bluuebunny/crossref_metadata_2025 huggingface dataset:
Impact of non‐thermal processing on the nutritional quality and bioactive properties of industrial hempseed flours and protein isolate
Authors: Nguyen Anh T. L. , Aryee Alberta N. A.
Published: April 2024

There is an unmet demand for plant‐based ingredients with desirable nutritional, techno‐functional properties, and health benefits. In this study, the composition, nutritional quality, and bioactives in industrial hempseed flours and protein isolate generated by milling, germination, isoelectric precipitation (IEP), and enzyme‐assisted extraction (EAE) were evaluated. Moisture, ash, fat, protein, phytic acid, tannin, and trypsin inhibitor content of the hempseed flours and protein isolate were 2.80%–6.46%, 5.07%–28.89%, 0.00%–31.44%, 22.71%–89.94%, 0.55%–1.05%, 274.24–1300.76 μg/g, and 0.00–42.66 U/g, respectively. IEP resulted in the highest protein content (89.94%), indicative of its effective to isolate hempseed protein. Germination and IEP significantly reduced phytic acid and tannin contents by 1.53‐ and 3.63‐fold, respectively. All processing methods improved in vitro protein digestibility (IVPD). SDS‐PAGE analysis revealed comparable band patterns in milled and protein isolate, with a strong 50 kDa band attributed as edestin. Amino acid analysis showed that EAE augmented total essential amino acids, particularly protease. Milling and pronase treatment yielded the highest and lowest IVPD‐corrected amino acid score (IVPDCAAS) of 76% and 47%, respectively. Milled and germinated flours contained varying amounts of γ‐tocopherol, lutein, zeaxanthin, α‐carotene, and β‐carotene. Germinated flour exhibited elevated levels of total phenolic (14.36 mg/g), and flavonoid (1.76 mg/g) contents, FRAP, TEAC, and DPPH compared to the other flours suggesting superior antioxidant capacity. Strong positive correlations (r >0.70) were found between IVPD and phytic acid for the protein isolate, total phenolic content, and FRAP for IEP and germinated flours. Overall, hempseed flours with diverse properties could be produced using non‐thermal processing.
A method for pH food dependent shelf‐life prediction of intelligent sustainable packaging device using artificial neural networks
Authors: Brazolin Isadora Fernandez , Sousa Felipe Matheus Mota , dos Santos Jackson Wesley Silva , Concha Viktor Oswaldo Cárdenas , da Silva Flavio Vasconcelos , Yoshida Cristiana Maria Pedroso
Published: April 2024

Intelligent packaging systems can contribute to easily informing the quality of products. Tools such as artificial neural networks (ANN) have the potential to be used in the development of intelligent packaging. The objective of this work was the development and training of an ANN to facilitate the control of foods from the pH variation based on a sustainable colorimetric indicator of chitosan‐anthocyanin. The pH intelligent films were prepared with different concentrations of chitosan (Cch, 0.5%, 1.0%, and 2.0%, w/w) and anthocyanin (Cath, 0.5%, 1.0%, and 2.0%, w/w). The films were characterized by water solubility, mechanical properties, and thermal analyses. The colorimetric efficiency of the pH intelligent films was measured by immersing the material in a wide pH range (1.20–12.58) buffer solution, determining the color parameters L*, a*, and b*. From the experimental results, a database was built to develop an empirical multivariable model based on ANN. Higher Cch increases the solubility and resistance of intelligent films. Color variation was better identified in films containing Cath = 0.5%. The ANN presented assertiveness of 79%, showing that classification algorithms based on colorimetric measurements can be exploited to indicate alterations in food products resulting from pH variation.
Identification of active main metabolites of anti‐infective inhibitors of the macrophage infectivity potentiator protein by liquid chromatography using mass detection
Authors: Lohr Theresa , Scheuplein Nicolas Julian , Jenkins Christopher , Norville Isobel , Erk Christine , Stapf Maximilian , Kirchner Lukas , Sarkar‐Tyson Mitali , Holzgrabe Ulrike
Published: April 2024

Due to increasing antibiotic resistance, the development of anti‐infectives with new mechanisms of action is crucial. Virulence factors such as the “macrophage infectivity potentiator” (Mip) protein, which catalyzes the folding of proline‐containing proteins by means of their cis–trans isomerase (PPIase) activity, have come into focus as a potential new target. Since the inhibition of Mip by small molecules has been shown to lead to reduced virulence and survival in vitro, especially of Gram‐negative bacteria such as Burkholderia pseudomallei (Bp), Neisseria meningitidis (Nm), and Neisseria gonorrhoeae (Ng), or Coxiella burnetii (Cb), among many others, a library of Mip inhibitors was developed. As drug metabolism has a significant impact on the overall therapeutic outcome, this report describes the biotransformation of the most potent Mip inhibitors. Therefore, the anti‐infectives were treated using human liver microsomes in vitro. Liquid chromatography with tandem mass spectrometry (LC/MS‐MS) methods were applied to identify the metabolites and quantify the metabolic degradation of the hit compounds. Active metabolites, N‐oxides, were found, leading to new opportunities for further drug development.
Synthesis of the chromone‐thiosemicarbazone scaffold as promising α‐glucosidase inhibitors: An in vitro and in silico approach toward antidiabetic drug design
Authors: Alharthy Rima D. , Khalid Sana , Fatima Shamool , Ullah Saeed , Khan Ajmal , Mali Suraj N. , Jawarkar Rahul D. , Dhabarde Sanjay S. , Kashtoh Hamdy , Taslimi Parham , Al‐Harrasi Ahmed , Shafiq Zahid , Boshta Nader M.
Published: April 2024

Diabetes is a serious metabolic disorder affecting individuals of all age groups and prevails globally due to the failure of previous treatments. This study aims to address the most prevalent form of type 2 diabetes mellitus (T2DM) by reporting on the design, synthesis, and in vitro as well as in silico evaluation of chromone‐based thiosemicarbazones as potential α‐glucosidase inhibitors. In vitro experiments showed that the tested compounds were significantly more potent than the standard acarbose, with the lead compound 3n exhibiting an IC50 value of 0.40 ± 0.02 μM, ~2183‐fold higher than acarbose having an IC50 of 873.34 ± 1.67 μM. A kinetic mechanism analysis demonstrated that compound 3n exhibited reversible inhibition of α‐glucosidase. To gain deeper insights, in silico molecular docking, pharmacokinetics, and molecular dynamics simulations were conducted for the investigation of the interactions, orientation, stability, and conformation of the synthesized compounds within the active pocket of α‐glucosidase.
E2F transcription factors promote tumorigenicity in pancreatic ductal adenocarcinoma
Authors: Bertonnier‐Brouty Ludivine , Andersson Jonas , Kaprio Tuomas , Hagström Jaana , Bsharat Sara , Asplund Olof , Hatem Gad , Haglund Caj , Seppänen Hanna , Prasad Rashmi B. , Artner Isabella
Published: April 2024

Background

Pancreatic ductal adenocarcinoma (PDAC) is one of the most lethal cancers with limited treatment options, illustrating an urgent need to identify new drugable targets in PDACs.

Objective

Using the similarities between tumor development and normal embryonic development, which is accompanied by rapid cell expansion, we aimed to identify and characterize embryonic signaling pathways that were reinitiated during tumor formation and expansion.

Methods and Results

Here, we report that the transcription factors E2F1 and E2F8 are potential key regulators in PDAC. E2F1 and E2F8 RNA expression is mainly localized in proliferating cells in the developing pancreas and in malignant ductal cells in PDAC. Silencing of E2F1 and E2F8 in PANC‐1 pancreatic tumor cells inhibited cell proliferation and impaired cell spreading and migration. Moreover, loss of E2F1 also affected cell viability and apoptosis with E2F expression in PDAC tissues correlating with expression of apoptosis and mitosis pathway genes, suggesting that E2F factors promote cell cycle regulation and tumorigenesis in PDAC cells.

Conclusion

Our findings illustrate that E2F1 and E2F8 transcription factors are expressed in pancreatic progenitor and PDAC cells, where they contribute to tumor cell expansion by regulation of cell proliferation, viability, and cell migration making these genes attractive therapeutic targets and potential prognostic markers for pancreatic cancer.
Identifying priority areas to support primary care engagement in breast cancer survivorship care: A Delphi study
Authors: Mikesell Lisa , O'Malley Denalee M. , Kurtzman Rachel T. , Howard Jenna , Bates Benjamin , Hemler Jennifer R. , Fadem Sarah J. , Ferrante Jeanne M. , Bator Alicja , Hudson Shawna V. , Crabtree Benjamin F.
Published: April 2024

Introduction

Existing approaches in cancer survivorship care delivery have proven to be insufficient to engage primary care. This study aimed to identify stakeholder‐informed priorities to improve primary care engagement in breast cancer survivorship care.

Methods

Experts in U.S. cancer survivorship care delivery were invited to participate in a 4‐round online Delphi panel to identify and evaluate priorities for defining and fostering primary care's engagement in breast cancer survivorship. Panelists were asked to identify and then assess (ratings of 1–9) the importance and feasibility of priority items to support primary care engagement in survivorship. Panelists were asked to review the group results and reevaluate the importance and feasibility of each item, aiming to reach consensus.

Results

Respondent panelists (n = 23, response rate 57.5%) identified 31 priority items to support survivorship care. Panelists consistently rated three items most important (scored 9) but with uncertain feasibility (scored 5–6). These items emphasized the need to foster connections and improve communication between primary care and oncology. Panelists reached consensus on four items evaluated as important and feasible: (1) educating patients on survivorship, (2) enabling screening reminders and monitoring alerts in the electronic medical record, (3) identifying patient resources for clinicians to recommend, and (4) distributing accessible reference guides of common breast cancer drugs.

Conclusion

Role clarity and communication between oncology and primary care were rated as most important; however, uncertainty about feasibility remains. These findings indicate that cross‐disciplinary capacity building to address feasibility issues may be needed to make the most important priority items actionable in primary care.
Wound Healing Activity of Topical Herbal Gels Containing Barringtonia acutangula Fruit Extract: In silico and In vivo Studies
Authors: Priyanka Kumari , Sahoo Rudra Narayan , Nanda Ashirbad , Kanhar Satish , Das Chandan , Sahu Abhijit , Naik Pradeep Kumar , Nayak Amit Kumar
Published: April 2024

The current study describes the efficacy of B. acutangula fruit extract in wound healing via incorporation within topical gels. B. acutangula fruit extract was produced by solvent extraction method. The bioactive extract was incorporated within Carbopol 940‐based topical gels, which were applied topically over the excision and incision wounds. The change in healing process was observed till 20 days. The percentages of closure of excision wound area were 92.89 % and 93.43 %, when treated with topical herbal gels containing B. acutangula fruit extract of 5 % and 10 %, respectively. The tensile strengths of incision area in rats treated with topical herbal gels containing 5 % and 10 % methanol extract of B. acutangula fruits were found to be 25±5.12 g and 30±4.10 g, respectively. The wound healing activity of topical herbal gels containing B. acutangula fruit extract in rats was found to be significant when compared with that of the reference standard and untreated groups. In addition, in silico studies suggested about good skin permeability and binding to the proteins responsible for delaying wound healing. It can be concluded that this topical herbal gels containing B. acutangula fruit extract could be used clinically for the treatment of wounds.
Stable CAAC‐Triazenes: A New Nitrogen Ligand System With Donor and Conformational Flexibility, and With Application in Olefin Activation Catalysis
Authors: Race James J. , Hudson Luke A. , Albrecht Martin
Published: April 2024

N‐heterocyclic imines such as pyridylidene amines impart high catalytic activity when coordinated to a transition metal, largely imposed by their electronic flexibility. Here, this donor flexibility has been applied for the first time to CAAC‐based systems through the synthesis of CAAC‐triazenes. These new ligands offer a larger π‐conjugation that extends from the N‐heterocyclic carbene through three nitrogens rather than just one, as observed in N‐heterocyclic imines. We demonstrate the straightforward synthesis of three new CAAC‐triazenes containing different substituents on the terminal triazene nitrogen. These compounds are remarkably stable up to 120 °C without loss of N2 as typically observed with similar triazenes. E‐to‐Z isomerization within the triazene is instigated by UV light and is partially reversible dependent on the triazene substituent. The quinoline‐substituted CAAC‐triazene 1‐Q has been applied as an L,L’‐type ligand in the synthesis of [PdCl2(1‐Q)], [PdCl(Me)(1‐Q)] and [Pd(Me)(H2O(1‐Q)]+. E‐to‐Z ligand isomerization also occurs when coordinated to PdCl2, providing access to on‐metal manipulation. The cationic complex [PdMe(H2O)(1‐Q)]+ is a precatalyst for oligomerization of ethylene to form initially 2‐butene and subsequently linear and branched C8−C12 products from butene activation. Moreover, isomerization of 1‐hexene takes place efficiently with exceptionally low catalyst loading (10 ppm) and up to 74,000 turnover numbers.
Applicability and Validity of CFD‐based Compartment Models for One to Multiple Operating Points
Authors: Schwarz Sebastian , Grünewald Marcus
Published: April 2024

CFD‐based compartment (CPT) models offer a promising modeling method and trade‐off between computational effort and required accuracy. The models combine the relevant fluid dynamics from the computational expensive CFD and the incorporation of complex reaction mechanisms usually used in basic reactor models. However, one criticism is their reliance on specific operating points, rendering them invalid when boundary conditions change. This study explores using a CFD‐based CPT model for static mixing elements across multiple operating points by making use of the creeping flow. The mean age theory facilitates a comprehensive comparison between CFD and CPT models. Results indicate that within this flow region, the CPT model can be extrapolated to other operating points via linear scaling.
Electroosmotic Sensing of Uncharged Peptides and Differentiating Their Phosphorylated States Using Nanopores
Authors: Si Wei , Chen Jiayi , Zhang Zhen , Wu Gensheng , Zhao Jiajia , Sha Jingjie
Published: April 2024

The correct characterization and identification of different kinds of proteins is crucial for the survival and development of living organisms, and proteomics research promotes the analysis and understanding of future genome functions. Nanopore technique has been proved to accurately identify individual nucleotides. However, accurate and rapid protein sequencing is difficult due to the variability of protein structures that contains more than 20 amino acids, and it remains very challenging especially for uncharged peptides as they can not be electrophoretically driven through the nanopore. Graphene nanopores have the advantages of high accuracy, sensitivity and low cost in identifying protein phosphorylation modifications. Here, by using all‐atom molecular dynamics simulations, charged graphene nanopores are employed to electroosmotically capture and sense uncharged peptides. By further mimicking AFM manipulation of single molecules, it is also found that the uncharged peptides and their phosphorylated states could also be differentiated by both the ionic current and pulling force signals during their pulling processes through the nanopore with a slow and constant velocity. The results shows ability of using nanopores to detect and discriminate single amino acid and its phosphorylation, which is essential for the future low‐cost and high‐throughput sequencing of protein residues and their post‐translational modifications.
Corporate social responsibility practices and value creation through open innovation approach: Evidence from the STOXX Europe 600 Index
Authors: Martielli Francesco , Salvi Antonio , Doronzo Emanuele
Published: April 2024

In the current business setting, companies must adopt new practices to remain competitive due to complex products, changing market demands, and stakeholder pressures. Many successful businesses are turning to sustainability‐oriented innovations as a means of both increasing their growth potential and engaging in corporate social responsibility practices. This approach benefits both the company and society. However, the full potential of implementing sustainability practices through open innovation has yet to be fully explored, and the impact on firm value is unclear. Additionally, there is currently a lack of international standards for representing sustainability as an open innovation approach. This study aims to shed light on the potential benefits of adopting sustainable practices through the open innovation approach. We highlight the value that sustainable innovation can create and analyze a sample of European‐listed companies from the STOXX Europe 600 Index from 2011 to 2020. Our findings show that the ESG score best represents sustainability as an open innovation approach. Moreover, we demonstrate that adopting sustainability as an open innovation approach practice positively impacts firm value. This suggests that companies can enhance their value and promote sustainable innovation success by embracing this approach. Overall, this paper contributes to the literature on sustainability and open innovation, specifically within the legitimacy theory framework. It emphasizes that stakeholder pressure to build a more sustainable and ethical economic system presents a challenge that can also be an opportunity for companies.
Identification and characterisation of novel CAR‐T cells to target IL13Rα2 positive human glioma in vitro and in vivo
Authors: Leland Pamela , Degheidy Heba , Lea Ashley , Bauer Steven R. , Puri Raj K. , Joshi Bharat H.
Published: April 2024

Background

Previously, we discovered that human solid tumours, but not normal human tissues, preferentially overexpress interleukin‐13Receptor alpha2, a high binding receptor for IL‐13. To develop novel anti‐cancer approaches, we constructed a chimeric antigen receptor construct using a high binding and codon optimised scFv‐IL‐13Rα2 fragment fused with CD3ζ and co‐stimulatory cytoplasmic domains of CD28 and 4‐1BB.

Methods

We developed a scFv clone, designated 14‐1, by biopanning the bound scFv phages using huIL‐13Rα2Fc chimeric protein and compared its binding with our previously published clone 4‐1. We performed bioinformatic analyses for complementary determining regions (CDR) framework and residue analyses of the light and heavy chains. This construct was packaged with helper plasmids to produce CAR‐lentivirus and transduced human Jurkat T or activated T cells from peripheral blood mononuclear cells (PBMCs) to produce CAR‐T cells and tested for their quality attributes in vitro and in vivo. Serum enzymes including body weight from non‐tumour bearing mice were tested for assessing general toxicity of CAR‐T cells.

Results

The binding of 14‐1 clone is to IL‐13Rα2Fc‐chimeric protein is ∼5 times higher than our previous clone 4‐1. The 14‐1‐CAR‐T cells grew exponentially in the presence of cytokines and maintained phenotype and biological attributes such as cell viability, potency, migration and T cell activation. Clone 14‐1 migrated to IL‐13Rα2Fc and cell free supernatants only from IL‐13Rα2+ve confluent glioma tumour cells in a chemotaxis assay. scFv‐IL‐13Rα2‐CAR‐T cells specifically killed IL‐13Rα2+ve but not IL‐13Rα2‐ve tumour cells in vitro and selectively caused significant release of IFN‐γ only from IL‐13Rα2+ve co‐cultures. These CAR‐T cells regressed IL‐13Rα2+ve glioma xenografts in vivo without any general toxicity. In contrast, the IL‐13Rα2 gene knocked‐down U251 and U87 xenografts failed to respond to the CAR‐T therapy.

Conclusion

Taken together, we conclude that the novel scFv‐IL‐13Rα2 CAR‐T cell therapy may offer an effective therapeutic option after designing a careful pre‐clinical and clinical study.
‘Acceptance of diversity’…but not too much? (Restricted) pathways towards transgender and intersex inclusivity in sex education curriculum guidelines
Authors: Fedorchenko Ayla
Published: April 2024

Positive representation of LGBTQIA+ perspectives in curriculum can help improve well‐being of transgender and intersex students. However, research on sex education curriculum indicates that the experiences of intersex and transgender students are largely absent in the respective curriculum or constructed as other, pathologized or stigmatized. These discourses of silence and stigmatization negatively affect transgender and intersex students and prevent all students from getting informed and affirmative sex education on gender and body diversity. This study explores how curriculum documents for sex education in Europe and Germany may be facilitating or limiting the (de‐hierarchized) inclusion of diversity regarding gender and sex/body characteristics. The study employs a structuring qualitative content analysis. Thematic summaries and analysis through the lens of heteronormativity are used to examine how diverse subjectivities are made (in)visible, normalized or othered through the lexical choices and the general framing of the curriculum documents, as well as how binary categorizations are deconstructed and power relations subverted. Key findings indicate that some curricula, while strongly promoting diversity or explicitly including intersex and transgender as topics, are worded in ways that contribute to the normalization of cisgender and endosex experiences, while transgender or intersex perspectives are either fully silenced or othered. The data also reveal power‐critical approaches, in which transgender and intersex are affirmatively included, cis‐ and endonormativity is disrupted and which encourage a critical engagement with societal power relations.
An ameliorated localization algorithm for compensating stratification effect based on improved underwater salp swarm optimization technique
Authors: Yadav Nishi , Mohan Khilar Pabitra , Sharma Suraj
Published: April 2024

The underwater acoustic sensor network is a fundamental source for ocean exploration. The potential applications of underwater acoustic sensor network (UASN) include seismic imaging, disaster prevention, mine reconnaissance, pollution monitoring, exploration of natural resources, and military surveillance. To acquire accurate results, implementing all applications of underwater sensor networks requires an adequate network connection and communication technology. The precise placement of underwater sensor nodes needs to be identified in order to achieve effective communication. To accomplish the requirement, the paper presents an efficient localization algorithm to compensate the stratification effect based on an improved underwater salp swarm optimization technique (LAS‐IUSSOT). To compute the location of sensor nodes with high accuracy, the nodes are initially randomly deployed in three‐dimensional underwater acoustic sensor network (3D‐UASN). After that, the hybridization of centroid‐based localization and the ray theory technique is used, and then, the degree of coplanarity is analyzed among the underwater sensor nodes. Then, the computation of the location of unknown nodes is performed using improved underwater salp swarm optimization technique (IUSSOT) to obtain the optimized location and compensate the impact of the stratification. The comparison of the simulation results of the existing algorithm and the proposed algorithm is performed. The LAS‐IUSSOT achieves 40.46% and 28.00% accuracy in terms of localization of underwater sensor nodes for both the sparse and dense regions in 3D‐UASN. The LAS‐IUSSOT achieves 49.39% and 62.57% accuracy in terms of ranging of underwater sensor nodes for both the sparse and dense regions in 3D‐UASN. Simulation results illustrate that the proposed algorithm outperforms the existing algorithm in terms of localization and ranging accuracy in both sparse and dense regions in 3D‐UASN, root mean square error (RMSE), normalized localization error (NLE), computation time, and convergence rate.
Cost‐effectiveness of temperature monitoring to help prevent foot ulcer recurrence in people with diabetes: A multicenter randomized controlled trial
Authors: Van Netten Jaap J. , Aan De Stegge Wouter B. , Dijkgraaf Marcel G. W. , Bus Sicco A.
Published: April 2024

Aims

Diabetes‐related foot ulcers are common, costly, and frequently recur. Multiple interventions help prevent these ulcers. However, none of these have been prospectively investigated for cost‐effectiveness. Our aim was to evaluate the cost‐effectiveness of at‐home skin temperature monitoring to help prevent diabetes‐related foot ulcer recurrence.

Materials and Methods

Multicenter randomized controlled trial. We randomized 304 persons at high diabetes‐related foot ulcer risk to either usual foot care plus daily at‐home foot skin temperature monitoring (intervention) or usual care alone (control). Primary outcome was cost‐effectiveness based on foot care costs and quality‐adjusted life years (QALY) during 18 months follow‐up. Foot care costs included costs for ulcer prevention (e.g., footwear, podiatry) and for ulcer treatment when required (e.g., consultation, hospitalisation, amputation). Incremental cost‐effectiveness ratios were calculated for intervention versus usual care using probabilistic sensitivity analysis for willingness‐to‐pay/accept levels up to €100,000.

Results

The intervention had a 45% probability of being cost‐effective at a willingness‐to‐accept of €50,000 per QALY lost. This resulted from (non‐significantly) lower foot care costs in the intervention group (€6067 vs. €7376; p = 0.45) because of (significantly) fewer participants with ulcer recurrence(s) in 18 months (36% vs. 47%; p = 0.045); however, QALYs were (non‐significantly) lower in the intervention group (1.09 vs. 1.12; p = 0.35), especially in those without foot ulcer recurrence (1.09 vs. 1.17; p = 0.10).

Conclusions

At‐home skin temperature monitoring for diabetes‐related foot ulcer prevention compared with usual care is at best equally cost‐effective. The intervention resulted in cost‐savings due to preventing foot ulcer recurrence and related costs, but this came at the expense of QALY loss, potentially from self‐monitoring burdens.
Diaminomaleonitrile – Mono‐, Di‐ …and Tetraprotonation?!
Authors: Nitzer Alexander , Manhart Pauline , Jessen Christoph , Kornath Andreas J.
Published: April 2024

The successful mono‐ and diprotonation of DAMN showed the first site of protonation to be an amino group, while the second protonation occurs at a nitrile group. The prepared salts were characterized by vibrational spectroscopy and single crystal X‐ray crystallography. Under strong superacidic conditions and with sufficient time cyclization of two (di)protonated molecules of DAMN is observed, yielding a tetracationic pyrazine species. Quantum chemical calculations are employed to explain reactivity and properties of compounds shown in the manuscript.
Total Synthesis of the Naturally Occurring Cyclic Tetrapeptide JM‐47and Analogues through Late‐Stage Functionalization of a Common Scaffold
Authors: Ghosh Rajat , Chattopadhyay Shital K.
Published: April 2024

A unified approach to access the naturally occurring cyclic tetrapeptide JM‐47 and some of its structural variants from a common macrocyclic scaffold has been developed. The key reactions involved a difficult macrocyclization to access the scaffold, and its late‐stage diversification by cross‐metathesis to access the natural product as well as analogues. The synthesis proceeded in good overall yield and high stereochemical integrity. It also confirms the structure and configuration assigned to JM‐47.
2‐Methylene‐1,2‐dihydropyridines (2‐pyNHOs): Highly Nucleophilic Enamines
Authors: Behnke Annika , Eitzinger Andreas , He Yijie , Antoni Patrick W. , Ofial Armin R. , Hansmann Max M.
Published: April 2024

The high reactivity of 2‐methylene‐1,2‐dihydropyridines also known as 2‐methylpyridinium derived N‐heterocyclic olefins (2‐pyNHOs) has been recognized in organic synthesis, yet a quantification of their nucleophilicity is lacking. Herein we used stopped‐flow photometry to determine the nucleophilicity of a series of 2‐pyNHOs from the kinetics of their reactions with quinone methides and benzhydrylium ions as reference electrophiles in four organic solvents at 20 °C. The kinetic data was evaluated by using the Mayr‐Patz equation, lg k(20 °C)=sN(N+E), which gave nucleophilicity parameters N (and sN). With N in the range of 19.4–21.2 (in DMSO), 2‐pyNHOs exceed the reactivity of classical enamines, such as pyrrolidino‐cyclopent‐1‐ene. The addition of 2‐pyNHOs to quinone methides resulted in the formation of zwitterionic adducts with pyridinium and phenolate moieties. Subsequent tautomerization yielded entirely neutral pyridine‐2(1H)‐ylidene‐phenol species in several cases. Formation of the zwitterionic adducts from 2‐pyNHOs and neutral electrophiles was almost equally fast in the polar solvents acetonitrile and DMSO, but proceeded one to two orders of magnitude slower in the less polar solvents dichloromethane or THF.
Full‐scale measurements of thunderstorm outflows in the Northern Mediterranean
Authors: Canepa F. , Repetto M. P. , Burlando M.
Published: April 2024

Downbursts are severe wind systems originating from thunderstorm clouds, and their strong horizontal outflows can pose serious hazards to natural and built environments. In the context of the activities of the European project THUNDERR—Detection, simulation, modelling and loading of thunderstorm outflows to design wind‐safer and cost‐efficient structures—a comprehensive database of full‐scale downburst measurements was built. All records were acquired by bi‐ or tri‐axial ultrasonic anemometers installed in the main ports of the High Tyrrhenian Sea, namely Genova, Livorno and La Spezia, within the European projects ‘Wind and Ports’ and ‘Wind, Ports and Sea’. The very limited space and time structure of downburst outflows makes the available records in nature inadequate for developing models that could be used in the atmospheric science and engineering communities. The database described herein represents a step forward in attempting to fill this gap. The downburst nature of all events contained in the dataset was verified through detailed meteorological analyses, including comparisons with radar and satellite images and lightning recordings. The wind speed records associated with the events detected by the anemometric network are made publicly available through the online repository Zenodo and can be reused for multiple purposes. The dataset is expected to convey an important impulse towards the physical characterization and modelling of downburst winds and their codification into design tools for the assessment of wind loading and its effects on structures and infrastructure. Furthermore, it could serve as a promising, essential tool for researchers and risk‐related insurance companies.
“WOOP is my safe haven”: A qualitative feasibility and acceptability study of the Wish Outcome Obstacle Plan (WOOP) intervention for spouses of people living with early‐stage dementia
Authors: Mroz Emily L. , Schwartz Anna E. , Valeika Sarah , Oettingen Gabriele , Marottoli Richard , David Daniel , Hagaman Ashley , Fedus Donna , Monin Joan K.
Published: April 2024

Objectives

As symptoms emerge and worsen in people living with dementia, their spouses can benefit from behavioral interventions to support their adjustment as a care partner. The Wish Outcome Obstacle Plan (WOOP) intervention improves the well‐being of spouses of people living with dementia early in the disease course, but intervention mechanisms and opportunities for improvement are unclear. The present study gave voice to spouses who participated in a trial of WOOP, describing how WOOP was incorporated into their lives and how it could be improved for future implementation.

Method

For this qualitative study, we conducted longitudinal semi‐structured interviews among 21 spouses of people living with dementia (three interviews over three months; 63 interviews total). Codebook thematic analysis was performed.

Results

Three meta‐themes were derived: (1) assessing baseline strengths and limitations of WOOP, (2) learning from experience, and (3) fine‐tuning and sustaining WOOP. Participants described how WOOP addressed their interpersonal and emotional stressors, their responses to behaviors of the person living with dementia, and their relationship quality. Considerations for future intervention delivery (e.g., solo vs. in group settings) and instructions (e.g., encouraging writing vs. thinking through the four steps of WOOP) were identified as areas of improvement.

Conclusions

WOOP was described as a practical, feasible, and desirable intervention for spouses at the early stages of their partner's dementia. Participants made WOOP easier to incorporate in their everyday lives by adapting the design into a mental exercise that they used as needed. Suggestions from participants specified how to make the everyday use of WOOP more feasible, sustainable, and applicable in a variety of contexts.

Trial Registration

ClinicalTrials.gov HIC 2000021852.
Evaluation of anterolateral ligament healing in patients with anterior cruciate ligament injury without anterior cruciate ligament reconstruction and its relationship with clinical examination tests
Authors: Ateş Okan , Oğul Ahsen
Published: April 2024

Purpose

This study radiologically investigated the potential of preoperative recovery of the anterolateral ligament (ALL) in patients who did not undergo anterior cruciate ligament reconstruction (ACLR) surgery in the early stages despite surgical indication. The secondary aim was to investigate the relationship between ALL injuries in magnetic resonance imaging (MRI) and the results of Lachman and pivot shift tests performed preoperatively and postoperatively under anaesthesia among patients who underwent ACLR in acute and chronic stages.

Methods

The study examined 100 patients aged 19–51 years who underwent anatomic single bundle ACLR using hamstring autografts for the ACL. Based on the time between the injury and ACLR, they were divided into acute (≤6 months) and chronic (>6 months) groups. The chronic group had three subgroups of ACLR times: 7–12, 13–24 and >24 months. Complete recovery was defined as a change from grade B or C upon injury to grade A before surgery according to the Muramatsu MRI classification. The relationship between preoperative and postoperative Lachman grades and pivot shifting test results and the degree of ALL injury was evaluated.

Results

In the chronic group, 19/61 patients (31.1%) had preoperative grade A, and 4/61 patients (6.5%) had grade A at the time of injury. In the acute group, 22/29 patients with grades B and C (76%) had grade 3 preoperative pivot shifting. In the acute group, grades 1 and 2 were more common in patients with grades B and C (10/29, 35%) than grade A (0/10, 0.0%).

Conclusion

The improvement rate was 24.6% among patients who did not receive ACLR in the acute phase and underwent ACLR in the chronic phase. In the acute group, the degree of ALL damage was related to the pivot shift results. However, the results in the chronic phase were not associated with the degree of injury.

Level of Evidence

Level IV.
High incidence of RAMP lesions and a nonnegligible incidence of anterolateral ligament and posterior oblique ligament rupture in acute ACL injury
Authors: D'Ambrosi Riccardo , Sconfienza Luca Maria , Albano Domenico , Messina Carmelo , Mangiavini Laura , Ursino Nicola , Rinaldi Simone , Zanirato Andrea , Tagliafico Alberto , Formica Matteo
Published: April 2024

Purpose

The purpose of this study was to assess the frequency of medial collateral ligament (MCL), posterior oblique ligament (POL) and anterolateral ligament (ALL) tears and different types of RAMP lesions of patients with verified acute anterior cruciate ligament (ACL) tears by magnetic resonance imaging (MRI).

Methods

MRI was performed on patients with a clinical diagnosis of acute ACL injury. Patients were eligible for inclusion if they had an initially clinically noted ACL tear confirmed on MRI within 30 days of trauma.

Results

A total of 146 patients were included in the study, 42 (28.8%) females and 104 (71.2%) males. The mean age at MRI was 27.2 ± 9.4 years, and the mean time from injury to MRI was 15.7 ± 7.8 days. Thirty‐four (23.3%) patients had a complete MCL lesion, 32 (21.9%) had a complete POL lesion and 28 (19.2%) had a complete ALL lesion. One hundred and fourteen patients (78.1%) presented with RAMP lesions, while 20 (13.7%) patients reported other meniscal lesions. The mean medial and lateral tibial slopes were 4.0° ± 2.7° and 4.0° ± 3.1°, respectively. Only 10 (6.8%) patients reported no lesions associated with ACL rupture. The most common injuries were isolated RAMP type 3 (18–12.3%) and isolated RAMP type 1 (17–11.6%). Thirteen (8.9%) patients had a combination of MCL, POL and ALL rupture.

Conclusions

Isolated lesions of the ACL are extremely rare. In most cases, a single RAMP lesion should be investigated. In the presence of MCL injury, POL injury should always be suspected as well, while nearly 20% of patients present a rupture of the ALL. About one in 10 patients had three lesions (MCL, ALL and POL), and most of them had a combined RAMP lesion.

Level of Evidence

Level IV.
Patient authorship of medical research publications: An evolution, revolution, and solution?
Authors: Woolley Karen L. , Stones Simon R. , Stephens Richard , Bharadia Trishna , Yamamoto Beverley , Geissler Jan , Yang Bella , Oliver Jacqui , Boughey Amanda , Elliott Catherine , Dormer Laura , Walker Joanne , Lobban Dawn
Published: April 2024

Key points

Patient authorship is a new topic in medical publishing, with the number of patient‐authored publications growing rapidly.

Publication stakeholders (e.g., editors, publishers, funders, researchers) should be aware of the legitimacy of patient authorship.

Practical actions can be taken by different publication stakeholders to encourage and support patient authorship—ethically and effectively.

Patient authorship can contribute to enhancing diversity, equity, and inclusion in medical publishing.

Research on patient authorship could be strengthened with consensus on publication tagging practices (e.g., affiliation terms) and the use of artificial intelligence.

A plain language summary of this article and the GRIPP2 form for reporting patient involvement are available as supplementary information.
Transformation of Longitudinally Customizable Curved Vector Vortex Beams Using Dielectric Metasurface
Authors: Yang Jingyu , Zhao Ruizhe , Li Yuzhao , Tian Chenyi , Ji Xu , Li Xiaowei , Li Junjie , Wang Yongtian , Huang Lingling
Published: April 2024

In recent years, the emergence of metasurfaces has brought revolutionary changes to the generation and processing of vortex beams, triggering widespread research interest. Meanwhile, the longitudinally varying features of propagating beams provide new design freedom for realizing multi‐dimensional optical manipulation and promote the advancements of related areas such as microscopic detection, microfabrication, and biomedical applications. In addition, self‐accelerating Bessel beams are promising for a wide range of applications such as particle manipulation and medicine due to their nondiffracting, self‐healing as well as obstacle avoidance properties. In this paper, a novel kind of curved transmitted high‐order Bessel beams with longitudinally varying features based on form‐birefringent metasurface, by simultaneously manipulating the phase profiles of output orthogonal polarization components is demonstrated. Multiple dimensions of the beam, including the propagation trajectory, polarization state, and orbital angular momentum, can be tailored arbitrarily. For verifying the feasibility of the demonstrated method, two samples with different propagation trajectories, as well as different variations of orbital angular momentum, are designed and experimentally demonstrated. Such a novel approach can open new doors for the manipulation of vortex beams and can be used for depth sensing and distance measurement in complex environments.
Bipolare Elektrochemie für die Schule
Authors: Quarthal Dominik , Oetken Marco
Published: April 2024

Sie ist wichtig für Brennstoffzellen und (Redoxfluss‐)Batterien: die bipolare Elektrochemie. Chemische Sensoren lassen sich mit bipolaren Elektroden funktionalisieren, Materialien kabellos elektrolytisch herstellen. Die fachlichen Hintergründe sind Schüler:innen allerdings schwierig zu vermitteln – Versuche mit einer Graphitmine helfen.
Bilanz OMV 2023: Das zweitbeste Ergebnis
Authors: Bulmahn Maren
Published: April 2024

Der Förderer und Verarbeiter von Erdöl und ‐gas OMV mit Hauptsitz in Wien hat im Jahr 2023 weniger umgesetzt als im Jahr 2022, aber mehr als in den Jahren davor. Das liegt an den Rohstoffpreisen und der allgemeinen Konjunktur.
Gründerkolumne: Wie kann ich mir Gründungswissen aneignen?
Authors: Festel Gunter
Published: April 2024

Wie kann ich mir Gründungswissen aneignen?
Die Macht der Geschichten
Authors: Höhne Martha , Börner Armin
Published: April 2024

Weite Teile der Öffentlichkeit sehen die Chemie als bösen Gegenspieler zur belebten Natur und zur sympathiebeladenen Biologie. Um das Ansehen der Chemie aufzumotzen, sollten wir uns wieder mehr auf die Narrative der Chemie besinnen: Geschichten erzählen, die Ursprünge der Natur erklären und vor allem positive Emotionen wecken.
Mit Recht gegen den Missbrauch der Chemie
Authors: Münkner Vivica
Published: April 2024

Neue deutsche Gesetze setzen die Erfahrungen aus 30 Jahren Chemiewaffenübereinkommen um. Sie sollen Proliferationsrisiken senken, also die Gefahr der Weitergabe chemischer Massenvernichtungswaffen, Rechtslücken schließen sowie für klare Zuständigkeiten, Rechte und Pflichten bei Inspektionen sorgen.
Chemie an der Johannes‐Kepler‐Universität
Authors: Brüggemann Oliver , Monkowius Uwe , Klampfl Christian , Hild Sabine
Published: April 2024

Die Technisch‐Naturwissenschaftliche Fakultät (TNF) der Johannes‐Kepler‐Universität (JKU) Linz umfasst fünf Fachbereiche: Mathematik, Physik, Informatik, Mechatronik sowie Chemie und Kunststofftechnik. Der Bereich Chemie ist dabei mit Ausnahme des Instituts für Verfahrenstechnik zur Gänze in den ersten acht Stockwerken des TNF‐Turms untergebracht.
Wer warum aus der Wissenschaft aussteigen will
Authors: Leusmann Eliza
Published: April 2024

Aus der Wissenschaft aussteigen? Der Gedanke ist gar nicht so selten, die Gründe sind vielfältig.
Nachruf: Hans‐Werner Schütt (1937 – 2023)
Authors: Boeck Gisela , Reinhardt Carsten
Published: April 2024

Am 11. Oktober 2023 ist Hans‐Werner Schütt gestorben, eine der prägenden Persönlichkeiten der Chemiegeschichte in Deutschland. Er war ein Historiker der Wissenschaften mehrerer Epochen, zahlreicher Disziplinen und verschiedener geographischer Räume.
Ukraine: Milliardenschäden
Authors: Leusmann Eliza
Published: April 2024

So hat sich die Forschungsinfrastruktur der Ukraine seit Kriegsbeginn verändert.
Estimating stratospheric polar vortex strength using ambient ocean‐generated infrasound and stochastics‐based machine learning
Authors: Vorobeva Ekaterina , Eggen Mari Dahl , Midtfjord Alise Danielle , Benth Fred Espen , Hupe Patrick , Brissaud Quentin , Orsolini Yvan , Näsholm Sven Peter
Published: April 2024

There are sparse opportunities for direct measurement of upper stratospheric winds, yet improving their representation in subseasonal‐to‐seasonal prediction models can have significant benefits. There is solid evidence from previous research that global atmospheric infrasound waves are sensitive to stratospheric dynamics. However, there is a lack of results providing a direct mapping between infrasound recordings and polar‐cap upper stratospheric winds. The global International Monitoring System (IMS), which monitors compliance with the Comprehensive Nuclear‐Test‐Ban Treaty, includes ground‐based stations that can be used to characterize the infrasound soundscape continuously. In this study, multi‐station IMS infrasound data were utilized along with a machine‐learning supported stochastic model, Delay‐SDE‐net, to demonstrate how a near‐real‐time estimate of the polar‐cap averaged zonal wind at 1‐hPa pressure level can be found from infrasound data. The infrasound was filtered to a temporal low‐frequency regime dominated by microbaroms, which are ambient‐noise infrasonic waves continuously radiated into the atmosphere from nonlinear interaction between counter‐propagating ocean surface waves. Delay‐SDE‐net was trained on 5 years (2014–2018) of infrasound data from three stations and the ERA5 reanalysis 1‐hPa polar‐cap averaged zonal wind. Using infrasound in 2019–2020 for validation, we demonstrate a prediction of the polar‐cap averaged zonal wind, with an error standard deviation of around 12 m·s compared with ERA5. These findings highlight the potential of using infrasound data for near‐real‐time measurements of upper stratospheric dynamics. A long‐term goal is to improve high‐top atmospheric model accuracy, which can have significant implications for weather and climate prediction.
Momentary effects of life stressors on mindfulness and emotion regulation difficulties among adolescents exposed to chronic stressors
Authors: Miller Reagan L. , Shomaker Lauren B. , Prince Mark A. , Haddock Shelley , Rzonca Addie , Krause Jill T. , Zimmerman Toni , Lavender Jason M. , Sibinga Erica , Lucas‐Thompson Rachel G.
Published: April 2024

Adolescents faced with chronic stressors (e.g., financial instability, interpersonal violence) are at heightened risk for developing mental health problems, likely due in part to stressors that interfere with effective emotion regulation. Although mindfulness may help to act as a buffer against the deleterious effects of life stressors, a relatively untested assumption is that adolescents can maintain mindfulness during periods of stress. This paper explores this assumption by investigating the real‐time, dynamic relationships among life stressors, mindfulness, and emotion regulation difficulties among adolescents exposed to chronic stressors. Eighty‐one participants who were 10–18 years old (M = 14.33; SD = 2.20; 56% male; 57% Non‐Hispanic White) completed ecological momentary assessments (EMA) three times a day for 7 days and contributed a total of 1186 EMA reports. Multilevel structural equation modelling revealed that the presence (vs. absence) of stressors was associated with lower momentary mindfulness and greater momentary emotion regulation difficulties concurrently and prospectively. Stressors with greater severity were also concurrently, but not prospectively, associated with lower momentary mindfulness and greater momentary emotion regulation difficulties. Findings highlight that exposure to life stressors may degrade momentary mindfulness and emotion regulation. Given that mindfulness and emotion regulation are closely associated with mental health, these results also demonstrate one way that stressors may contribute to health disparities at the micro‐level. Going forward, it will be important to investigate methods of helping adolescents learn to maintain mindfulness and adaptive emotion regulation in the face of stressful events. This study was preregistered (NCT04927286).