bluuebunny/crossref_metadata_2025 huggingface dataset:
Cascade Multicomponent Reaction Involving Unprecedented Gould Jacobs‐Heck/Suzuki Coupling‐Hydrolysis‐Decarboxylation Reactions in One Pot: Rapid Synthesis of Hybrid Heterocyclic Molecules
Authors: Thopate Yogesh , Singh Richa , Rastogi Sumit K. , Sinha Arun K.
Published: June 2022

Multicomponent reaction (MCR) has been one of the strong pillars of green chemistry. In this respect we herein report a multicomponent 5 step reaction in one pot by combining two known name reactions viz. Gould‐Jacobs reaction and Heck reaction for the synthesis of stilbene/biaryl‐quinolone hybrid molecules from readily available 4‐iodoaniline, (diethyl‐2‐(ethoxymethylene)malonate) EMME and styrene/aryl boronic acid. The use of diphenyl ether as a reaction solvent effectively mediated not only the Gould‐Jacobs reaction but surprisingly also the Heck reaction for the first time. Further, diphenyl ether also allowed easy isolation of crude product due to polar nature of the product via precipitation. The developed protocol thus offered unprecedented synthesis of hybrid molecules by converging five steps (Gould‐Jacobs reaction, Heck or Suzuki cross coupling, hydrolysis and decarboxylation) into one pot with simultaneous generation of C−C and C−N bonds besides cleavage of C−O and C−C bonds.
Organometallic Synthesis of Magnetic Metal Nanoparticles
Authors: Estrader Marta , Soulantica Katerina , Chaudret Bruno
Published: June 2022

Magnetic nanoparticles (NPs) are attractive both for their fundamental properties and for their potential in a variety of applications ranging from nanomedicine and biology to micro/nanoelectronics and catalysis. While these fields are dominated by the use of iron oxides, reduced metal NPs are of interest since they display high magnetization and adjustable anisotropy according to their size, shape and composition. The use of organometallic precursors makes it possible to adjust the size, shape (sphere, cube, rod, wire, urchin, …) and composition (alloys, core–shell, composition gradient, dumbbell, …) of the resulting NPs and hence their magnetic properties. We discuss here the synthesis of magnetic metal NPs from organometallic precursors carried out in Toulouse, as well as their associated properties and their potential in applications.
Probe Synthesis Reveals Eukaryotic Translation Elongation Factor 1 Alpha 1 as the Anti‐Pancreatic Cancer Target of BE‐43547A2
Authors: Liu Can , Wang Liang , Sun Yuanjun , Zhao Xiuhe , Chen Tianyang , Su Xiuwen , Guo Hui , Wang Qin , Xi Xiaonan , Ding Yahui , Chen Yue
Published: June 2022

The natural product, BE‐43547A2, decreases pancreatic cancer cell stemness. However, its anticancer molecular mechanisms have not been fully established. Based on structure–activity relationships of BE‐43547A2, we synthesized a probe and investigated its potential targets using an in situ click reaction. We found that BE‐43547A2 exerts its anticancer effects by covalently binding the cysteine234 (C234) residue of eukaryotic translation elongation factor 1 alpha 1 (eEF1A1). This binding mode was confirmed by a series of experiments including a xenograft mouse model. We also determined that eEF1A1 plays an important role in regulating pancreatic cancer cell stemness. Analyses of 99 clinical pancreatic cancer samples revealed that eEF1A1 expressions are closely correlated with clinicopathological grade and patient survival. In conclusion, eEF1A1 is involved in pancreatic cancer progression and is therefore, a promising novel covalent target for pancreatic cancer treatment.
Helping reviewers assess statistical analysis: A case study from analytic methods
Authors: Kenett Ron S. , Francq Bernard G.
Published: June 2022

Analytic methods development, like many other disciplines, relies on experimentation and data analysis. Determining the contribution of a paper or report on a study incorporating data analysis is typically left to the reviewer's experience and good sense, without reliance on structured guidelines. This is amplified by the growing role of machine learning driven analysis, where results are based on computer intensive algorithm applications. The evaluation of a predictive model where cross validation was used to fit its parameters adds challenges to the evaluation of regression models, where the estimates can be easily reproduced. This lack of structure to support reviews increases uncertainty and variability in reviews. In this paper, aspects of statistical assessment are considered. We provide checklists for reviewers of applied statistics work with a focus on analytic method development. The checklist covers six aspects relevant to a review of statistical analysis, namely: (1) study design, (2) algorithmic and inferential methods in frequentism analysis, (3) Bayesian methods in Bayesian analysis (if relevant), (4) selective inference aspects, (5) severe testing properties and (6) presentation of findings. We provide a brief overview of these elements providing references for a more elaborate treatment. The robustness analysis of an analytical method is used to illustrate how an improvement can be achieved in response to questions in the checklist. The paper is aimed at both engineers and seasoned researchers.
Evaluation of plant‐based oils for production of offset printing ink
Authors: Hayta Pelin , Oktav Mehmet , Ateş Duru Özlem
Published: June 2022

The oils and solvents are the main components of the printing ink, and the chemical composition of the ink could be harmful or toxic to human health and the environment. Therefore, there is an increasing demand to develop inks containing green, biobased, sustainable, and renewable raw materials instead of petrochemical substances. In this study, flaxseed oil (FO), pomegranate seed oil, plum kernel oil (PKO), and grape seed oil (GSO) were selected to produce offset printing inks. Pinus pinaster (P. pinaster) resin was also used in the formulation of inks to examine the effects of natural resin on ink together with vegetable oils. The phenolic content was analyzed for the resin and oils to figure out their potential antioxidant and bioactive characteristics. Optical and rheological tests were applied to evaluate the printability of the inks. L*a*b*, ΔE, density, and gloss tests were performed for optical evaluation. The viscosity, tack, and rub resistance tests were applied to perform rheological analysis. The biobased, environmental friendly, and self‐drying (cold set) offset printing inks were obtained using natural pine resin and three different plant‐based oils FO, PKO, and GSO. The printability analysis of the inks figured out the potential usage of plant‐based oils in the offset printing ink formulation.
A comparison of shear‐mixing and solvent‐induced on phase behavior, thermal and dielectric properties of PVDF‐HFP/MOF composites
Authors: Paramee Samanya , Guo Ruyan , Bhalla Amar S. , Manuspiya Hathaikarn
Published: June 2022

The effects of processing techniques significantly alter on the electroactive β‐phase, thermal, and dielectric behavior of polymer composites. The metal–organic framework filler (C3N2H5)(Mg(HCOO)3), HImMg is prepared and introduced into poly(vinylidenefluoride‐co‐hexafluoropropylene) (PVDF‐HFP) matrix using two distinguished methods: melt‐mixing and solution‐casting methods. The processing conditions are important in determining the dominant phase in PVDF‐HFP. As a result of solvent‐induced crystallization, the β‐phase content of solution‐cast composites containing 10% HImMg is 22% higher than that of melt‐mixed composites. In both methods, the nucleating effect of HImMg particles increases the overall crystallinity of the polymer matrix and enhances the dielectric constant in composite films by improving the interfacial and dipolar polarization. Furthermore, the melt‐mixed composites with 7 wt% HImMg demonstrate the highest dielectric constant of 17.8 at 1 kHz, showing an enhancement of 59% compared with that of pristine PVDF‐HFP. Meanwhile, the dielectric loss is suppressed at 0.083. These findings suggest the possibility of enhancing composites' electroactive phase and dielectric properties without mechanical stretching or a large electrical field.
Light‐induced hydrogels derived from poly(ethylene glycol) and acrylated methyl ricinoleate as biomaterials
Authors: Cakir Hatir Pinar
Published: June 2022

Hydrogels are hydrophilic crosslinked polymer networks that can absorb large amounts of water. They are used as biomaterials in numerous tissue engineering applications. Considering environmental awareness, the synthesis of biomaterials from renewable resources through green fabrication methods is essential. This study produces thermoresponsive hydrogels from a castor oil‐based monomer, acrylated methyl ricinoleate, and poly(ethylene glycol) via an environmentally friendly synthesis method. A photopolymerization technique is used with a very short reaction time. Characterization of the hydrogels is performed using thermogravimetric analysis, scanning electron microscopy, and Fourier‐transform infrared spectroscopy. Swelling and deswelling profiles are subsequently analyzed. A maximum equilibrium swelling degree of 271% is reached within 30 min. In vitro cytotoxicity assays of the hydrogels and the degradation products are performed to evaluate the biocompatibility. The hydrogels are biocompatible because the cell survival of all hydrogel samples and degradation products is greater than 100% and 85%, respectively. Consequently, the thermoresponsive hydrogels made from renewable raw materials in a green process offer interesting platforms for building biomaterials such as actuators for lab‐on‐a‐chip devices, microfluidics, drug delivery systems, preclinical drug screening models, and regenerative medicine.
Ancient DNA extraction methods for herbarium specimens: When is it worth the effort?
Authors: Marinček Pia , Wagner Natascha D. , Tomasello Salvatore
Published: June 2022

Premise

Herbaria harbor a tremendous number of plant specimens that are rarely used for molecular systematic studies, largely due to the difficulty in extracting sufficient amounts of high‐quality DNA from the preserved plant material.

Methods

We compared the standard Qiagen DNeasy Plant Mini Kit and a specific protocol for extracting ancient DNA (aDNA) (the N‐phenacylthiazolium bromide and dithiothreitol [PTB–DTT] extraction method) from two different plant genera (Xanthium and Salix). The included herbarium materials covered about two centuries of plant collections. To analyze the success of DNA extraction using each method, a subset of samples was subjected to a standard library preparation as well as target‐enrichment approaches.

Results

The PTB–DTT method produced a higher DNA yield of better quality than the Qiagen kit; however, extracts from the Qiagen kit over a certain DNA yield and quality threshold produced comparable sequencing results. The sequencing resulted in high proportions of endogenous reads. We were able to successfully sequence 200‐year‐old samples.

Discussion

This method comparison revealed that, for younger specimens, DNA extraction using a standard kit might be sufficient. For old and precious herbarium specimens, aDNA extraction methods are better suited to meet the requirements for next‐generation sequencing.
The financial maintenance of social science data archives: Four case studies of long‐term infrastructure work
Authors: Eschenfelder Kristin R. , Shankar Kalpana , Downey Greg
Published: June 2022

Contributing to the literature on knowledge infrastructure maintenance, this article describes a historical longitudinal analysis of revenue streams employed by four social science data organizations: the Roper Center for Public Opinion, the Inter‐university Consortium for Political and Social Research (ICPSR), the UK Data Archive (UKDA), and the LIS Cross‐National Data Center in Luxembourg (LIS). Drawing on archival documentation and interviews, we describe founders' assumptions about revenue, changes to revenue streams over the long term, practices for developing and maintaining revenue streams, the importance of financial support from host organizations, and how the context of each data organization shaped revenue possibilities. We extend conversations about knowledge infrastructure revenue streams by showing the types of change that have occurred over time and how it occurs. We provide examples of the types of flexibility needed for data organizations to remain sustainable over 40–60 years of revenue changes. We distinguish between Type A flexibilities, or development of new products and services, and Type B flexibilities, or continuous smaller adjustments to existing revenue streams. We argue that Type B flexibilities are as important as Type A, although they are easily overlooked. Our results are relevant to knowledge infrastructure managers and stakeholders facing similar revenue challenges.
Diagnosing autism in low‐income countries: Clinical record‐based analysis in Sri Lanka
Authors: Peiris Hashan , Wickramarachchi Darshana Chitraka , Samarasinghe Pradeepa , Vance Philip , Dahanayake Dulangi , Kulasekara Veerandi , Nadeeshani Madhuka
Published: June 2022

Use of autism diagnosing standards in low‐income countries (LICs) are restricted due to the high price and unavailability of trained health professionals. Furthermore, these standards are heavily skewed towards developed countries and LICs are underrepresented. Due to such constraints, many LICs use their own ways of assessing autism. This is the first retrospective study to analyze such local practices in Sri Lanka. The study was conducted at Ward 19B of Lady Ridgeway Hospital (LRH) using the clinical forms filled for diagnosing ASD. In this study, 356 records were analyzed, from which 79.5% were boys and the median age was 33 months. For each child, the clinical form together with the Childhood Autism Rating Scale (CARS) value were recorded. In this study, a Clinically Derived Autism Score (CDAS) is obtained from the clinical forms. Scatter plot and Pearson product moment correlation coefficient were used to benchmark CDAS with CARS, and it was found CDAS to be positively and moderately correlated with CARS. In identifying the significant variables, a logistic regression model was built based on clinically observed data and it evidenced that “Eye Contact,” “Interaction with Others,” “Pointing,” “Flapping of Hands,” “Request for Needs,” “Rotate Wheels,” and “Line up Things” variables as the most significant variables in diagnosing autism. Based on these significant predictors, the classification tree was built. The pruned tree depicts a set of rules, which could be used in similar clinical environments to screen for autism.

Lay Summary

Screening and diagnosing autism in low‐income countries such as Sri Lanka has always been a challenge due to limited resources and not being able to afford global standards. Due to these challenges, locally developed clinical forms have been used. This study is the first to analyze a clinical record set for autism in Sri Lanka to benchmark the local clinic form with a global standard. Furthermore, this study identifies the most significant diagnostic symptoms for children and based on these significant features, a simple set of IF–THEN rules are derived which could be used for screening autism in a similar clinical environment by health officials in the absence of consultants.
Highly Densified Fracture‐Free Silicon‐Based Electrode for High Energy Lithium‐Ion Batteries
Authors: Sung Jaekyung , Kim Namhyung , Kim Sang‐Pil , Lee Taeyong , Yoon Moonsu , Cho Jaephil
Published: June 2022

There has recently been an increasing volume of research in silicon‐based anodes for high energy density lithium‐ion batteries. Micron‐sized composites with high tap density and a number of pores accommodating the massive volume expansion of silicon (Si) exhibit considerable electrochemical performance with high volumetric energy density. However, huge pressure on the particle during the calendering process brings about mechanical failure which causes the formation of additional by‐products upon lithiation and electrical contact loss. Here, we discover specific particle size distribution based on the constructive simulation including calculation of the packing density depending on the different particle size distribution and stress evolution of each particle at high pressure. A silicon/graphite hybrid anode in which the silicon nanolayer (∼15 nm) is coated on the graphite is selected to validate the simulation. This anode sustains its morphological integrity and secures its void space without crack propagation of the silicon nanolayer in the densely packed electrode. As a result, it demonstrates high initial specific capacity (>500 mAh g−1), high initial Coulombic efficiency (95.2 %), low electrode swelling ratio (35 % at first cycle), and excellent capacity retention ratio (99.1 % during 50 cycles) for high energy density lithium‐ion batteries.
In‐utero cannabis exposure and long‐term psychiatric and neurodevelopmental outcomes: The limitations of existing literature and recommendations for future research
Authors: Sujan Ayesha C. , Young‐Wolff Kelly C. , Avalos Lyndsay A.
Published: June 2022

Given increases in cannabis use in pregnancy and animal model research showing effects of in‐utero cannabis exposure, high‐quality information on long‐term consequences of in‐utero cannabis exposure in humans is needed. While reviews have summarized findings from observational studies with humans, reviews have not focused on limitations of these studies and recommendations for future research. Therefore, we critically reviewed observational research on in‐utero cannabis exposure and psychiatric and neurodevelopmental outcomes measured at or after age 3 and provided recommendations for future research. We used Web of Science, Google Scholar, and work cited from relevant identified publications to identify 46 papers to include in our review. Our review includes two main sections. The first section highlights the extensive limitations of the existing research, which include small and nongeneralizable samples, reliance on self‐reported data, lack of detail on timing and amount of exposure, inclusion of older exposure data only, not accounting for important confounders, inclusion of potential mediators as covariates, not including outcome severity measures, and not assessing for offspring sex differences. The second section provides recommendations for future research regarding exposure and outcome measures, sample selection, confounder adjustment, and other methodological considerations. For example, with regard to exposure definition, we recommend that studies quantify the amount of cannabis exposure, evaluate the influence of timing of exposure, and incorporate biological measures (e.g., urine toxicology measures). Given that high‐quality information on long‐term consequences of in‐utero cannabis exposure in humans does not yet exit, it is crucial for future research to address the limitations we have identified.
Molecular characteristics of the multi‐functional FAO enzyme ACAD9 illustrate the importance of FADH2/NADH ratios for mitochondrial ROS formation
Authors: Speijer Dave
Published: June 2022

A decade ago I postulated that ROS formation in mitochondria was influenced by different FADH2/NADH (F/N) ratios of catabolic substrates. Thus, fatty acid oxidation (FAO) would give higher ROS formation than glucose oxidation. Both the emergence of peroxisomes and neurons not using FAO, could be explained thus. ROS formation in NADH:ubiquinone oxidoreductase (Complex I) comes about by reverse electron transport (RET) due to high QH2 levels, and scarcity of its electron‐acceptor (Q) during FAO. The then new, unexpected, finding of an FAO enzyme, ACAD9, being involved in complex I biogenesis, hinted at connections in line with the hypothesis. Recent findings about ACAD9's role in regulation of respiration fit with predictions the model makes: cementing connections between ROS production and F/N ratios. I describe how ACAD9 might be central to reversing the oxidative damage in complex I resulting from FAO. This seems to involve two distinct, but intimately connected, ACAD9 characteristics: (i) its upregulation of complex I biogenesis, and (ii) releasing FADH2, with possible conversion into FMN, the crucial prosthetic group of complex I. Also see the video abstract here: https://youtu.be/N7AT_HBNumg
Further evaluation of a decision‐making algorithm supporting visual analysis of time‐series data
Authors: Kril Darla N. , Brodhead Matthew T. , Moorehouse Amelia G.
Published: June 2022

Visual analysis is a cornerstone of decision‐making in Applied Behavior Analysis. Individuals responsible for implementing behavioral interventions and analyzing data are often behavior technicians who may not be provided with the training necessary to be proficient in visual analysis. Therefore, there is a need for an effective and streamlined method to train visual analysis. Previous research has suggested using a decision‐making algorithm (DMA) to aid individuals in making decisions about time‐series data. The current study further evaluated the effects of a DMA on accurate visual analysis of time‐series data. We presented graduate students with time‐series graphs, each graph depicting 10 data points which resembled one of the four options depicted in the DMA. The results indicated five of the six participants demonstrated an increase in correct responding when the DMA was introduced. One participant (Participant 4) required an asynchronous feedback session. Correct responding maintained for five of the six participants when the DMA was removed. Following the maintenance probe, high levels of percentage of correct responding maintained for four of the six participants.
Thermoluminescent Tb(III) and Dy(III) complexes with redox‐active ligands: experimental and theoretical study
Authors: Emelina Tatyana B. , Mirochnik Anatolii G.
Published: June 2022

Thermoluminescence and persistent luminescent materials with unique delayed emission have attracted much attention and exhibit great promise in optical information storage. In this manuscript, to reveal the thermoluminescence mechanism, a combined experimental and theoretical study of ternary Ln(NO3)2Acac(Phen)2 complexes, where Ln is Tb(III), Dy(III), Eu(III), Acac is acetylacetonate anion, and Phen is 1,10‐phenanthroline, was carried out. The terbium and dysprosium complexes had thermoluminescence properties, while the europium complex did not. A thermoluminescence mechanism is proposed: the powerful double π‐conjugate phenanthroline system appearance upon photoexcitation, the peculiarities of frontier orbitals, the abnormally small highest occupied molecular orbital–lowest unoccupied molecular orbital gap, and the geometrical changes in the terbium and dysprosium complexes led us to suggest that phenanthroline molecules serve as ‘chemical’ electron traps. Therefore, we succeeded in ‘freezing’ and storing the excited state of complexes I and II indefinitely. The obtained thermoluminescent materials with ‘chemical’ traps of electrons are capable of storing the energy from incident photons and exhibit a great opportunity in optical information storage and anticounterfeiting applications.
The all‐Wales forensic adolescent consultation and treatment service (FACTS): A 5‐year referral cohort study
Authors: Kalebic Natasha , Argent Sarah , Austin Harry , Bramley Lachlan , O’Connor Gwen , Hoskins Caroline , Willis Abigail , Withecomb Julie , Forrester Andrew , Morgan Peter , Taylor Pamela J.
Published: June 2022

Background

FACTS is a Wales‐wide mental health service for 10–17‐year‐olds with needs beyond the remit of mainstream child and adolescent mental health services (CAMHS). As a purely consultation‐liaison service, it differs from other UK services in the field.

Aims

To describe a complete cohort of referrals to FACTS 2013–2017 with service exit by June 2018.

Methods

Clinical, social and offending data were extracted from FACTS records.

Results

80 young people completed a FACTS episode, averaging nearly a year (309 days; range 13–859 days). Mostly boys (65, 81%) of mean age 15.4 years (range 9–18), two‐thirds (n = 53) had three or more referral reasons, one invariably being threatened/actual harm to others; only half were criminal‐justice involved. Half (41, 51%) were committing sexually harmful acts. Half were self‐harming (41, 51%). All but seven had had at least one adverse childhood experience (ACE), nearly half (35, 44%) four or more. Nevertheless, post‐traumatic stress disorder (PTSD) was rarely diagnosed (7, 9%); just over one‐quarter (23, 29%) had no diagnosis at all. Correspondence analyses endorsed two distinct Attention deficit hyperactivity disorder groups, distinguished by presence/absence of evidenced brain damage or dysfunction. Suicide‐related behaviours clustered with the other diagnoses, flashbacks and psychotic symptoms with no diagnosis. Change in home circumstances during a FACTS episode was slight.

Conclusions

The complexity of presenting problems and service involvement evidences need for FACTS. The extent of persistently harmful sexual behaviours is a novel finding, suggesting need for more expert input for this at other service levels. Rarity of PTSD diagnoses was surprising given the extent of ACEs. This raises concerns that services focus on disorder signs rather than the child's inner life. Given the extent of problems, minimal change may be a positive outcome – especially when remaining in the community. Further development of this service should include explicit case‐by‐case goals and indicative outcome markers.
Influence of Framework n(Si)/n(Al) Ratio on the Nature of Cu Species in Cu‐ZSM‐5 for NH3‐SCR‐DeNOx
Authors: Jabłońska Magdalena , Góra‐Marek Kinga , Bruzzese Paolo Cleto , Palčić Ana , Pyra Kamila , Tarach Karolina , Bertmer Marko , Poppitz David , Pöppl Andreas , Gläser Roger
Published: June 2022

Nanosized Cu‐containing ZSM‐5 catalysts with different n(Si)/n(Al) ratio of 18.9–50.5 were prepared by ion‐exchange. The physico‐chemical characterization clearly shows that the molar ratio of framework T atoms influences the nature and distribution of copper species. According to DR UV‐Vis, TPR‐H2, EPR, or FT‐IR spectroscopy analyses, the amount of aggregated copper species increases with increasing the framework n(Si)/n(Al) ratio. Thus, the activity of the Cu‐containing ZSM‐5 with n(Si)/n(Al) ratio of 47.0—50.5 in the selective catalytic NO reduction with NH3 (NH3‐SCR‐DeNOx) significantly decreases compared to the other materials (n(Si)/n(Al) ratio of 18.9—19.6). The reaction mechanism has been discussed in light of the results of 2D COS (two‐dimensional correlation spectroscopy) analysis of IR spectra and catalytic properties of the zeolites. The results make evident that enhanced activity of Cu‐containing ZSM‐5 in NH3‐SCR‐DeNOx is correlated with the formation of different NOx− under the experimental conditions.
Enhancing Potassium Storage Performance in VO2/V2O3@C Nanosheets by Synergistic Effect of Oxygen Vacancy and C‐O‐V Bond
Authors: Ouyang Dandan , Wang Chunyan , Yang Liuqian , Zhang Yue , Wang Ya‐nan , Zhu Hui , Yu Feng , Yin Jiao
Published: June 2022

The potassium‐ion battery (PIB) is regarded as a promising energy storage system to replace lithium‐ion battery, while the sluggish kinetics and large K+ size result in inferior rate performance and poor cycle stability, impeding its extensive development. Here, a carbon coated VO2/V2O3 nanoparticles (VO2/V2O3@C) was prepared by simple reflux and pyrolysis process with polyaniline as the carbon source. The C−O−V bond and the oxygen vacancy within VO2/V2O3@C can not only accelerate the charge transfer between carbon and VO2/V2O3 nanoparticles, but also increase the active sites. Therefore, VO2/V2O3@C as an anode for PIB exhibits an excellent rate (78 mAh g−1 at 0.5 A g−1) and long‐cycling performance (147.9 mAh g−1 at 50 mA g−1 after 1000 cycles), and the full cell PIB shows high power density and energy density as well. This work provides a pathway to design other high‐performance anodes for PIBs.
Tetrathienyl Corannulene Compounds with Highly Sensitive Photochromism
Authors: Yamada Mihoko , Sawazaki Tomoya , Fujita Mae , Asanoma Fumio , Nishikawa Yoshiko , Kawai Tsuyoshi
Published: June 2022

We have designed and synthesized photochromic tetrathienyl corannulene compounds, 1,2,7,8‐tetrakis(2‐methyl‐5‐phenylthiophen‐3‐yl)corannulene (1) and 1,2,7,8‐tetrakis(2,4‐dimethyl‐5‐phenylthiophen‐3‐yl)corannulene (2), by fusing two units of photochromic terarylene with a curved aromatic corannulene with a promising antenna effect. Compound 1 exhibited highly sensitive photoreactivity, with a large molar absorption coefficient of 8.2×104 M−1 cm−1 and practically photon‐quantitative photocyclization. On the other hand, a terarylene derivative with a planar aromatic phenanthrene, 9,10‐bis(2,4‐dimethyl‐5‐phenylthiophen‐3‐yl)phenanthrene (4) showed no photoreactivity. The reason for such a difference was attributed to the predominance of the photoreactive atropisomers amplified by energy migration, and the shortened distance between reactive carbons induced by the curved structure.
A multispecies 1D concentration distribution model for coarse‐particle slurries
Authors: Spelay Ryan B. , Hashemi Seyed A. , Gillies Randall G. , Sanders R. Sean
Published: June 2022

Coarse‐particle (settling) slurry pipelines are key process units in many industries. In Canada's oil sands operations, such pipelines represent hundreds of millions of dollars of infrastructure investment and transport thousands of tonnes of solids every hour. The ability to determine key design/operating parameters of a settling slurry, such as frictional pressure gradient and deposition velocity, is dependent on the accuracy of the concentration distribution model used to determine the local concentration of coarse solids as a function of vertical position within the pipe. Accurate predictions of the concentration profile are also required for physics‐based models of particle‐impact erosion in slurry pipelines. In this study, an improved concentration distribution model was developed. The classic Schmidt‐Rouse turbulent diffusion equation forms the basis for the model. The improvements made here include the use of a more suitable, high‐concentration hindered settling velocity correlation, and a simple semi‐empirical correlation for the particle diffusivity, which is shown to be dependent only upon the terminal particle settling velocity and the Kolmogorov turbulent velocity scale. The model is applicable to slurries with broad size distributions and/or species with different densities. The performance of the model is tested against numerous slurry flow conditions, including particles from 70 μm to 8 mm in diameter, pipe diameters of 76 mm ≤ D ≤ 500 mm, and in situ solids volume concentrations from 0.10 to 0.45. The concentration distribution predictions are shown to be in excellent agreement with the measurements.
Shaping future together – potential of an environmental citizen science project for science education
Authors: Lüsse Mientje , Brockhage Frauke , Beeken Marco , Pietzner Verena
Published: June 2022

Das Thema Nachhaltigkeit wird längst nicht mehr nur in der Wissenschaft, sondern auch in der Gesellschaft zunehmend breit diskutiert. An dieser Stelle setzt Citizen Science an und ermöglicht die aktive Teilnahme von Bürger:innen an aktuellen Forschungsthemen. Die Einbindung von Schüler:innen in Citizen Science‐Projekte birgt in vielerlei Hinsicht ein bedeutsames Potenzial, welches sich nicht nur hinsichtlich der Bildung für nachhaltige Entwicklung (BNE), sondern auch in der Förderung zahlreicher Basiskompetenzen naturwissenschaftlicher Fächer zeigt. Anhand eines Citizen Science‐Projekts zur Nitratbelastung von Gewässern werden konkrete Umsetzungsmöglichkeiten aufgezeigt.
Development of a low‐cost experiment for chemistry lessons using the example of the enzymatic fuel cell with lactase
Authors: Grandrath Rebecca , Bohrmann‐Linde Claudia
Published: June 2022

In dem Artikel wird das Prinzip der curricularen Innovationsforschung kurz dargelegt, ehe dieses anhand der enzymatischen Brennstoffzelle verdeutlicht wird: Zunächst wird die Themenwahl begründet. Anschließend werden ausgehend von einem in der fachdidaktischen Literatur vorgestellten System zur enzymatischen Brennstoffzelle mit β‐Glucoseoxidase und Laccase einzelne Stationen der Optimierung beziehungsweise der Neuentwicklung eines analogen Schulversuchs mit Lactase vorgestellt und Ausblick auf bestehende Implementationen gewährt. Der Beitrag schließt mit einer Einschätzung zur Eignung des Schulversuchs der enzymatischen Brennstoffzelle mit Lactase.
From the laboratory to the living room – KEMIE® in times of Corona
Authors: Zellmer Stefan , Schlüter Bert , Blau Jeannette , Lewalter Doris , Sommer Katrin
Published: June 2022

Die Corona‐Pandemie hat mit „Lernen auf Distanz“ eine neue Form des Lernens etabliert. Auch außerschulische Lernorte mussten auf diese Form des Lernens zurückgreifen, was die Frage aufwirft, ob das Erleben der Basic Needs bei einem experimentellen Lernarrangement in Distanz in ähnlicher Weise ausgeprägt ist wie bei einem Präsenzformat. Die Untersuchung wird mit einem Fragebogen im etablierten, experimentellen Lernarrangement KEMIE® durchgeführt. Die Ergebnisse zeigen, dass die Distanzeinheiten häufig mit mindestens ebenso hohen Ausprägungen der Basic Needs verbunden sind. Insbesondere bei der erlebten Autonomie mit der Facette Selbstbestimmtheit liegen die Werte der Distanzeinheit über denen der Präsenzeinheit. Es kann geschlussfolgert werden, dass bei der Übertragung eines bestehenden Konzeptes ohne große Änderungen aus dem Labor in das heimische Wohnzimmer unter der Beachtung weniger Grundsätze das Erleben der Basic Needs weiterhin gewährleistet werden kann.
Preparing an ATP/P (n‐BuMA‐St)/Fe3O4 Oil‐Absorbing Resin Composite via a Double Pickering Emulsion Template Method and Elucidation of Its Properties
Authors: Chun Tong Yong , Yun Wang Qing , Feng Min , Ling He Qiao , Liu Yun
Published: June 2022

Numerous methods have been used for preparing porous materials; however, these techniques can not uniformly incorporate inorganic additives into the pore structure. Therefore, a novel method has been presented to fabricate an oil‐absorbing resin composite with three‐dimensional porous structure by using a double Pickering emulsion template. First, an oil‐in‐water‐in‐oil double Pickering emulsion was prepared using attapulgite (ATP) and modified Fe3O4. Second, the Pickering emulsion was employed as a template to synthesize the ATP/P(n‐BuMA‐St)/Fe3O4 oil‐absorbing resin composite by utilizing butyl methacrylate (n‐BuMA) and styrene (St) as comonomers, divinylbenzene as the crosslinking agent, and benzoyl peroxide as the initiator. Finally, the oil absorption performance of the resin composite was explored. The oil absorption ratio of the resin goes up to 754.75 %, while its oil retention rate approximately equals 84 %; when the mass ratio of St and poly (butyl methacrylate) is 2 : 1, the mass percentages of crosslinking agent, initiator, emulsifier, and ATP are observed to be 2 %, 0.4 %, 3 %, and 0.6 %, respectively. Overall, this work provides a novel strategy for preparing an oil‐absorbing composite resin, which is expected to be popularized and utilized for oil spill remediation and oily wastewater treatment.
Trouble in NY: Opioid settlement money in danger of being co‐opted
Authors: Knopf Alison
Published: June 2022

The New York legislature took steps to make sure that the opioid settlement money did not suffer the same fate as the Master Settlement Agreement between the tobacco industry and the states, in which the money which was supposed to go to treatment for tobacco‐related diseases went instead into the states' general treasuries. The legislature guaranteed that an independent advisory board would make recommendations on how the opioid settlement money would be spent. But the first batch of that money, $208 million, appears to be disappearing into a state‐run secret system in which the advisory board is being shafted.
Induced mutations in ASPARAGINE SYNTHETASE‐A2 reduce free asparagine concentration in the wheat grain
Authors: Alarcón‐Reverte Rocío , Xie Yucong , Stromberger John , Cotter Jennifer D. , Mason Richard Esten , Pearce Stephen
Published: June 2022

Acrylamide is a neurotoxin and probable carcinogen formed as a processing contaminant during baking and production of different foodstuffs, including bread products. The amino acid asparagine is the limiting substrate in the Maillard reaction that produces acrylamide, so developing wheat (Triticum aestivum L.) cultivars with low free asparagine concentrations in the grain is a promising approach to reduce dietary acrylamide exposure. A candidate gene approach was used to identify chemically induced genetic variation in ASPARAGINE SYNTHETASE 2 (ASN2) genes that exhibit a grain‐specific expression profile. In field trials, durum and common wheat lines carrying asn‐a2 null alleles exhibited reductions in free asparagine concentration in their grains of between 9 and 34% compared with wildtype sister lines. These plants showed no significant differences in spikelet number, grain size and weight, germination or baking quality traits. These nontransgenic variants can be deployed without regulatory oversight in elite wheat germplasm to reduce acrylamide‐forming potential with no negative effects on quality or agronomic performance.
Click chemistry‐based synthesis of new benzenesulfonamide derivatives bearing triazole ring as selective carbonic anhydrase II inhibitors
Authors: Ewies Ewies F. , Sabry Eman , Bekheit Mohamed S. , Fouad Marwa A. , Vullo Daniela , Supuran Claudiu T.
Published: June 2022

A series of 1,2,3‐triazol‐1‐ylbenzenesulfonamide derivatives was designed, synthesized and their ability to inhibit several carbonic anhydrase isoforms was evaluated. The basis of our design is to hybridize the benzenesulfonamide moiety widely used as a zinc‐binding group, a triazole ring as spacer with a tail of different substituted aryl moieties. The synthesis of these compounds was achieved using Cu(I)‐mediated click chemistry between the azide containing the benzenesulfonamide pharmacophore and various aryl acetylenes or 1,6‐heptadiyne through copper‐catalyzed [3+2] cycloaddition reaction. The ability the new derivatives to inhibit four human carbonic anhydrase isoforms hCA I, II, IX, and XII was evaluated. All the compounds exhibited good potency and high selectivity towards isoforms hCA I and II more than isoforms hCA IX and XII, especially for the derivatives 3c and 3j that displayed Ki of 2.8 and 3.8 nM against hCA II and a high hCA II selectivity ratio ranging from 77.6 to 3571.4 over other isoforms. All the compounds were docked in the active site of the downloaded hCA II active site and their binding pattern confirmed their significant activity by interacting of the sulfonamide moiety with zinc ion in the active site, in addition to its hydrogen bond interaction with Thr199 and Thr200. All the above‐mentioned findings pointed out towards the promising activity of the synthesized series that can be presented as a new scaffold to be further optimized as selective antiglaucoma drugs.
Eph and ephrin signaling in the development of the central auditory system
Authors: Krasewicz Jakub , Yu Wei‐Ming
Published: June 2022

Acoustic communication relies crucially on accurate interpretation of information about the intensity, frequency, timing, and location of diverse sound stimuli in the environment. To meet this demand, neurons along different levels of the auditory system form precisely organized neural circuits. The assembly of these precise circuits requires tight regulation and coordination of multiple developmental processes. Several groups of axon guidance molecules have proven critical in controlling these processes. Among them, the family of Eph receptors and their ephrin ligands emerge as one group of key players. They mediate diverse functions at multiple levels of the auditory pathway, including axon guidance and targeting, topographic map formation, as well as cell migration and tissue pattern formation. Here, we review our current knowledge of how Eph and ephrin molecules regulate different processes in the development and maturation of central auditory circuits.
A method to investigate muscle target‐specific transcriptional signatures of single motor neurons
Authors: Berki Bianka , Sacher Fabio , Fages Antoine , Tschopp Patrick , Luxey Maëva
Published: June 2022

Background

Motor neurons in the vertebrate spinal cord have long served as a paradigm to study the transcriptional logic of cell type specification and differentiation. At limb levels, pool‐specific transcriptional signatures first restrict innervation to only one particular muscle in the periphery, and get refined, once muscle connection has been established. Accordingly, to study the transcriptional dynamics and specificity of the system, a method for establishing muscle target‐specific motor neuron transcriptomes would be required.

Results

To investigate target‐specific transcriptional signatures of single motor neurons, here we combine ex‐ovo retrograde axonal labeling in mid‐gestation chicken embryos with manual isolation of individual fluorescent cells and Smart‐seq2 single‐cell RNA‐sequencing. We validate our method by injecting the dorsal extensor metacarpi radialis and ventral flexor digiti quarti wing muscles and harvesting a total of 50 fluorescently labeled cells, in which we detect up to 12,000 transcribed genes. Additionally, we present visual cues and cDNA metrics predictive of sequencing success.

Conclusions

Our method provides a unique approach to study muscle target‐specific motor neuron transcriptomes at a single‐cell resolution. We anticipate that our method will provide key insights into the transcriptional logic underlying motor neuron pool specialization and proper neuromuscular circuit assembly and refinement.
Cyanobacterial mats as benthic reservoirs and vectors for coral black band disease pathogens
Authors: Cissell Ethan C. , Eckrich Caren E. , McCoy Sophie J.
Published: June 2022

The concurrent rise in the prevalence of conspicuous benthic cyanobacterial mats and the incidence of coral diseases independently mark major axes of degradation of coral reefs globally. Recent advances have uncovered the potential for the existence of interactions between the expanding cover of cyanobacterial mats and coral disease, especially black band disease (BBD), and this intersection represents both an urgent conservation concern and a critical challenge for future research. Here, we propose links between the transmission of BBD and benthic cyanobacterial mats. We provide molecular and ecophysiological evidence suggesting that cyanobacterial mats may create and maintain physically favorable benthic refugia for BBD pathogens while directly harboring BBD precursor assemblages, and discuss how mats may serve as direct (mediated via contact) and indirect (mediated via predator–prey–pathogen relationships) vectors for BBD pathogens. Finally, we identify and outline future priority research directions that are aligned with actionable management practices and priorities to support evidence‐based coral conservation practices.
Use of marine vs. freshwater proteins for egg‐laying and incubation by sea ducks breeding in Arctic tundra
Authors: Miller Micah W. C. , Lovvorn James R. , Graff Nathan R. , Stellrecht Neesha C.
Published: June 2022

Understanding dietary nutrient sources is fundamental to conserving sensitive species, especially as climate change alters food web dynamics. Migratory species that depend on both marine and terrestrial habitats face unique challenges, as the locations and quality of resources in the two realms may respond quite differently to environmental changes, with potential for spatial and temporal carryover effects. For sea ducks (Mergini) that winter at sea but move inland to breed, body size may determine their capacity to store nutrient reserves for later use in alternative habitats. We assessed ultimate sources of protein for reproduction in four sea duck species in northern Alaska: smaller‐bodied Long‐tailed Ducks and Steller's Eiders (Clangula hyemalis and Polysticta stelleri), and larger‐bodied Spectacled and King Eiders (Somateria fischeri and Somateria spectabilis). To assess the relative use of local freshwater foods vs. marine protein for both egg production and body maintenance of incubating females, we measured stable isotopes of carbon and nitrogen in egg membranes, red blood cells, marine and freshwater invertebrates, and vegetation. For egg production, isotope mixing models indicated that proteinaceous egg membranes of all four species were derived mostly (89%–95%) from freshwater foods on the breeding grounds, with broad individual variation in specific prey types selected by the larger species. For incubation, isotopes in red blood cells indicated that body maintenance of females also relied mainly (87%–91%) on freshwater foods in Long‐tailed Ducks and Steller's Eiders. However, incubating Spectacled and King Eiders obtained only about 60% of their protein from freshwater foods and the remainder from marine‐derived body tissues. The latter strategy allows the larger‐bodied species to incubate almost continuously, whereas the smaller species must take more frequent incubation breaks and generally incur higher rates of predation on eggs. Thus, depending on body size, cross‐seasonal effects of feeding conditions in marine habitats may strongly influence population processes well after the birds move to inland nesting sites. Although conservation programs on land and sea are often researched, planned, and administered by different agencies and organizations, our results emphasize the need to coordinate marine and land‐based efforts for species that integrate conditions across both environments.