bluuebunny/crossref_metadata_2025_split huggingface dataset:
Three in One: The Versatility of Hydrogen Bonding Interaction in Halide Salts with Hydroxy‐Functionalized Pyridinium Cations
Authors: Al Sheakh Loai , Niemann Thomas , Villinger Alexander , Stange Peter , Zaitsau Dzmitry H. , Strate Anne , Ludwig Ralf 
Published: July 2021

AbstractThe paradigm of supramolecular chemistry relies on the delicate balance of noncovalent forces. Here we present a systematic approach for controlling the structural versatility of halide salts by the nature of hydrogen bonding interactions. We synthesized halide salts with hydroxy‐functionalized pyridinium cations [HOCnPy]+ (n=2, 3, 4) and chloride, bromide and iodide anions, which are typically used as precursor material for synthesizing ionic liquids by anion metathesis reaction. The X‐ray structures of these omnium halides show two types of hydrogen bonding: ‘intra‐ionic’ H‐bonds, wherein the anion interacts with the hydroxy group and the positively charged ring at the same cation, and ‘inter‐ionic’ H‐bonds, wherein the anion also interacts with the hydroxy group and the ring system but of different cations. We show that hydrogen bonding is controllable by the length of the hydroxyalkyl chain and the interaction strength of the anion. Some molten halide salts exhibit a third type of hydrogen bonding. IR spectra reveal elusive H‐bonds between the OH groups of cations, showing interaction between ions of like charge. They are formed despite the repulsive interaction between the like‐charged ions and compete with the favored cation‐anion H‐bonds. All types of H‐bonding are analyzed by quantum chemical methods and the natural bond orbital approach, emphasizing the importance of charge transfer in these interactions. For simple omnium salts, we evidenced three distinct types of hydrogen bonds: Three in one!
High‐Throughput Computational Analysis of Biofilm Formation from Time‐Lapse Microscopy
Authors: Salama Ola E. , Gerstein Aleeza C. 
Published: July 2021

AbstractCandida albicans biofilm formation in the presence of drugs can be examined through time‐lapse microscopy. In many cases, the images are used qualitatively, which limits their utility for hypothesis testing. We employed a machine‐learning algorithm implemented in the Orbit Image Analysis program to detect the percent area covered by cells from each image. This is combined with custom R scripts to determine the growth rate, growth asymptote, and time to reach the asymptote as quantitative proxies for biofilm formation. We describe step‐by‐step protocols that go from sample preparation for time‐lapse microscopy through image analysis parameterization and visualization of the model fit. © 2021 Wiley Periodicals LLC.Basic Protocol 1: Sample preparationBasic Protocol 2: Time‐lapse microscopy: Evos protocolBasic Protocol 3: Batch file renamingBasic Protocol 4: Machine learning analysis of Evos images with OrbitBasic Protocol 5: Parametrization of Orbit output in RBasic Protocol 6: Visualization of logistic fits in R
The potential to breed a low‐protein maize for protein‐restricted diets
Authors: Woore Matthew S. , Flint‐Garcia Sherry A. , Holland James B. 
Published: July 2021

AbstractInborn errors of amino acid metabolism, such as phenylketonuria (PKU), are human genetic conditions that result in an inability to metabolize certain amino acids, requiring lifelong maintenance of a very restrictive low‐protein diet. In the case of PKU, this diet does not permit consumption of most maize (Zea mays L.) products, yet maize is a major part of the human diet and is especially significant in some cultures. Kernel protein content, and to a lesser extent amino acid composition, is variable in maize. Breeding maize for low kernel protein content or low amounts of specific amino acids such as phenylalanine might expand the restrictive diets and improve quality of life for people with amino acid metabolic disorders. To test the potential of breeding low‐protein‐content maize, diverse samples of hybrid or open‐pollinated cultivars and inbreds were evaluated across two locations in two years for grain protein content and amino acid composition. Consistent with previous reports, kernel protein content varied widely across maize varieties and is highly heritable in the broad sense. We found that phenylalanine content (as a proportion of grain weight) and phenylalanine composition (as a proportion of total protein) are also highly heritable in the broad sense. As previously reported, reasonably accurate estimation of protein content is possible with near‐infrared spectrophotometry, whereas measuring phenylalanine content requires a destructive, costly, and time‐consuming laboratory analysis. Because phenylalanine content was strongly correlated with total kernel protein, breeding primarily aimed at reducing grain protein content should permit efficient selection of maize cultivars sufficiently low in phenylalanine to permit broader inclusion in the PKU diet.
A Waste‐Minimized Approach to Cassar‐Heck Reaction Based on POLITAG‐Pd0 Heterogeneous Catalyst and Recoverable Acetonitrile Azeotrope
Authors: Valentini Federica , Ferlin Francesco , Tomarelli Elena , Mahmoudi Hamed , Bagherzadeh Mojtaba , Calamante Massimo , Vaccaro Luigi 
Published: July 2021

AbstractThree different Pd0‐based heterogeneous catalysts were developed and tested in the Cassar–Heck reaction (i. e., copper‐free Sonogashira reaction) aiming at the definition of a waste minimized protocol. The cross‐linked polymeric supports used in this investigation were designed to be adequate for different reaction media and were decorated with different pincer‐type ionic ligands having the role of stabilizing the formation and dimension of palladium nanoparticles. Among the ionic tags tested, bis‐imidazolium showed the best performances in terms of efficiency and durability of the metal catalytic system. Eventually, aqueous acetonitrile azeotrope was selected as the reaction medium as it allowed the best catalytic efficiency combined with easy recovery and reuse. Finally, the synergy between the selected catalyst and reaction medium allowed to obtain highly satisfactory isolated yields of a variety of substrates while using a low amount of metal catalyst. The high performance of the designed POLymeric Ionic TAG (POLITAG)‐Pd0, along with its good selectivity achieved in a copper‐free process, also led to a simplified purification procedure allowing the minimization of the waste generated as also proven by the very low E‐factor values (1.4–5) associated.
Nandrolone and estradiol biomarkers identification in bovine urine applying a liquid chromatography high‐resolution mass spectrometry metabolomics approach
Authors: Ouzia Saadia , Royer Anne‐Lise , Pezzolato Marzia , Benedetto Alessandro , Biasibetti Elena , Guitton Yann , Le Bizec Bruno , Bozetta Elena , Dervilly Gaud 
Published: July 2021

AbstractWith the aim of specifically investigating patterns associated with three steroid treatments (17β‐nandrolone, 17β‐estradiol, and 17β‐nandrolone + 17β‐estradiol) in bovine, an reversed phase liquid chromatography (RPLC)‐electrospray ionization (ESI)(+/−)‐high‐resolution mass spectrometry (HRMS) study was conducted to characterize the urinary profiles of involved animals. Although specific fingerprints with strong differences could be highlighted between urinary metabolite profiles within urine samples collected on control and treated animals, it appeared further that significant discriminations could also be observed between steroid treatments, evidencing thus specific patterns and candidate biomarkers associated to each treatment. An MS‐2 structural elucidation step enabled level‐1 identification of two biomarkers mainly involved in energy pathways, in relation to skeletal muscle functioning. These results make it possible to envisage a global strategy for the detection of anabolic practices involving steroids, while at the same time providing clues as to the compounds used, which would facilitate the confirmation stage to follow.
Effects of tree mortality on the estimation of stemflow yield in a self‐thinning coniferous plantation
Authors: Jeong Seonghun , Otsuki Kyoichi 
Published: July 2021

AbstractTree mortality by self‐thinning is an inevitable consequence of the long residence times of standing trees in unmanaged coniferous plantations. Stemflow (SF) is an important localized input of rainwater into the soil in forest ecosystems. However, little information is available on how tree mortality affects SF yields. We took weekly measurements from 16 trees in a 20 × 10 m plot containing 50 trees in a dense unmanaged Japanese cypress plantation from April to October 2017. These 16 trees were classified into two groups: standing‐live SF trees (n = 11, tree height [H]: 13.4 ± 1.1 m, DBH: 18.5 ± 3.8 cm, crown projection area [CPA]: 5.4 ± 0.8 m2, average ± standard deviation) and standing‐dead SF trees (n = 5, H: 7.9 ± 1.4 m, DBH: 10.0 ± 1.9 cm, CPA: 0.0 ± 0.0 m2). Because the smaller standing‐dead trees with no crown were all positioned under the canopy of standing‐live trees, the mean tree‐scale SF volume (SFVtree) of standing‐dead trees was approximately 10.3 times smaller than that of standing‐live trees. The much smaller SFVtree of standing‐dead trees was also explained by the basal area (3.5‐fold smaller) and the tree‐scale SF funnelling ratio (FRtree, 2.9‐fold smaller). SFVtree of standing‐dead trees was so small that the ratio of stand‐scale SF (SFstand) to gross rainfall (GR) (SFstand/GR) was similar regardless of whether standing‐dead trees were excluded or included (21.4% vs. 21.6%) in SFstand calculations, indicating that SFstand/GR could be reliably estimated using only standing‐live trees.
Interlaboratory method validation of capillary electrophoresis sodium dodecyl sulfate (CE‐SDS) methodology for analysis of mAbs
Authors: Li Meng , Yu Chuanfei , Wang Wenbo , Wu Gang , Wang Lan 
Published: July 2021

AbstractCapillary electrophoresis sodium dodecyl sulfate (CE‐SDS) is an analytical method to assess the purity of proteins, commonly applied to monoclonal antibodies (mAbs) in the biopharmaceutical industry. To address the need to standardize the CE‐SDS method in the pharmaceutical industry and to enhance the confidence in method transfer between laboratories operating different commercial capillary electrophoresis (CE) instrument platforms, an interlaboratory CE‐SDS method validation was organized involving 13 laboratories in 13 companies on four different types of commercial capillary electrophoresis instruments. In the validation, a commercial mAb therapeutic was used as the sample. The validation process followed the analytical guidelines set by the ICH guidelines (International Conference for Harmonisation of Technical Requirements for Pharmaceuticals for Human Use). The method's precision, accuracy, linearity and range, and limit of quantitation (LOQ) were validated in the study. Variations of all the parameters validated in the study passed the pre‐set criteria defined at the beginning of the study. The definition was based on previously published works and the intended application purpose of the CE‐SDS method for mAbs. The study proved that the CE‐SDS method fits its intended application purpose as a size impurity assay and size heterogeneity characterization assay for mAb therapeutic products. This study is the first time a CE‐SDS method is validated by multiple laboratories using different commercial CE instrument platforms and on a commercial mAb therapeutic. Its results will enhance the confidence of the biopharmaceutical industry to develop CE‐SDS methods and transfer CE‐SDS methods between different laboratories.
Electrochemical immunosensing of Growth arrest‐specific 6 in human plasma and tumor cell secretomes
Authors: Muñoz‐San Martín Cristina , Pérez‐Ginés Víctor , Torrente‐Rodríguez Rebeca M. , Gamella Maria , Solís‐Fernández Guillermo , Montero‐Calle Ana , Pedrero María , Serafín Verónica , Martínez‐Bosch Neus , Navarro Pilar , García de Frutos Pablo , Batlle Montserrat , Barderas Rodrigo , Pingarrón José M. , Campuzano Susana 
Published: July 2021

AbstractGrowth arrest‐specific 6 (GAS6) protein plays a key role in processes related to proliferation, inflammation, angiogenesis, and atherosclerotic plaque formation. In addition, it has been reported that plasma levels of GAS6 are related to cancer prognosis and other relevant pathologies, such as heart failure or sepsis. We report here the first electrochemical immunoplatform for the determination of GAS6, which has demonstrated to be competitive with other available methodologies in terms of cost, simplicity, and decentralized application. The developed immunoplatform involves a sandwich immunoassay using magnetic microparticles (MBs) and uses amperometric detection at disposable screen‐printed carbon electrodes (SPCEs). The MBs were modified with an antibody specific to GAS6 for its selective capture, which is further recognized by a biotinylated secondary antibody subsequently labeled with a streptavidin‐horseradish peroxidase (Strep‐HRP) conjugate. The electrochemical detection was carried out using the hydroquinone (HQ)/H2O2 system. The developed bioplatform exhibits a great selectivity and low limit of detection (27 pg/mL) that allowed the determination of the GAS6 circulating level in plasma samples from patients suffering heart failure (HF) and diagnosed with pancreatic ductal adenocarcinoma (PDAC), as well as the determination of the target protein in raw secretomes of human colorectal cancer cell lines.
Leveraging a cloud‐based testbed and software‐defined networking for cybersecurity and networking education
Authors: Rahouti Mohamed , Xiong Kaiqi , Lin Jing 
Published: July 2021

AbstractNowadays, real‐world learning modules become vital components in computer science and engineering in general and cybersecurity in particular. However, as student enrollments have been dramatically increasing, it becomes more challenging for a university/college to keep up with the quality of education that offers hands‐on experiment training for students thoroughly. These challenges include the difficulty of providing sufficient computing resources and keep them upgraded for the increasing number of students. In order for higher education institutions to conquer such challenges, some educators introduce an alternative solution. Namely, they develop and deploy virtual lab experiments on the clouds such as Amazon AWS and the Global Environment for Network Innovations (GENI), where students can remotely access virtual resources for lab experiments. Besides, Software‐Defined Networks (SDN) are an emerging networking technology to enhance the security and performance of networked communications with simple management. In this article, we present our efforts to develop learning modules via an efficient deployment of SDN on GENI for computer networking and security education. Specifically, we first give our design methodology of the proposed learning modules, and then detail the implementations of the learning modules by starting from user account creation on the GENI testbed to advanced experimental GENI‐enabled SDN labs. It is worth pointing out that in order to accommodate students with different backgrounds and knowledge levels, we consider the varying difficulty levels of learning modules in our design. Finally, student assessment over these pedagogical efforts is discussed to demonstrate the efficiency of the proposed learning modules.
Reduction of fire spalling of concrete with small doses of polypropylene fibres
Authors: McNamee Robert , Sjöström Johan , Boström Lars 
Published: July 2021

SummaryThe addition of polypropylene (PP) fibres has been shown to reduce the fire spalling propensity of concrete. When including this type of fibres in the concrete, the concrete mix becomes less robust, and small deviations in the constitutes change the workability and properties of the concrete. So, from a manufacturing perspective as small dosages as possible of PP fibres are desirable. Very few large‐scale fire resistance tests of concrete loaded in compression exist showing the function of PP fibres at low dosages on concrete mixes sensitive to spalling if no fibres are added. In this paper, results from 26 fire tests are presented and analysed. The test results are from four different experimental campaigns, but all the mixes have in common that the water‐to‐cement ratio is 0.40. The results show that an amount of only 0.6 kg/m3 PP fibres has a significant effect on the spalling propensity and that even lower amounts reduce the spalling although they do not eliminate it entirely. During one of the fire tests on large slabs loaded in compression, unloaded small cubes of the same mixes were also included in the furnace. None of the small specimens spalled, whereas some of the corresponding large slabs spalled beyond the layer of reinforcement. This illustrates that tests on small, unloaded specimens are not relevant when assessing fire spalling of larger cross‐sections loaded in compression.
The out‐of‐pocket medication burden: Which health problems impact the Czech population aged 50+?
Authors: Kočiš Krůtilová Veronika 
Published: July 2021

AbstractAdults 50‐years‐old and greater form the group most vulnerable to a high burden from payments for medication. These Czech older adults devote around 60% of out‐of‐pocket payments for medication, which might influence their consumption patterns and access to health care. This paper extends the empirical evidence of the out‐of‐pocket burden and catastrophic payments by addressing the consumption of medication among the Czech population aged 50 and higher. Data from the Survey of Health, Ageing and Retirement in Europe, wave 6, is used. A generalised linear model is applied for estimating the out‐of‐pocket medication burden; a binary logistic regression is used for the investigation of catastrophic medication expenditure. The results showed that medications for pain, joint pain/joint inflammation, anxiety and depression, heart diseases and high blood pressure are robust predictors for the medication burden and risk factors for catastrophic payments. Special attention should also be paid to medications for suppressing inflammation and sleep problems. Despite universal coverage in the Czech Republic, taking medications for specific health problems, especially those related to the nervous system, influences the well‐being of older individuals. Policy makers should revise the prescription practice and related reimbursement policies and reconsider current protection from the high medication burden.
Establishing realistic exposure estimates of solitary bee larvae via pollen for use in risk assessment
Authors: Pamminger Tobias , Schneider Christof , Maas Raffael , Bergtold Matthias 
Published: July 2021

Abstract
Bees foraging in agricultural habitats can be exposed to plant protection products. To limit the risk of adverse events, a robust risk assessment is needed, which requires reliable estimates for the expected exposure. The exposure pathways to developing solitary bees in particular are not well described and, in the currently proposed form, rely on limited information. To build a scaling model predicting the amount of protein developing solitary bees need based on adult body weight, we used published data on the volume of pollen solitary bees provide for their offspring. This model was tested against and ultimately updated with additional literature data on bee weight and protein content of emerged bees. We rescaled this model, based on the known pollen protein content of bee-visited flowers, to predict the expected amount of pollen a generalist solitary bee would likely provide based on its adult body weight, and tested these predictions in the field. We found overall agreement between the models' predictions and the measured values in the field, but additional data are needed to confirm these initial results. Our study suggests that scaling models in the bee risk assessment could complement existing risk assessment approaches and facilitate the further development of accurate risk characterization for solitary bees; ultimately the models will help to protect them during their foraging activity in agricultural settings. Integr Environ Assess Manag 2022;18:308–313. © 2021 The Authors. Integrated Environmental Assessment and Management published by Wiley Periodicals LLC on behalf of Society of Environmental Toxicology & Chemistry (SETAC).
KEY POINTS
This paper provides estimates for protein and pollen provisions for solitary bee larvae. The predictions are supported by Osmia bicornis pollen collection under field and semifield conditions.
Approach to veterinary management of adult camelids
Authors: Lopez Brina 
Published: July 2021

Background: Camelids are gaining in popularity globally and have versatile purposes that range from fibre production to companion animals. As such, veterinary surgeons must be capable of providing basic veterinary services, including the development of nutrition and herd health programmes, performing foot and teeth trims, as well as castration. Notably, the medications described in this article are not licensed for camelids and their use should be discussed in detail with the owner and written consent obtained before their use.Aim of the article: This article provides guidance on approaching the key veterinary services that practitioners can offer to camelid farmers.
In vivo spectroscopic photoacoustic imaging and laser‐induced nanoparticle vaporization for anti‐HER2 breast cancer
Authors: Wang Yanjie , Fadhel Muhannad N. , Hysi Eno , Pastenak Maurice , Sathiyamoorthy Krishnan , Kolios Michael C. 
Published: July 2021

AbstractThis study reports on the development and application of theragnostic agents targeting the HER2 receptors in breast tumors. The agent was constructed by loading silica‐coated gold nanorods (GNRs) and a perfluorohexane liquid into PLGA‐PEG nanoparticles, followed by surface conjugation with antibody Herceptin. The particle uptake in human breast cancer MDA‐MB‐231 (HER2‐negative) and BT474 (HER2‐positive) cell lines was tested. A proof of principle in vivo study was also performed using a xenograft mouse bilateral tumor model (16 mice, 32 tumors). Photoacoustic imaging was performed using a VevoLAZR device at 720/750/850 nm illuminations and 21 MHz central frequency. The relative concentrations of GNRs in the tumor were quantified using a linear spectral unmixing technique. The therapeutic efficacy of these nanoparticles was evaluated through optical droplet vaporization, and cell damage was confirmed using tissue immunofluorescence and histology. Our results demonstrate the potential of PLGA‐GNRs as theragnostic agents for anti‐HER2 breast cancer therapy.
Retracted: Modern problems of youth extremism: Social and psychological components
Authors: Lyzhin Anton I. , Sharov Anton A. , Lopez Elena G. , Melnikov Semyon G. , Zaynullina Victoria T. 
Published: July 2021

AbstractNowadays, the global community is confronted by an acute problem of extremism associated with the growing intolerance, aggression and hostility of modern society. The ways extremism manifests among youth, who is perceptive and sensitive to extremism due to age peculiarities, are understudied. The purpose of the study is to identify psychological characteristics, which are preconditions and elements of extremism among young people. The research methods are theoretical and methodological analysis, survey methods, methods of mathematical and statistical data processing. Illegal behaviour, a propensity to take risks appeared to be the prerequisites for display of extremist elements among full‐time young employees. The research results can be used for scientific and methodologically assurance of psychological and pedagogic support of students, tactics to prevent extremism among young people.