subsided. Pathological examination confirmed marked calcification of the microvascular wall and narrowing of the lumen.

Conclusion

We reviewed 15 Japanese patients with calciphylaxis who had undergone penile surgery. Surgical treatment was considered to be effective at relieving penile pain, but the prognosis remained poor.
Current status and perspectives regarding the association between allergic disorders and cancer
Authors: Fereidouni Mohammad , Ferns Gordon A. , Bahrami Afsane
Published: May 2020

While activation of immune system may lead to a lower risk of some diseases, it has been shown that a history of atopic allergic disorders such as asthma, hay fever, eczema, and food allergies could be related to several types of cancer. However, the evidence is not entirely conclusive. Two proposals suggest a possible mechanism for the association between allergic disorders and cancers: immune surveillance and the antigenic stimulation. The association of allergy and cancer may vary by cancer site and the type of exposure. The aim of current review was to summarize the current knowledge of the association between allergic diseases and the risk of cancers with particular emphasis on case–controls and cohort studies to estimate the cancer risk associated with allergy.
Multisite cell‐ and neural‐dynamics‐resolving deep brain imaging in freely moving mice with implanted reconnectable fiber bundles
Authors: Pochechuev Matvey S. , Solotenkov Maxim A. , Fedotov Ilya V. , Ivashkina Olga I. , Anokhin Konstantin V. , Zheltikov Aleksei M.
Published: May 2020

We demonstrate a reconnectable implantable ultraslim fiber‐optic microendoscope that integrates a branching fiber bundle (BFB) with gradient‐index fiber lenses, enabling a simultaneous fluorescence imaging of individual cells in distinctly separate brain regions, including brain structures as distant as the neocortex and hippocampus. We show that fluorescence images of individual calcium‐indicator‐expressing neurons in the brain of freely moving transgenic mice can be recorded, via the implanted BFB probe, in parallel with time‐ and cell‐resolved traces of calcium signaling, thus enabling correlated circuit‐dynamics studies at ‐multiple sites within the brain of freely moving animals.
Use of hemostatic agents for surgical bleeding in laparoscopic partial nephrectomy: Biomaterials perspective
Authors: Pacheco Margarida , Barros Alexandre A. , Aroso Ivo M. , Autorino Riccardo , Lima Estêvão , Silva Joana M. , Reis Rui L.
Published: May 2020

In recent years, there was an abrupt increase in the incidence of renal tumors, which prompt up the appearance of cutting‐edge technology, including minimally invasive and organ‐preserving approaches, such as laparoscopic partial nephrectomy (LPN). LPN is an innovative technique used to treat small renal masses that have been gaining popularity in the last few decades due to its promissory results. However, the bleeding control remains the main challenge since the majority of currently available hemostatic agents (HAs) used in other surgical specialities are inefficient in LPN. This hurried the search for effective HAs adapted for LPN surgical peculiarities, which resulted on the emergence of different types of topical HAs. The most promising are the natural origin HAs because of their inherent biodegradability, biocompatibility, and lowest toxicity. These properties turn them top interests' candidates as HAs in LPN. In this review, we present a deep overview on the progress achieved in the design of HAs based on natural origin polymers, highlighting their distinguishable characteristics and providing a clear understanding of their hemostat's role in LPN. This way it may be possible to establish a structure–composition properties relation, so that novel HAs for LPN can be designed to explore current unmet medical needs.
Semisolid vs Liquid Nutrients and 30‐Day Readmission in Gastrostomy Tube–Fed Patients: A Propensity‐Matched Analysis
Authors: Shinozaki Nana , Morita Kojiro , Matsui Hiroki , Jo Taisuke , Yasunaga Hideo
Published: May 2020

Background

Semisolid nutrients have been widely used to prevent complications related to enteral nutrition (EN) in Japan. However, there are few data on the effect of feeding semisolid nutrient preparations. We compared 30‐day readmission rates of gastrostomy tube–fed patients who had been prescribed semisolid vs liquid nutrients on discharge.

Methods

This is a retrospective observational study using a Japanese nationwide inpatient database of data entered between June 2014 and March 2018. We identified patients aged ≥18 years who had received EN through gastrostomy during hospitalization. Patients were classified as having been prescribed semisolid vs liquid EN on discharge. After one‐to‐one propensity score matching, all‐cause 30‐day readmission rates were compared between the 2 groups.

Results

In total, 5331 patients were identified, including a semisolid‐nutrients group (n = 2089) and a liquid‐nutrients group (n = 3242). Propensity score matching created 1912 pairs. The 30‐day readmission rates were 15.6% and 13.9% in the semisolid‐nutrients and liquid‐nutrients groups, respectively. No significant difference was observed between the groups (risk difference, 1.7%; 95% CI, −0.6 to 4.0%; P = .14).

Conclusion

All‐cause 30‐day readmission of patients receiving gastrostomy tube feeding did not differ between those prescribed semisolid vs liquid nutrients on discharge. Randomized controlled trials are needed to accurately determine the effect of semisolid nutrients on clinical outcomes.
ASPEN Lipid Injectable Emulsion Safety Recommendations, Part 1: Background and Adult Considerations
Authors: Mirtallo Jay M. , Ayers Phil , Boullata Joseph , Gura Kathleen M. , Plogsted Steven , Anderson Collin R. , Worthington Patricia , Seres David S. , Nicolai Emily , Alsharhan Mohammad , Gutsul Liliia , Mason Angelina E.
Published: May 2020

Lipid injectable emulsions (ILEs) are complex pharmaceutical formulations used as a source of energy and essential fatty acids in parenteral nutrition. Issues associated with ILE use are distinctly different from oral fat and arise from emulsion stability, dose, and infusion tolerance. Since 1975, soybean oil has been the consistent source oil used in ILE formulations in the US. Partly because of safety concerns with the soybean‐based ILE and frequent and long‐standing problems with product inventory shortages, new ILE products have become available. Gaps in ILE best practices create a risk for ILE safety errors in prescribing, compounding, and administration of these products. This paper provides information on appropriate indications, dosing, and methods to avoid potential errors with ILE products in the US. This paper (Part 1) will focus on ILE background, information, and recommendations for adult patients, whereas Part 2 of this series will focus on neonatal and pediatric patient–specific information.
Dielectric barrier discharge plasma treatment affects stability, metal ion coordination, and enzyme activity of bacterial superoxide dismutases
Authors: Krewing Marco , Jung Christoph K. , Dobbelstein Elena , Schubert Britta , Jacob Timo , Bandow Julia E.
Published: May 2020

A molecular‐level understanding of the effects of atmospheric‐pressure plasma on biological samples requires knowledge of the effects on proteins. Superoxide dismutases, which detoxify superoxide under oxidative stress conditions, play a key role in bacterial plasma resistance. Investigation of the impact of dielectric barrier discharge (DBD) treatment on purified superoxide dismutases SodA and SodB of Escherichia coli showed that DBD treatment caused a rapid protein degradation, with only 8% of protein remaining after 10 min. The affinity of SodA for the metal cofactor Mn2+ was reduced. Mass spectrometry, in conjunction with coupled‐cluster calculations, revealed that modifications of amino acid residues in the active site can explain the decreased metal affinity and a distortion of the coordination geometry responsible for the activity loss.
A conjugate BFGS method for accurate estimation of a posterior error covariance matrix in a linear inverse problem
Authors: Niwa Yosuke , Fujii Yosuke
Published: May 2020

One effective data assimilation/inversion method is the four‐dimensional variational method (4D‐Var). However, it is a non‐trivial task for a conventional 4D‐Var to estimate a posterior error covariance matrix. This study proposes a method to estimate a posterior error covariance matrix applied to the linear inverse problem of an atmospheric constituent. The method was constructed within a 4D‐Var framework using a quasi‐Newton method with the Broyden–Fletcher–Goldfarb–Shanno (BFGS) algorithm. The proposed method was constructed such that conjugacy among the set of increment vector pairs was ensured. It is theoretically demonstrated that, when this conjugate property is coupled with preconditioning, an analytical solution of a posterior error covariance matrix could be obtained from the same number of vector pairs as observations. Furthermore, to accelerate the speed of convergence, the method can be coupled with an ensemble approach. By performing a simple advection test, it was confirmed that the proposed method could obtain an analytical matrix of the posterior error covariance within the same number of iterations as the observations. Furthermore, the method was also evaluated using an atmospheric CO2 inverse problem, which demonstrated its practical utility. The evaluation revealed that the proposed method could provide accurate estimates not only of the diagonal but also of the off‐diagonal elements of the posterior error covariance matrix. Although far more expensive than optimal state estimation, the computational efficiency was found to be reasonable for practical use, especially in conjunction with an ensemble approach. The accurate estimation of a posterior error covariance matrix resulting from the proposed method could provide valuable quantitative information regarding the uncertainties of estimated variables as well as the observational impacts, which would be beneficial for designing observation networks. Furthermore, error correlations derived from the estimated off‐diagonal elements could benefit the interpretation of optimised parameter variations.
Determination of Martensite Start Temperature of High‐Speed Steels Based on Thermodynamic Calculations
Authors: Platl Jan , Leitner Harald , Turk Christoph , Schnitzer Ronald
Published: May 2020

High‐speed steels (HSS) exhibit a microstructure that comprises a martensitic matrix with carbides. Due to the generally high thermal stability of carbides, it is necessary to perform hardening at very high austenitizing temperatures. Nevertheless, there are certain carbides in HSS that are not dissolved. Therefore, the composition of the austenite, which can be transformed into martensite, is significantly different from the alloys’ nominal composition. Consequently, commonly applied formulae for the calculation of martensite start temperature cannot be used for HSS. The current study demonstrates how empirical formulae, which are basically applied for low‐alloyed steels, where no carbides are present at austenitizing temperature, can be modified for high‐alloyed HSS by applying thermodynamic calculations. Thermo‐Calc software is utilized to calculate the composition of the austenite at two different austenitizing temperatures, and with these compositions are calculated subsequently. For experimental verification, of four alloys, which are quenched from these austenitizing temperatures, are determined using dilatometry. The experimental results show good agreement with the corresponding thermodynamic equilibrium calculations. Furthermore, the results reveal that Co does not raise as predicted by the commonly applied empirical formulae. Therefore, adapted formulae for HSS in a wide composition range are proposed.
Variation in Reproductive Investment among Ohio Reservoir Largemouth Bass Populations
Authors: Pritt Jeremy J. , Zweifel Richard D. , Tyszko Stephen M. , Conroy Joseph D.
Published: May 2020

Reproductive investment, expressed in terms of fecundity and egg quality produced by individual female fish, varies among populations for many species, reflecting plasticity in life history strategies related to intraspecific density dependence or environmental variability. Fisheries scientists and managers have long sought to understand differences in Largemouth Bass Micropterus salmoides population dynamics, yet basic life history traits, such as variation in reproductive investment, remain largely unknown. We determined the fecundity–weight and ovary energy density–weight relationships (where fecundity indexes egg quantity and ovary energy density indexes egg quality) for Largemouth Bass populations from 19 Ohio reservoirs and examined factors that were correlated with population‐specific differences. We found that both relationships varied among reservoir populations, with some interannual variation in reservoirs sampled in multiple years. We then related fecundity and ovary energy density to (1) population characteristics, including population density (as indexed by standard shoreline boat electrofishing CPUE, fish/h) and growth (as indexed by the growth coefficient k from the von Bertalanffy growth function); and (2) reservoir characteristics, including reservoir size (as surface area) and productivity (as Secchi transparency depth). We found that populations with greater fecundity also exhibited greater ovary energy density, indicating that the quantity and quality of reproductive output were greater in some populations than in others. Populations with high reproductive investment were associated with low Largemouth Bass density, fast growth, large reservoir size, and high productivity (i.e., low Secchi transparency). The among‐population variation in reproductive investment provides evidence of density‐dependent control of fecundity and egg quality.
Synthesis, Structures, Thermal and Luminescence Properties of Zn and Cd Halide Coordination Polymers with 2‐Cyanopyrazine
Authors: Jess Inke , Neumann Tristan , Terraschke Huayna , Gallo Gianpiero , Dinnebier Robert , Näther Christian
Published: May 2020

Reaction of MX2 (M = Cd, Zn; X = Cl, Br, I) with 2‐cyanopyrazine leads to the formation of compounds with the composition CdX2(2‐cyanopyrazine)2 (X = Cl; CdCl, X = Br; CdBr and X = I; CdI) and ZnX2(2‐cyanopyrazine)2 (X = Cl; ZnCl, X = Br; ZnBr and X = I; ZnI/I). In the crystal structures of the Cd compounds and in ZnCl, the metal cations are octahedrally coordinated and are linked into chains by the halide anions via common edges. In contrast, in the crystal structures of ZnBr and ZnI/I the metal cations are tetrahedrally coordinated into discrete complexes. Further investigations show that a second modification of ZnCl2(2‐cyanopyrazine)2 exists (ZnI/II), which is formed by kinetic control. The thermal properties of the 2‐cyanopyrazine rich compounds were investigated by TG‐DTA and temperature dependent XRPD measurements. Upon heating the Cd compounds, all 2‐cyanopyrazine ligands are removed in a single step with no indication of the formation of a 2‐cyanopyrazine deficient phase. A similar behavior is observed for ZnI, whereas for ZnCl and ZnBr, TG‐DTA measurements suggest the formation of a 2‐cyanopyrazine deficient phase that, in case of ZnBr, cannot be isolated and, for ZnCl, cannot be obtained pure. The emission of these compounds is shifted from the blue to orange depending on the crystal structure and the nature of the halide anion.
Mono‐Phosphazenyl Phosphines (R2N)3P=N–P(NR2)2 – Strong P‐Bases, P‐Donors, and P‐Nucleophiles for the Construction of Chelates
Authors: Kögel Julius F. , Ullrich Sebastian , Kovačević Borislav , Wagner Sebastian , Sundermeyer Jörg
Published: May 2020

We present a convenient three‐step synthesis of amino substituted phosphazenyl phosphines of the general formula (R2N)3P=N–P(NR2)2 [NR2 = N(CH2)4, N(CH2)5, N(CH2)6]. These easily accessible mixed valent compounds display a surprisingly high proton affinity and basicity in the same range as the corresponding Schwesinger diphosphazene (Me2N)3P=N–P=NEt(NMe2)2 (Et‐P2) and Verkade's proazaphosphatrane superbases. Within the central [PIII–N=PV] scaffold, the phosphine PIII and not the phosphazene NIII atom is the center of highest proton affinity, basicity and donor strength. As P‐bases, the title compounds display calculated proton affinities between 265.8 (NR2 = NMe2) and 274.7 kcal·mol–1 [NR2 = N(CH2)4] and pKBH+ values between 26.4 (NR2 = NMe2) and 31.5 [NR2 = N(CH2)4] on the acetonitrile scale. As P‐nucleophiles, they are key intermediates in the synthesis of hyperbasic bis(diphosphazene) proton sponges, chiral bis(diphosphazene) proton pincers, bisphosphazides, and superbasic P2‐bisylides. Their Staudinger reactions as nucleophile towards 1,8‐diazidonaphthalene leading to 1,8‐naphthalene‐bisphosphazides is described in detail. The donor strength of the title compounds towards fragments [Se] and [Ni(CO)3] is in the same range as that of N‐heterocyclic carbenes.
Intermediate Valence Behavior of Yb2Cu9Al8
Authors: Juckel Martin , Koželj Primož , Prots Yurii , Ormeci Alim , Burkhardt Ulrich , Leithe‐Jasper Andreas , Svanidze Eteri
Published: May 2020

Intermediate valence behavior is frequently observed in materials containing Ce, Yb, Eu, Sm, or Tm. In the current work, we report synthesis and characterization of Yb2Cu9Al8 (Th2Zn17 structure type). Its intermediate valence behavior can be described by an excitation energy Eex/kB = 319 K and a spin fluctuation temperature Tsf = 60 K. The valence state of Yb is estimated to be close to 2.04 for the low‐temperature region. The valence gradually evolves to the value of 2.80 at T = 400 K. The specific heat coefficient of γexp = 59 mJ·molYb–1·K–2 indicates a moderate effective mass enhancement, together with finite density of states at the Fermi level. The latter is also confirmed by the band structure calculations.
Outlook for the Future
Authors: Joshi C. , Caldwell A. , Muggli P. , Holmes S. D. , Shiltsev V. D.
Published: May 2020

The charge separation between electrons and ions that exists within an electron plasma density wave can create large electric fields. In 1979 Tajima and Dawson first recognized that the longitudinal component of the field of a so-called “relativistic” wave (one propagating with a phase velocity close toc), could be used to accelerate charged particles to high energies in a short distance [1]. The accelerating gradient of such a plasma wave,Eo, can be approximated—assuming a total separation of electrons and ions in such a wave with wavelengthλp = 2πc/ωp—as
Weyl metrics and Wiener-Hopf factorization
Authors: Aniceto P. , Câmara M.C. , Cardoso G.L. , Rosselló M.
Published: May 2020

Abstract

We consider the Riemann-Hilbert factorization approach to the construction of Weyl metrics in four space-time dimensions. We present, for the first time, a rigorous proof of the remarkable fact that the canonical Wiener-Hopf factorization of a matrix obtained from a general (possibly unbounded) monodromy matrix, with respect to an appropriately chosen contour, yields a solution to the non-linear gravitational field equations. This holds regardless of whether the dimensionally reduced metric in two dimensions has Minkowski or Euclidean signature. We show moreover that, by taking advantage of a certain degree of freedom in the choice of the contour, the same monodromy matrix generally yields various distinct solutions to the field equations. Our proof, which fills various gaps in the existing literature, is based on the solution of a second Riemann-Hilbert problem and highlights the deep role of the spectral curve, the normalization condition in the factorization and the choice of the contour. This approach allows us to construct explicit solutions, including new ones, to the non-linear gravitational field equations, using simple complex analytic results.
New $$ \mathcal{N} $$= 2 superspace Calogero models
Authors: Krivonos Sergey , Lechtenfeld Olaf , Sutulin Anton
Published: May 2020

Abstract

Starting from the Hamiltonian formulation of

$$ \mathcal{N} $$

N

= 2 supersymmetric Calogero models associated with the classical A

n

, B

n

, C

n
and D

n
series and their hyperbolic/trigonometric cousins, we provide their superspace description. The key ingredients include n bosonic and 2n(n−1) fermionic

$$ \mathcal{N} $$

N

= 2 superfields, the latter being subject to a nonlinear chirality constraint. This constraint has a universal form valid for all Calogero models. With its help we find more general supercharges (and a superspace Lagrangian), which provide the

$$ \mathcal{N} $$

N

= 2 supersymmetrization for bosonic potentials with arbitrary repulsive two-body interactions.
Charges and holography in 6d (1,0) theories
Authors: Bergman Oren , Fazzi Marco , Rodríguez-Gómez Diego , Tomasiello Alessandro
Published: May 2020

Abstract

We study the recently proposed AdS
7/CFT6 dualities for a class of 6d

$$ \mathcal{N} $$

N

= (1, 0) theories that flow on the tensor branch to long linear quiver gauge theories. We find a precise agreement in the symmetries and in the spectrum of charged states between the 6d SCFTs and their conjectured AdS
7 duals. We also confirm a recent conjecture that a discrete S

N
symmetry relating the baryons in the quiver theories is in fact gauged.
Modeling radio-frequency energy-induced heating due to the presence of transcranial electric stimulation setup at 3T
Authors: Kozlov Mikhail , Horner Marc , Kainz Wolfgang , Weiskopf Nikolaus , Möller Harald E.
Published: May 2020

Purpose

The purpose of the present study was to develop a numerical workflow for simulating temperature increase in a high-resolution human head and torso model positioned in a whole-body magnetic resonance imaging (MRI) radio-frequency (RF) coil in the presence of a transcranial electric stimulation (tES) setup.

Methods

A customized human head and torso model was developed from medical image data. Power deposition and temperature rise (ΔT) were evaluated with the model positioned in a whole-body birdcage RF coil in the presence of a tES setup. Multiphysics modeling at 3T (123.2 MHz) on unstructured meshes was based on RF circuit, 3D electromagnetic, and thermal co-simulations. ΔT was obtained for (1) a set of electrical and thermal properties assigned to the scalp region, (2) a set of electrical properties of the gel used to ensure proper electrical contact between the tES electrodes and the scalp, (3) a set of electrical conductivity values of skin tissue, (4) four gel patch shapes, and (5) three electrode shapes.

Results

Significant dependence of power deposition and ΔT on the skin’s electrical properties and electrode and gel patch geometries was observed. Differences in maximum ΔT (> 100%) and its location were observed when comparing the results from a model using realistic human tissue properties and one with an external container made of acrylic material. The electrical and thermal properties of the phantom container material also significantly (> 250%) impacted the ΔT results.

Conclusion

Simulation results predicted that the electrode and gel geometries, skin electrical conductivity, and position of the temperature sensors have a significant impact on the estimated temperature rise. Therefore, these factors must be considered for reliable assessment of ΔT in subjects undergoing an MRI examination in the presence of a tES setup.
Right ventricular free wall longitudinal strain and strain rate quantification with cardiovascular magnetic resonance based tissue tracking
Authors: Qu Yang-Yang , Li Hao , Rottbauer Wolfgang , Ma Gen-Shan , Buckert Dominik , Rasche Volker
Published: May 2020

Cardiovascular magnetic resonance based tissue tracking (CMR-TT) was reported to provide detailed insight into left ventricular mechanical features. However, inadequate knowledge of the right ventricle (RV) mechanical deformation has been acquired by this advanced technique so far. It was the aim of this study to establish reference values of RV free wall (RVFW) global, regional and segmental longitudinal peak strain and strain rate (LS and LSR), and to investigate the gender- and age-related difference as well as the base-to-apex gradient of RVFW-LS and LSR with CMR-TT. 150 healthy volunteers (75 males/females) were retrospectively and continuously recruited and subdivided into three age groups (G20–40, G41–60 and G61–80). RVFW global, regional (basal, middle-cavity and apical) and segmental LS (GLS, RLS, SLS) along with systolic and diastolic LSR were generated by post-hoc CMR-TT analysis of standard steady-state free precession long-axis four-chamber view cine images acquired at 1.5T field strength. The reference value of myocardial RVFW-GLS was − 24.9 ± 5.2%. We found that females showed more negative GLS than males except in the youngest group, and no age-related difference of GLS was observed in both gender groups. RLS and SLS presented with the same age-related tendency as GLS. The basal and middle-cavity LS were similar between each other and significantly larger than apical LS. RVFW-GLSR resulted as − 1.73 ± 0.58 s−1 and 1.69 ± 0.65 s−1 during systolic and diastolic phases, respectively. The diastolic GLSR of males tended to decline with the ageing and was significantly lower than that of females in G61–80 group. Regional and segmental LSR showed significant gender-related differences in certain basal and apical region/segments without any age-related effects. CMR-TT overcomes the difficulty in measuring RV global and segmental deformation. The establishment of the vendor-, gender- and segment-specific reference values of RVFW-LS and LSR is essential for the rapid and efficient utilization of CMR-TT modality in the clinical routine.