bluuebunny/crossref_metadata_2025 huggingface dataset:
EnT‐Mediated Amino‐Sulfonylation of Alkenes with Bifunctional Sulfonamides: Access to β‐Amino Sulfone Derivatives
Authors: Sang Ji‐Wei , Du Peiyu , Xia Dingding , Zhang Yu , Wang Jinxin , Zhang Wei‐Dong
Published: May 2023

β‐Amino sulfones are commonly found structural motifs in biologically active compounds. Herein, we report a direct photocatalyzed amino‐sulfonylation reaction of alkenes for the efficicient production of important compounds by simple hydrolysis without the need for additional oxidants and reductants. In this transformation, the sulfonamides worked as bifunctional reagents, simultaneously generating sulfonyl radicals and N‐centered radicals which were added to alkene in a highly atom‐economical fashion with high regioselectivity and diastereoselectivity. This approach showed high functional group tolerance and compatibility, facilitating the late‐stage modification of some bioactive alkenes and sulfonamide molecules, thereby expanding the biologically relevant chemical space. Scaling up this reaction led to an efficient green synthesis of apremilast, one of the best‐selling pharmceuticals, demonstrating the synthetic utility of the applied method. Moreover, mechanistic investigations suggest that an energy transfer (EnT) process was in operation.
N‐terminal pro‐B‐type natriuretic peptide improves the predictive value of CHA2DS2‐VASc risk score for long‐term cardiovascular events in acute coronary syndrome patients with atrial fibrillation
Authors: Mu Xuefei , Qiu Miaohan , Li Yi , Li Ziqi , Qi Bin , Jing Zilan , Jing Quanmin
Published: May 2023

Background

It is important to identify patients with co‐morbid acute coronary syndrome (ACS) and atrial fibrillation (AF) at high risk and adopt proper management strategies to improve their prognosis.

Hypothesis

The addition of N‐terminal pro‐B‐type natriuretic peptide (NT‐proBNP) could improve predictive value for long‐term cardiovascular events beyond the CHA2DS2‐VASc score in patients with co‐morbid ACS and AF.

Methods

A total of 1223 patients with baseline NT‐proBNP between January 2016 and December 2019 were included in the study. The primary endpoint was all‐cause death at 12 months. The secondary outcomes included 12‐month cardiac death and major adverse cardiovascular and cerebrovascular event (MACCE), defined as a composite of all‐cause death, myocardial infarction, or stroke.

Results

A higher serum of NT‐proBNP levels was strongly associated with increased risks of all‐cause death (adjusted hazard ratio [HR]: 1.05, 95% confidence interval [CI], 1.03–1.07), cardiac death (adjusted HR: 1.05, 95% CI, 1.03–1.07), and MACCE (adjusted HR: 1.04, 95% CI, 1.02–1.06). The prognostic accuracy of the CHA2DS2‐VASc score was improved when combined with NT‐proBNP to yield a 9%, 11%, and 7% increment for the discrimination of long‐term risk for all‐cause mortality (area under curve [AUC]: from 0.64 to 0.73), cardiac death (AUC: from 0.65 to 0.76), and MACCE (AUC: from 0.62 to 0.69), respectively.

Conclusions

In patients with ACS and AF, NT‐proBNP is a potential biomarker to enhance risk discrimination for all‐cause death, cardiac death, and MACCE in combination with the CHA2DS2‐VASc score.
Screening of biohydrogen producing endophytic fungi from biodiesel plants
Authors: Paul Susmita , Bhagobaty Ranjan Kumar , Nihalani Mool Chand , Joshi Santa Ram
Published: May 2023

Biohydrogen from endophytic fungi constitutes an alternative biofuel resource with considerable advantages over biodiesel and ethanol extracted from existing food crops. Endophytes common in plant tissues mimic host physiological behavior and produce primary and secondary metabolites like oils and fats. Therefore, endophytes from 7 selected biodiesel plants, and 30 endophytic fungi isolated from 170 different plant parts were screened. The methodology included staining, lipid analysis, DNA isolation, molecular characterization, identification of fungal isolates by ITS sequences, biodiesel analysis, characterization of volatile organic compounds (VOCs), and statistical analysis. The fungal endophyte isolate SPSRJ28 was the most significant with an accumulation capacity of more than 20% of the total lipid content of its dry biomass, validating its oleaginous nature. In addition, the endophytes investigated in the present study yielded various VOCs that were validated by chromatography for both standards and isolates. When the VOCs were subsequently analyzed for their prospective usage as myco‐diesel, the presence of methane in the isolate SPSRJ28 was found to be highly significant. These findings remarkably support the investigation of endophytic fungi and their relationship with oleaginous plants as alternative sources of bioactive metabolites from microbial cell factories for myco‐diesel generation.
Advanced NMR Characterization of Aquasolv Omni (AqSO) Biorefinery Lignins/Lignin‐Carbohydrate Complexes
Authors: Schlee Philipp , Tarasov Dmitry , Rigo Davide , Balakshin Mikhail
Published: May 2023

Our recently reported AquaSolv Omni (AqSO) process shows great potential as a parameter‐controlled type of biorefinery, which allows tuning of structure and properties of the products towards their optimal use in high‐value applications. Herein, a comprehensive NMR (quantitative 13C, 31P, and 2D heteronuclear single‐quantum coherence) structural characterization of AqSO lignins is reported. The effect of the process severity (P‐factor) and liquid‐to‐solid ratio (L/S) on the structure of the extracted lignins has been investigated and discussed. Low severity (P‐factor in the range 400–600) and L/S=1 led to the isolation of less degraded lignin with a higher β‐O‐4 content up to 34/100 Ar. Harsher processing conditions (P‐factor=1000–2500) yielded more condensed lignins with a high degree of condensation up to 66 at P‐factor=2000. New types of lignin moieties, such as alkyl‐aryl and alkyl‐alkyl chemical bonds together with novel furan oxygenated structures have been identified and quantified for the first time. In addition, the formation of lignin carbohydrate complexes bonds has been hypothesized at low severity and L/S. Based on the obtained data we were able to formulate a possible outlook of the occurring reactions during the hydrothermal treatment. Overall, such detailed structural information bridges the gap from process engineering to sustainable product development.
Why should we care about emotional intelligence?
Authors: Hodges Dawn Z.
Published: May 2023

Generally speaking, I don’t read articles about emotional intelligence. As a matter of course, I avoid them. If I see EI, I just keep scrolling. Why? Well, I haven’t really wanted to know if I’m emotionally intelligent or unintelligent.
Cytomorphological findings of Trichophyton rubrum infection in an elderly hypertensive woman
Authors: Shah Saman , Bohara Sangita , Saxena Mohiny , Goel Nidhi , Srivastava Jyoti
Published: May 2023

Trichophyton is a dermatophytic fungi causing superficial skin infections which affects outermost layer of the epidermis, stratum corneum, and mainly involves feet, groin, scalp, and nails. Invasion into the dermis occurs mainly in immunocompromised patients. A 75‐year‐old hypertensive female presented with a nodular swelling on the dorsum of right foot for 1 month. The swelling was 1.0 × 1.0 cm and gradually progressive in nature. FNAC revealed many thin filamentous branching and fungal hyphae along with foreign body granulomas and suppurative acute inflammation. The swelling was excised and sent for histopathological examination which confirmed the above findings. Periodic Acid Schiff stain showed fungal hyphae in both cytology smear as well as histopathology section. On fungal culture, microconidia with septate hyphae suggestive of Trichophyton rubrum was seen. Trichophytons mainly affect immunocompromised and diabetic patients, however, may present as nodular lesions without any history of superficial dermatophytosis as seen in the present case. The characteristic cytological picture helped to clinch the diagnosis in this case and facilitated further management.
Opening up new niche dimensions: The stoichiometry of soil microarthropods in European beech and Norway spruce forests
Authors: Warnke Lara , Hertel Dietrich , Scheu Stefan , Maraun Mark
Published: May 2023

Niche theory fundamentally contributed to the understanding of animal diversity. However, in soil, the diversity of animals seems enigmatic since the soil is a rather homogeneous habitat, and soil animals are often generalist feeders. A new approach to understand soil animal diversity is the use of ecological stoichiometry. The elemental composition of animals may explain their occurrence, distribution, and density. This approach has been used before in soil macrofauna, but this study is the first to investigate soil mesofauna. Using inductively coupled plasma optic emission spectrometry (ICP‐OES), we analyzed the concentration of a wide range of elements (Al, Ca, Cu, Fe, K, Mg, Mn, Na, P, S, Zn) in 15 soil mite taxa (Oribatida, Mesostigmata) from the litter of two different forest types (beech, spruce) in Central Europe (Germany). Additionally, the concentration of carbon and nitrogen, and their stable isotope ratios (15N/14N,13C/12C), reflecting their trophic niche, were measured. We hypothesized that (1) stoichiometry differs between mite taxa, (2) stoichiometry of mite taxa occurring in both forest types is not different, and (3) element composition is correlated to trophic level as indicated by15N/14N ratios. The results showed that stoichiometric niches of soil mite taxa differed considerably indicating that elemental composition is an important niche dimension of soil animal taxa. Further, stoichiometric niches of the studied taxa did not differ significantly between the two forest types. Calcium was negatively correlated with trophic level indicating that taxa incorporating calcium carbonate in their cuticle for defense occupy lower trophic positions in the food web. Furthermore, a positive correlation of phosphorus with trophic level indicated that taxa higher in the food web have higher energetic demand. Overall, the results indicate that ecological stoichiometry of soil animals is a promising tool for understanding their diversity and functioning.
Using qPCR of environmental DNA (eDNA) to estimate the biomass of juvenile Pacific salmon (Oncorhynchus spp.)
Authors: Benoit Natalie P. , Robinson Kristin Meagher , Kellogg Colleen T. E. , Lemay Matthew A. , Hunt Brian P. V.
Published: May 2023

During the outmigration of Pacific Salmon, the early marine phase is a critical period when high mortality can occur. Traditional sampling and monitoring of juvenile salmon migration can be limited by logistically intensive gear requirements, accessibility, and cost. Improved understanding of the early marine phase, for example, migration duration and habitat use, requires innovative techniques that can improve the spatial and temporal coverage of monitoring. Environmental DNA (eDNA) is genetic fragments present in the environment that can be used as a proxy for organism presence and can be effectively and efficiently collected through water samples. Estimating fish abundance or biomass from eDNA concentration data would provide a valuable fisheries tool but remains challenging to calibrate. To quantify the relationship between eDNA abundance and fish biomass, we used a controlled mesocosm experiment, in which eDNA samples were collected from 15 aquaria (340 L) with varying densities of juvenile Chinook salmon per tank (0, 5, 10, 20, and 30). The concentration of eDNA was obtained by qPCR scaled with fish biomass (ANOVA, p < 0.05). However, we also observed that variability of eDNA concentrations among replicates of the same treatment positively scaled biomass (ANOVA, p < 0.05). Therefore, higher biomasses of fish can yield more challenging data to interpret. This study lays important groundwork for the application of eDNA for monitoring juvenile salmonids yet highlights caveats for the applicability of eDNA as a stand‐alone method to assess biomass in a field setting.
Knowledge, Information, and Data Readiness Levels (KaRLs) for Risk Assessment, Communication, and Governance of Nano‐, New, and Other Advanced Materials
Authors: Drobne Damjana , Ciornii Dmitri , Hodoroaba Vasile‐Dan , Bohmer Nils , Novak Sara , Kranjc Eva , Kononenko Veno , Reuther Rudolf
Published: May 2023

The obvious benefits derived from the increasing use of engineered nano‐, new, and advanced materials and associated products have to be weighed out by a governance process against their possible risks. Differences in risk perception (beliefs about potential harm) among stakeholders, in particular nonscientists, and low transparency of the underlying decision processes can lead to a lack of support and acceptance of nano‐, new, and other advanced material enabled products. To integrate scientific outcomes with stakeholders needs, this work develops a new approach comprising a nine‐level, stepwise categorization and guidance system entitled “Knowledge, Information, and Data Readiness Levels” (KaRLs), analogous to the NASA Technology Readiness Levels. The KaRL system assesses the type, extent, and usability of the available data, information, and knowledge and integrates the participation of relevant and interested stakeholders in a cocreation/codesign process to improve current risk assessment, communication, and governance. The novelty of the new system is to communicate and share all available and relevant elements on material related risks in a user/stakeholder‐friendly, transparent, flexible, and holistic way and so stimulate reflection, awareness, communication, and a deeper understanding that ultimately enables the discursive process that is needed for the sustainable risk governance of new materials.
Is it all in the baseline? Trajectories of chair stand performance over 4 years and their association with grey matter structure in older adults
Authors: Demnitz Naiara , Gates Anne T. , Mortensen Erik L. , Garde Ellen , Wimmelmann Cathrine L. , Siebner Hartwig R. , Kjaer Michael , Boraxbekk Carl‐Johan
Published: May 2023

Understanding individual variability in response to physical activity is key to developing more effective and personalised interventions for healthy ageing. Here, we aimed to unpack individual differences by using longitudinal data from a randomised‐controlled trial of a 12‐month muscle strengthening intervention in older adults. Physical function of the lower extremities was collected from 247 participants (66.3 ± 2.5 years) at four time‐points. At baseline and at year 4, participants underwent 3 T MRI brain scans. K‐means longitudinal clustering was used to identify patterns of change in chair stand performance over 4 years, and voxel‐based morphometry was applied to map structural grey matter volume at baseline and year 4. Results identified three groups showing trajectories of poor (33.6%), mid (40.1%), and high (26.3%) performance. Baseline physical function, sex, and depressive symptoms significantly differed between trajectory groups. High performers showed greater grey matter volume in the motor cerebellum compared to the poor performers. After accounting for baseline chair stand performance, participants were re‐assigned to one of four trajectory‐based groups: moderate improvers (38.9%), maintainers (38.5%), improvers (13%), and decliners (9.7%). Clusters of significant grey matter differences were observed between improvers and decliners in the right supplementary motor area. Trajectory‐based group assignments were unrelated to the intervention arms of the study. In conclusion, patterns of change in chair stand performance were associated with greater grey matter volumes in cerebellar and cortical motor regions. Our findings emphasise that how you start matters, as baseline chair stand performance was associated with cerebellar volume 4 years later.
Differences in infant negative affectivity during the COVID‐19 pandemic
Authors: Morris Alyssa R. , Saxbe Darby E.
Published: May 2023

This longitudinal study compared infant temperament rated at 3 months postpartum by 263 United‐States‐based women who gave birth during the COVID‐19 pandemic and 72 who gave birth prior to the pandemic. All women completed questionnaires assessing perinatal mental health, social contact, and infant temperament. Mothers whose infants were born during the pandemic reported higher levels of infant negative affectivity as compared with mothers whose infants were born earlier (F(1, 324) = 18.28, p < .001), but did not differ in their ratings of surgency or effortful control. Maternal prenatal depressive symptoms, prenatal stress, and postpartum stress mediated differences in infant negative affectivity  between pandemic and pre‐pandemic groups. Within the pandemic group, decreased postpartum social contact was associated with higher ratings of infant negative affectivity. These findings suggest that the pandemic has affected maternal perceptions of infant temperament, perinatal mental health, and social contact.
In silico exploration of antioxidants as oxidation protectant for PITRM1 peptidase activity, an Alzheimer disease target
Authors: Wilson Alphonse Carlton Ranjith , Kannan Rajaretinam Rajesh
Published: May 2023

To find efficient antioxidants to protect oxidation prone cysteine residues of the peptidase PITRM1 using molecular docking and simulation techniques. A total of 50 antioxidants were docked with PITRM1 at the oxidation prone region Cys89 and Cys96 using Autodock Vina software. The lowest socred compounds were predicted for its Blood brain barrier permeability using LightBBB. Molecular dynamic simulations of the PITRM1 and Ascorbic acid/Silymarin complex were performed using the GROMACS 2020.1 package and the free energy calculations were performed using gmx_MMPBSA. The RMSD, RMSF, Rg, Minimum distance and Hydrogen bonds were also evaluated. Silymarin, Ascorbic acid, Naringenin, Gallic acid, Chlorogenic acid, Rosmarinic acid, (‐)‐Epicatechin, Genistein showed a docking score of above –5.3 kcal/mol. Silymarin and Ascorbic acid were predicted to cross the Blood Brain Barrier. Molecular dynamic simulation and mmPBSA analysis revealed that Silymarin showed a positive free energy implying no affinity to PITRM1 and ascorbic acid has low ΔG with –13.13 kJ/mol. The stability of the ascorbic acid complex was high (RMSD: 0.160 ± 0.018 nm, Minimum Distance: 0.163 ± 0.001 nm and four hydrogen bonds) and fluctuation induced due to ascorbic acid was low. Ascorbic acid was found to effectively interact with the cysteine oxidation prone region and can have a potential role in reducing the oxidised cysteine in PITRM1 to modulate its peptidase activity.
Five‐year follow‐up study on quantitative muscle magnetic resonance imaging in facioscapulohumeral muscular dystrophy: The link to clinical outcome
Authors: Vincenten Sanne C.C. , Mul Karlien , van As Daniël , Jansen Julia J. , Heskamp Linda , Heerschap Arend , van Engelen Baziel G.M. , Voermans Nicol C.
Published: May 2023

Background

It is unclear how changes in quantitative muscle magnetic resonance imaging (MRI) relate to changes in clinical outcome in facioscapulohumeral muscular dystrophy (FSHD), although this information is crucial for optimal use of MRI as imaging biomarker in trials. We therefore assessed muscle MRI and clinical outcome measures in a large longitudinal prospective cohort study.

Methods

All patients were assessed by MRI at baseline and at 5‐year follow‐up, employing 2pt‐Dixon and turbo inversion recovery magnitude (TIRM) sequences, after which fat fraction and TIRM positivity of 19 leg muscles were determined bilaterally. The MRI compound score (CoS) was defined as the mean fat fraction of all muscles weighted for cross‐sectional area. Clinical outcome measures included the Ricci‐score, FSHD clinical score (FSHD‐CS), MRC sumscore (MRC‐SS), and motor‐function‐measure (MFM).

Results

We included 105 FSHD patients [mean age 54 ± 14 years, median Ricci‐score 7 (range 0–10)]. The median change over 5 years' time in the MRI‐CoS was 2.0% (range −4.6 to +12.1; P < 0.001). The median change over 5 years' time in clinical outcome measures was small in all measures, with z‐scores ranging from 5.0 to 7.2 (P < 0.001). The change in MRI‐CoS correlated with change in FSHD‐CS and Ricci‐score (ρ = 0.25, respectively; ρ = 0.23, P < 0.05). The largest median increase in MRI‐CoS was seen in baseline subgroups with an MRI‐CoS 20–40% (6.1%), with ≥2 TIRM positive muscles (3.5%) or with an FSHD‐CS 5–10 (3.1%).

Conclusions

This 5‐year study showed significant changes in MRI and clinical outcome measures and a significant correlation between changes in MRI‐CoS and changes in clinical outcome measures. In addition, we identified subgroups of patients that are most prone to radiological disease progression. This knowledge further establishes quantitative MRI parameters as prognostic biomarkers in FSHD and as efficacy biomarkers in upcoming clinical trials.
Establishment and validation of a clinical severity scoring system for succinic semialdehyde dehydrogenase deficiency
Authors: Tokatly Latzer Itay , Roullet Jean‐Baptiste , Gibson K. Michael , Pearl Phillip L.
Published: May 2023

Succinic semialdehyde dehydrogenase deficiency (SSADHD) is an inherited metabolic disorder with a variable phenotype and rate of progression. We aimed to develop and validate a clinical severity scoring (CSS) system applicable to the clinical setting and composed of five domains reflecting the principal manifestations of this disorder: cognitive, communication, motor, epilepsy, and psychiatry. A prospectively characterized cohort of 27 SSADHD subjects (55% females, median [IQR] age 9.2 [4.6–16.2] years) who enrolled in the SSADHD Natural History Study were included. The CSS was validated by comparison to an objective severity scoring (OSS) system based on comprehensive neuropsychologic and neurophysiologic assessments, which mirror and complement the domains of the CSS. The total CSS was sex and age‐independent, and 80% of its domains lacked interdependence. With increasing age, there was a significant improvement in communication abilities (p = 0.05) and a worsening of epilepsy and psychiatric manifestations (p = 0.004 and p = 0.02, respectively). There was a significant correlation between all the CSS and OSS domain scores, as well as between the total CSS and OSS (R = 0.855, p < 0.001). Additionally, there were no significant demographic or clinical differences in the ratio of individuals in the upper quartile to the lower three quartiles of the CSS and OSS. The SSADHD CSS is validated using objective measures and offers a reliable condition‐specific instrument universally applicable in clinical settings. This severity score may be utilized for family and patient counseling, genotype–phenotype correlations, biomarker development, clinical trials, and objective descriptions of the natural history of SSADHD.
A substrate for a cell free in vitro assay system to screen drugs targeting trypsin like protease‐based cleavage of SARS‐CoV‐2 spike glycoprotein and viral entry
Authors: Begum Feroza , Srivastava Amit K. , Tripathi Prem Prakash , Ray Upasana
Published: May 2023

Host proteases trypsin and trypsin‐like proteases have been reported to facilitate the entry of coronavirus SARS‐CoV‐2 in its host cells. These protease enzymes cleave the viral surface glycoprotein, spike, leading to successful cell surface receptor attachment, fusion and entry of the virus in its host cell. The spike protein has protease cleavage sites between the two domains S1 and S2. Since the cleavage site is recognized by the host proteases, it can be a potential antiviral therapeutic target. Trypsin‐like proteases play an important role in virus infectivity and the property of spike protein cleavage by trypsin and trypsin‐like proteases can be used to design assays for screening of antiviral candidates against spike protein cleavage. Here, we have documented the development of a proof‐of‐concept assay system for screening drugs against trypsin/trypsin‐like proteases that cleave spike protein between its S1 and S2 domains. The assay system developed uses a fusion substrate protein containing a NanoLuc luciferase reporter protein, the protease cleavage site between S1 and S2 domains of SARS‐CoV‐2 spike protein and a cellulose binding domain. The substrate protein can be immobilized on cellulose via the cellulose binding domain of the substrate. When trypsin and trypsin‐like proteases cleave the substrate, the cellulose binding domain remain bound to the cellulose and the reporter protein is dislodged. Reporter assay using the released reporter protein is the read out of the protease activity. We have demonstrated the proof‐of‐concept using multiple proteases like trypsin, TMPRSS2, furin, cathepsin B, human airway trypsin and cathepsin L. A significant increment in fold change was observed with increasing enzyme concentration and incubation time. Introduction of increasing amounts of enzyme inhibitors in the reaction reduced the luminescent signal, thus validating the assay. Furthermore, we used SDS‐PAGE and immunoblot analyses to study the cleavage band pattern and re‐confirm the cleavage for enzymes tested in the assay. Taken together, we have tested an in‐vitro assay system using the proposed substrate for screening drugs against trypsin like protease‐based cleavage of SARS‐CoV‐2 spike glycoprotein. The assay system can also be potentially used for antiviral drug screening against any other enzyme that might cleave the used cleavage site.
The effects of disturbance on the microbial mediation of sediment stability
Authors: Zhang Naiyu , Thompson Charlotte E. L. , Townend Ian H.
Published: May 2023

In coastal areas, biofilms are often subject to disturbance by hydrodynamic forcing, bioturbation and human activities. These factors affect the influences biofilms have on the sediment. To reveal these effects, we studied laboratory‐incubated and field‐collected biotic sediments reworked by disturbances, and examined their stabilities and three‐dimensional microstructures using laboratory annular flume tests and a wet‐staining X‐ray microcomputed tomography method. We find that, when subject to disturbance, biofilms do not always establish mat‐like matrices that firmly armor the seabed and bio‐stabilize sediments, but instead, have a range of effects on sediment stability, including both bio‐stabilization and destabilization. Disturbance considerably alters microbial influences on sediment stability, but is not the only control. Given equal disturbance, whether or not sediments are bio‐stabilized largely depends on the state of bio‐sediment formation. At a relatively well‐developed state, an organic‐rich, adhesive polymer network tightly interconnects large amounts of sediment particles into aggregates, forms complex internal structures, and enhances sediment stability. By contrast, some bio‐sediment formations only ever reach a less well‐developed state, where scattered organic patches bind relatively few particles into aggregates and reduce sediment stability. Microbial growth likely has two opposing effects on sediment stability, by enhancing either weight/friction or lift/drag on aggregated particles. The former has the positive effect of enhancing sediment stability, whereas the latter can result in greater flow resistance and so have the opposite effect. A conceptual framework is put forward to characterize the different states of bio‐sediment formation and their distinct effects on sediment stability.
Toughening of Bio‐Based PA 6.19 by Copolymerization with PA 6.6 – Synthesis and Production of Melt‐Spun Monofilaments and Knitted Fabrics
Authors: Rist Maximilian , Löcken Henning , Ortega Mathias , Greiner Andreas
Published: May 2023

This work reports on the synthesis of statistical copolymers of bio‐based PA 6.19 and PA 6.6 together with the production of melt‐spun monofilaments for the production of sustainable textile fibers. The plant oil‐based 1.19‐nonadecanedioic acid is synthesized from bio‐derived oleic acid via isomerizing methoxycarbonylation. The homopolymer PA 6.19 with a carbon‐based bio‐content of 72% shows a good elongation at break of 166%, but lower tensile strength than commercial PA 6 (43 MPa versus 82 MPa). Addition of adipic acid to form statistical PA 6.6/6.19 copolymers improves toughness while maintaining the high elongation at break. Two PA 6.6/6.19 copolymers with a carbon‐based bio‐content of 26% and 33% are successfully synthesized and exhibited comparable toughness (94  ±  6 MPa and 92  ±  2 MPa) to the commercial PA 6 (92  ±  15 MPa). The bio‐based copolymers also exhibit a much lower water uptake than PA 6 and PA 6.6, resulting in a higher dimensional stability. Melt spinning of the oleic acid‐based polyamides is successfully carried out to produce monofilaments with sufficient properties for further processing in a knitting process, demonstrating the capabilities of the bio‐based PA 6.6/6.19 copolymers for use in the textile industry.
Evaluation of crack locations in beam using artificial neural network‐based modified curvature damage index
Authors: Gupta S. K. , Das S.
Published: May 2023

Although the frequency response‐curvature methodology is commonly used to detect irregularities in mechanical and civil structures, the artificial neural network‐based frequency response‐curvature damage index method may have good efficacy in the detection and localization of structural damages. By utilizing experimental data sets, a novel method is proposed to pinpoint a saw‐cut damage location and the degree of damage in beam models. Using a dynamic data logger, the frequency response function of a beam model is obtained for altering damage levels at different positions. As frequency response data contains environmental and operational noise, the accuracy of obtained results may get reduced. To improve the accuracy by reducing the noise effect, the experimentally obtained frequency response data is trained through an artificial neural network. Using central difference approximation, the sets of trained modal data are utilized to determine the improved mode shape curvature. The curvature damage index is then obtained by using the improved mode shape curvature for different damaged scenarios to ultimately identify structural damages.
The epigenetic regulatory mechanisms of ferroptosis and its implications for biological processes and diseases
Authors: Yang Molin , Luo Hanshen , Yi Xin , Wei Xiang , Jiang Ding‐Sheng
Published: May 2023

Ferroptosis is a form of regulated cell death triggered by the iron‐dependent peroxidation of phospholipids. Interactions of iron and lipid metabolism factors jointly promote ferroptosis. Ferroptosis has been demonstrated to be involved in the development of various diseases, such as tumors and degenerative diseases (e.g., aortic dissection), and targeting ferroptosis is expected to be an effective strategy for the treatment of these diseases. Recent studies have shown that the regulation of ferroptosis is affected by multiple mechanisms, including genetics, epigenetics, posttranscriptional modifications, and protein posttranslational modifications. Epigenetic changes have garnered considerable attention due to their importance in regulating biological processes and potential druggability. There have been many studies on the epigenetic regulation of ferroptosis, including histone modifications (e.g., histone acetylation and methylation), DNA methylation, and noncoding RNAs (e.g., miRNAs, circRNAs, and lncRNAs). In this review, we summarize recent advances in research on the epigenetic mechanisms involved in ferroptosis, with a description of RNA N6‐methyladenosine (m6A) methylation included, and the importance of epigenetic regulation in biological processes and ferroptosis‐related diseases, which provides reference for the clinical application of epigenetic regulators in the treatment of related diseases by targeting ferroptosis.
A note on the homogenization of incommensurate thin films
Authors: Anello Irene , Braides Andrea , Caragiulo Fabrizio
Published: May 2023

Dimension‐reduction homogenization results for thin films have been obtained under hypotheses of periodicity or almost periodicity of the energies in the directions of the mid‐plane of the film. In this note, we consider thin films, obtained as sections of a periodic medium with a mid‐plane that may be incommensurate, that is, not containing periods other than 0. A geometric almost periodicity argument similar to the cut‐and‐project argument used for quasicrystals allows to prove a general homogenization result.
Three optimal families of three‐sub‐step dissipative implicit integration algorithms with either second, third, or fourth‐order accuracy for second‐order nonlinear dynamics
Authors: Li Jinze , Yu Kaiping , Zhao Rui , Fang Yong
Published: May 2023

This paper reviews the published composite three‐sub‐step implicit algorithms all of which adopt the trapezoidal rule in the first sub‐step. Three optimal families of three‐sub‐step implicit algorithms are developed to achieve second, third, and fourth‐order accuracy. The present second‐ and third‐order methods achieve identical effective stiffness matrices, thus embedding optimal spectral characteristics. Besides, both of them impose two dissipative parameters ( and ) to control numerical dissipation imposed in the second and third sub‐steps. The parameter adjusts overall numerical dissipation in the whole integration schemes, while the firstly used parameter can change numerical dissipation in the second sub‐step. The numerical example has shown the superiority of controlling middle sub‐step dissipation via . The present fourth‐order method is moderately dissipative due to achieving higher‐order accuracy, but it presents a more reasonable sub‐step division than the published fourth‐order three‐sub‐step trapezoidal rule. Linear and nonlinear examples are simulated to show the numerical performance and superiority of the three novel methods. This paper recommends using the proposed second‐ and third‐order three‐sub‐step methods to solve various dynamic problems.
Chiral recognition mechanism of cellobiohydrolase Cel7A for ligands based on the β‐blocker propranolol: The effect of explicit water molecules on binding and selectivities
Authors: Fagerström Alexandra , Liljefors Tommy , Sandgren Mats , Isaksson Roland , Ståhlberg Jerry , Berg Ulf
Published: May 2023

Proteins are useful chiral selectors. In order to understand the recognition mechanism and chiral discrimination, the binding of the (R)‐ and (S)‐enantiomers of a series of designed amino alcohol inhibitors based on propranolol to cellobiohydrolase Cel7A (Trichoderma reesei) has been studied more closely. X‐ray crystal structures were determined of the protein complex with the (R)‐ and (S)‐enantiomers of the strongest binding propranolol analogue. The combination of the structural data, thermodynamic data from capillary electrophoresis and microcalorimetry experiments and computational modelling give a clearer insight into the origin of the enantioselectivity and its opposite thermodynamic signature. The new crystal structures were used in computational molecular flexible dockings of the propranolol analogues using the program Glide. The results indicated that several water molecules in the active site were essential for the docking of the (R)‐enantiomers but not for the (S)‐enantiomers. The results are discussed in relation to the enantiomeric discrimination of the enzyme. Both dissociation constants (Kd values) and thermodynamical data are included to show the effects of the structural modifications in the ligand on enthalpy and entropy in relation to the enantioselectivity.
Reflexive disclosure in qualitative research publications in school psychology (2006–2021)
Authors: Sabnis Sujay V. , Wolgemuth Jennifer R.
Published: May 2023

Qualitative researchers in school psychology are asked to reflect on how their identities, goals, and backgrounds influence their research studies, and to disclose these influences in their manuscripts. Given that reflexivity is a process and not an event, it can be challenging to decide what and how much about oneself, or selves, to disclose in a qualitative research manuscript. We, therefore, wanted to understand how school psychology researchers have communicated reflexivity in their published journal articles. We analyzed all qualitative articles published in seven school psychology journals between 2006 and 2021, focusing on the authors' written descriptions meeting the criteria of reflexive disclosure. We found an increase in the inclusion of reflexive disclosure over the years. We also found five types of disclosure researchers used to communicate reflexivity. We end with some critiques of the existing disclosure practices and make recommendations for strengthening reflexivity.
Autonomy support, personality, and mindset in predicting academic performance among early adolescents: The mediating role of self‐determined motivation
Authors: Mammadov Sakhavat , Tozoglu Dogan
Published: May 2023

There is a growing interest on the role of noncognitive factors such as personality traits and implicit beliefs in accounting for individual differences in academic performance. Autonomy support from primary socializing agents too is an important tool for enhancing student motivation and other learning outcomes. In this study, we tested a model hypothesizing that the broad personality traits of conscientiousness and openness, growth mindset, and perceived teacher and parent autonomy support would be distal predictors of academic performance, with self‐determined motivation proximally accounting for performance outcomes. Middle school students (N = 234) completed an online Qualtrics survey. Students' year‐end grade point averages for all subjects were used as an indicator of their academic performance. We found that conscientiousness had direct and indirect effects (through autonomous motivation) on academic performance. Openness, growth mindset, and parent autonomy support were indirectly associated with academic performance through their effects on autonomous motivation. The effect of teacher autonomy support on academic performance was mediated by both controlled motivation and autonomous motivation.
Effective charge of PNIPAM microgels determined by conductivity measurements
Authors: Campos‐Ramírez Adriana , Lozano‐Martínez Antelmo , Ledesma‐Motolinía Mónica , Rojas‐Ochoa Luis Fernando , Haro‐Pérez Catalina
Published: May 2023

Understanding the effective charge of colloidal particles is crucial to control the stability and performance of a colloidal system. In particular, the electrostatic interaction potential between the particles determines the stability and thermodynamic properties of electrostatically charged colloidal dispersions. In the case of thermosensitive microgels, which are solvent and ions permeable particles, it is expected that the microgel's size and the number of ions within it are affected by temperature changes. This temperature‐dependent microgel‐solvent ion interchange regulates the microgel net charge and, consequently, the interaction potential. Here, a straightforward experimental method based on conductivity measurements is presented to determine the temperature dependence of the effective net charge of poly‐N‐isopropylacrylamide, PNIPAM, microgels under different salinity conditions. Our results show that the net charge of the microgel decreases with increasing temperature. Specifically, microgels reduce their net charge by around 40%, when the temperature is changed from 25 to 40 °C. This scenario could be explained by the entrance of counterions into the microgel after its collapse to partially neutralize the increase of the electrostatic repulsion due to the closer proximity among the charged groups present in the polymer particle.
One‐year clinical experience on the use of Nintedanib in systemic sclerosis
Authors: Magnani Luca , Spinella Amelia , Testoni Sofia , Lumetti Federica , Scelfo Chiara , Dardani Lucia , Bajocchi Gianluigi , Clini Enrico , Salvarani Carlo , Giuggioli Dilia
Published: May 2023

We reviewed 11 patients with systemic sclerosis‐related ILD who were referred to our Scleroderma Unit from January 2020 to January 2021 and started Nintedanib. Non‐specific interstitial pneumonia (NSIP) was prevalent (45%), usual interstitial pneumonia (UIP) and UIP/NSIP pattern were both 27%. Only one patient had a history of smoking. Eight patients were on mycophenolate mofetil (MMF), eight were treated with corticosteroids (mean dose 5 mg/day of Prednisone or equivalent), and three were on Rituximab. The mean modified British Council Medical Questionnaire (mmRC) decreased from 3 to 2.5. Two patients had to reduce their daily dose to 200 mg/day for severe diarrhoea. Nintedanib was generally well tolerated.
An Uncommon Solvent‐Controlled Photochromic Tetraphenylethylene‐Based Co‐crystal
Authors: Dai Renjun , Fan Zhiwen , Chen Shimin , Li Yunbin , Liu Chulong , Xiang Shengchang , Zhang Zhangjing
Published: May 2023

A co‐crystal FJU‐182 with a closed cage structure with photochromic phenomenon was formed using a tetraphenylene derivatives 4,4′,4′′,4′′′‐(anthracene‐9,10‐diylidenebis(methanediyl‐ylidene))tetrabenzoic acid self‐assembled with 1,3‐di(4‐pyridyl)propane in a solvent. It was also found that isomorphic crystals grown from different solvents exhibited different fluorescence. The electron paramagnetic resonance and X‐ray photoelectron spectroscopy data showed that the photochromic mechanism of crystal FJU‐182 was due to photoinduced electron transfer, while the different color change of crystals grown from different solvents was attributed to the size of solvent molecules. The I−V curves of the crystals FJU‐182 before and after illumination were also tested, and it was found that the conductivity of the crystals before the color change would be 3–8 times higher than the conductivity of the crystals after the color development. FJU‐182 provides a new case for electrochemical devices with photoelectric response.
Quasicrystals in QCD
Authors: Qiu Zebin , Nitta Muneto
Published: May 2023

Abstract

We study the ground state of the low energy dense QCD with the assumption of chiral condensates of quarks. Under an external magnetic field, mesons could form soliton lattices via the chiral anomaly. For such scenarios, we present a unified description of pions and η meson with a U(2) field in the framework of the chiral perturbation theory. Our result shows the ground state is a mixture of the magnetized domain walls formed by neutral pion π0 and η meson when they coexist. The winding number of the ground state would alter according to the strength of the magnetic field. When the magnetic field is strong or the chemical potential is large, the proportion of the mixture is determined by the decay constants and the contributions to the anomalous action of π0 and η meson. The resulting configuration is either a mixed soliton lattice or a quasicrystal which could be dubbed a “chiral soliton quasicrystal”.
Thermal production of cold “hot dark matter” around eV
Authors: Yin Wen
Published: May 2023

Abstract

A very simple production mechanism of feebly interacting dark matter (DM) that rarely annihilates is thermal production, which predicts the DM mass around eV. This has been widely known as the hot DM scenario. Despite there are several observational hints from background lights suggesting a DM in this mass range, the hot DM scenario has been considered strongly in tension with the structure formation of our Universe because the free-streaming length of the DM produced from thermal reactions was thought to be too long. In this paper, I show that the previous conclusions are not always true depending on the reaction for bosonic DM because of the Bose-enhanced reaction at very low momentum. By utilizing a simple 1 ↔ 2 decay/inverse decay process to produce DM, I demonstrate that eV range bosonic DM can be thermally produced in a cold manner from a hot plasma through a model-independent analysis applicable to axion, hidden photon, and other bosonic DM candidates. As a result, bosonic DM in the eV mass range may still be unique and theoretically well-motivated. I also discuss some caveats arising from this phenomenon in the freeze-in production of DM, and present a related system that can suppress the hot plasma with thermal reaction.
Bakterielle Zoonosen mit Bedeutung für den öffentlichen Gesundheitsschutz in Deutschland – Vorkommen, Verbreitung und Übertragungswege
Authors: Wilking Hendrik , Beermann Sandra , Boone Ides , Dreesman Johannes , Fingerle Volker , Gethmann Jörn , Lachmann Raskit , Lamparter Marina , Mayer-Scholl Anne , Meinen Anika , Schöl Meike , Suwono Beneditta
Published: May 2023

Bakterielle zoonotische Erreger sind häufig Auslöser von Erkrankungen mit teilweise schweren Verläufen. Sie sind wechselseitig zwischen Tieren (sowohl Wild- als auch Haustieren) und Menschen übertragbar. Die Transmissionswege sind sehr variabel, so kann die Übertragung u. a. durch orale Aufnahme über Lebensmittel, respiratorische Aufnahme über Tröpfchen und Aerosole sowie über Vektoren wie Zeckenstiche oder Nagerkontakte stattfinden. In diesem Zusammenhang sind auch das Auftreten und die Verbreitung von antibiotikaresistenten bakteriellen Erregern von zunehmender Bedeutung für den öffentlichen Gesundheitsschutz.

Die Ausbreitung zoonotischer Erreger wird aktuell durch zahlreiche Faktoren verstärkt. Dazu gehören die Zunahme des internationalen Warenverkehrs, die Einengung der Lebensräume von Tieren und der dadurch zunehmend engere Kontakt zwischen Menschen und Wildtieren. Aber auch eine veränderte Tierhaltung in der Landwirtschaft und Klimaveränderungen können zur Ausbreitung beitragen. Der öffentliche Gesundheitsschutz und die Erforschung von Zoonosen sind deshalb von besonderer krankheitspräventiver, aber auch gesellschaftlicher, politischer und wirtschaftlicher Bedeutung.

Ziel dieses Übersichtsartikels ist es, anhand von Beispielen die Spannbreite von Infektionskrankheiten darzustellen, die durch bakterielle zoonotische Erreger ausgelöst werden. Die unterschiedlichen Transmissionswege, epidemischen Potenziale und epidemiologischen Maßzahlen der beispielhaft gewählten Krankheiten sind Herausforderungen für den öffentlichen Gesundheitsdienst, den Tiergesundheitsdienst und die Lebensmittelüberwachung, deren Aufgabe es ist, die Bevölkerung vor diesen Infektionskrankheiten zu schützen.
New insights into the pre-ignition behavior of methane behind reflected shock waves
Authors: Caravaca-Vilchez J. , Heufer K. A.
Published: May 2023

Pre-ignition is an undesired combustion event known to restrict kinetic modeling validation. Previous methane oxidation studies reported premature ignition as part of ignition delay time measurements in shock tubes. In this context, the effect on the pre-ignition propensity and auto-ignition behavior of stoichiometric methane mixtures at different dilution levels of $$\hbox {N}_2$$

N
2

, Ar, He, and $$\hbox {CO}_2$$

CO
2

was studied at 10 bar and 25 bar and temperatures between 1080 K and 1350 K. In addition to conventional sidewall pressure and endwall light emission measurements, a high-speed imaging setup was utilized to visualize the ignition process. Relevant physicochemical parameters to describe and predict the pre-ignition phenomenon were used. The results suggest that dilution levels up to $$80\%$$

80
%

of bath gas are not successful in mitigating early ignition occurrence and its effects at moderate pressures. Replacing $$\hbox {N}_2$$

N
2

by He was found to suppress early ignition at 10 bar, attributed to an enhanced dissipation of temperature inhomogeneities in the test gas section. The present findings demonstrate that $$\hbox {CO}_2$$

CO
2

has potential for pre-ignition heat release mitigation, while Ar was confirmed to promote premature ignition. To the best of our knowledge, we present the first detailed study on pre-ignition mitigation for methane mixtures in shock tubes, where further insights into its ignition non-idealities are given.