bluuebunny/crossref_metadata_2025 huggingface dataset:
Mixed ligand approach for novel hydrazide copper(II) complexes: Structural aspects, theoretical investigation and their biological evaluation
Authors: Richa  , Kiran  , Kushwaha Namrata , Jaiswal Eshika , Kumar Ajay , Kaur Jaspreet , Sharma Shalini , Jain Alok , Sindhu Jayant , Mehta Surinder K. , Saini Vikram , Kataria Ramesh
Published: April 2023

In this paper, two novel Cu(II) complexes [CuL(S‐1‐amino‐2‐propanol)](R1)and [CuL(S‐2‐amino‐1‐propanol)](R2)have been synthesized and characterized using Fourier transform infrared (FT‐IR), thermogravimetric analysis (TGA), high‐resolution mass spectrometry (HR‐MS), scanning electron microscopy (SEM) and single crystal X‐ray diffraction (SCXRD) technique. The single‐crystal XRD analyses show that compoundsR1andR2crystallized in triclinic and monoclinic crystal systems with P‐1 and P21space groups, respectively. The τ5 parameter values of R1 and R2 confirmed distorted square pyramidal geometry around Cu(II) centre. The compoundsR1andR2possess 2D polymeric chains with(4,4)IIIaand2C1topology, respectively. The non‐covalent interactions and electrostatic properties were investigated using Hirshfeld surface analysis and density functional theory (DFT). DFT calculations revealed higher stability ofR1overR2. The presence of strong hyper conjugative interactions in carbon–carbon and carbon–nitrogen bonds has been confirmed by natural bond orbital (NBO) analysis. Time‐dependent (TD)‐DFT calculations were also performed to determine the excited state properties. Based on theoretical calculations, the simulated spectra showed absorption maxima at 506 and 743 nm for both complexes. Antimicrobial assays revealed that R1 is significantly antimicrobial againstPseudomonas aeruginosaat 512 and 256 μg/mL forStaphylococcus aureus, correspondingly. Serum binding studies ofR1confirm the existence of instinctive bonding interactions due to negative values on account of ∆G, ∆S and ∆H obtained from thermodynamics studies. In silico molecular dynamics and docking approaches have been used to validate the experimental findings of anti‐microbial assay and serum binding studies. A high dock score for R1 over R2 revealed the high binding energy of the former with bacterial protein. It was found that the protein‐ligand complex remained stable throughout the dynamic simulation process, and substantial interactions between R1 and bovine serum albumin were observed.
Electrical Control of Exciton Diffusion via Tuning Exciton States
Authors: Chen Yingying , Yao Wendian , Liu Zeyi , Hu Junchao , Li Junze , Li Dehui
Published: April 2023

Stacking of monolayer 2D transition metal dichalcogenides (TMDs) into van der Waals heterostructures can enable the formation of interlayer excitons (IXs) with long lifetimes and permanent out‐of‐plane electric dipoles, allowing them to propagate over long distances. While early studies on TMD heterobilayrs show efficient electrical control of excitonic transport of IXs by creating different energy potentials, the electrically controllable exciton states and associated spatial migration remain elusive. Here, an electrical control of exciton diffusion through the change of exciton states between charged IXs (CIXs) and charged intralayer excitons is reported. The repulsive dipolar interaction of IXs accounts for the growing exciton cloud size and increasing diffusion length in the power‐dependent PL study. More importantly, the electrically tunable spatial exciton distribution is demonstrated by switching the exciton states, which shows a 1.5‐fold change in diffusion length and an order of magnitude increase in lifetime from charged intralayer excitons to CIXs. The electrical control of exciton states and the relevant diffusion dynamics provide another knob to study the interplay between propagation and many‐body interactions for the development of excitonic devices.
Exploring Electro‐Thermal Interconversion in Oxide Superlattices Across Polarization Behavior Transition
Authors: Liu Junfu , Liu Yiqian , Lan Shun , Yang Bingbing , Dou Lvye , Yang Letao , Kong Xi , Nan Ce‐Wen , Lin Yuan‐Hua
Published: April 2023

Due to the great demand for global energy consumption, electro‐thermal energy interconversion has drawn great attention. Ferroelectrics as promising candidates realize energy conversion through pyroelectric and electrocaloric effects, but their efficiency is not sufficiently high. Herein, using phase‐field simulations, it is demonstrated that superlattices with polar topologies tend to have various polarization behaviors, and the antiferroelectric‐ to paraelectric‐like phase transition induces a large polarization change and thus a high pyroelectric response. In KNbO3/KTaO3 superlattices, the pyroelectric energy conversion has a scaled efficiency of 50% and the equivalent ZT of 7.2, and the electrocaloric cooling temperature reaches 40 K. The operation temperature can be tuned by changing the thickness of the superlattice. The results reveal that oxide superlattices are competitive in energy harvesting and conversion, thus creating new application prospects for polar topologies.
Bone Loss in Inflammatory Rheumatic Musculoskeletal Disease Patients Treated With Low‐Dose Glucocorticoids and Prevention by Anti‐Osteoporosis Medications
Authors: Adami Giovanni , Fassio Angelo , Rossini Maurizio , Benini Camilla , Pistillo Francesca , Viapiana Ombretta , Bertelle Davide , Gatti Davide
Published: April 2023

Objective

The negative effects of glucocorticoids on bone depend on dose and treatment duration. However, it is unclear whether a safe dose exists, especially for patients with inflammatory rheumatic musculoskeletal diseases (iRMDs). We undertook this study to determine the effects of glucocorticoid doses on bone health in iRMD patients.

Methods

We conducted a longitudinal cohort study on women with iRMD. Bone mineral density (BMD) and fractures were assessed prospectively and compared to a matched cohort without iRMD. Kaplan‐Meier curves with log rank test were made for iRMD patients (stratified for glucocorticoid use and dose) and the matched cohort. Multivariable Cox regression survival models were also employed to analyze the effect of glucocorticoids on fracture.

Results

A total of 884 women with iRMD and 1,766 controls (matched for age, T score, and 10‐year fracture risk) were included in the study and followed up for up to 6 years. BMD decreased significantly in all patients receiving glucocorticoids who were not receiving anti‐osteoporosis treatment (–4.26% for ≥5 mg/day of prednisone equivalent, P = 0.0011; –4.23% for 2.5–5 mg/day, P = 0.0422; –2.66% for 0–2.5 mg/day, P = 0.0006). Anti‐osteoporosis treatment (largely bisphosphonates) prevented bone loss only in patients receiving <5 mg/day of prednisone equivalent. Fracture incidence was higher in patients with iRMD compared to controls, but only glucocorticoid doses ≥5 mg/day were associated with significantly higher risk of fracture.

Conclusion

Glucocorticoid doses as low as 2.5 mg/day were associated with BMD loss in iRMD patients, but this effect was preventable. BMD loss in patients receiving ≥5 mg/day was not totally prevented by anti‐osteoporosis medications currently used in clinical practice, resulting in higher risk of fracture.

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Arylidene Meldrum's Acid: A Versatile Structural Motif for the Design of Enzyme‐Responsive “Covalent‐Assembly” Fluorescent Probes with Tailor‐Made Properties**
Authors: Renault Kévin , Capello Yoan , Yao Shun , Halila Sami , Romieu Anthony
Published: April 2023

Latent cyclic carbon‐centered nucleophiles (latent C‐nucleophiles) are recently proving their value in the field of reaction‐based fluorescent probes, far beyond their primary utility in organic synthesis. They are typically used to introduce a Michael acceptor moiety acting as a recognition/reaction site for analyte to be detected or as a kinetic promoter of fluorogenic cascade reactions triggered by a reactive species. C‐nucleophiles bearing a further reactive handle offer an additional opportunity for tuning the physicochemical/targeting properties or providing drug‐releasing capabilities to these probes, through the covalent attachment of ad hoc chemical moiety. In order to implement such strategy to fluorogenic/chromogenic enzyme substrates based on the “covalent‐assembly” principle, we have explored the potential of some functionalized derivatives of barbituric acid, piperidine‐2,4‐dione and Meldrum's acid. Our investigations based on the rational design and analytical validations of enzyme‐responsive caged precursors of fluorescent pyronin dyes and 7‐(diethylamino)coumarin‐3‐carboxylic acid, led to identify a versatile candidate suitable for this late‐stage structural optimization approach. This Meldrum's acid derivative enables to either enhance water solubility or achieve the reversible conjugation of a targeting ligand, while promoting in situ formation of fluorophore upon enzymatic activation. This study opens the way to novel multifunctional fluorescence imaging probes and optically modulated small conjugate‐based theranostics.
The new solution bounds of the discrete algebraic Riccati equation and their applications in redundant control inputs systems
Authors: Wang Li , Zhou Lei , Zhang Lu
Published: April 2023

Redundant control inputs play an important part in engineering and are often used in control problems, dynamic control allocation, quadratic performance optimal control, and many uncertain systems. In this paper, by the equivalent form of the discrete algebraic Riccati equation (DARE), we propose new upper and lower bounds of the solution for the equivalent DARE. Compared with some existing work on this topic, the new bounds are more tighter. Next, when increasing the columns of the input matrix, we give the applications of these new upper and lower solution bounds to obtain a sufficient condition for strictly decreasing feedback controller gain. Finally, corresponding numerical examples illustrate the effectiveness of our results.
H∞ filtering for continuous fractional‐order 2D Roesser model: The 0<α≤1 case
Authors: Zhang Jia‐Rui , Lu Jun‐Guo
Published: April 2023

This paper investigates the
filtering for the continuous fractional‐order (FO) two‐dimensional (2D) Roesser model with the FO between 0 and 1. Firstly, a sufficient condition to ensure the stability and bounded realness in the sense of
‐norm for the continuous FO 2D Roesser model is given in the form of linear matrix inequalities (LMIs). Secondly, based on the bounded real lemmas proposed above, the
filtering problem for continuous FO 2D Roesser model is addressed through some congruent transformation and matrix transformation. The results are given in LMI form, and the parameters of the continuous FO 2D filters can be achieved from the LMIs easily. In the end, the effectiveness of the proposed results is verified by two numerical examples.
Student voice: Which supportive parental behaviours first‐generation immigrant students in Australia find beneficial
Authors: Malaeb Fatin T. , Ware Vicki‐Ann
Published: April 2023

There is considerable evidence that parents/guardians play an important role in their children's education. The supportive behaviours of parents have important implications for children's learning. However, most research in this area has focused primarily on the perspectives of school leaders, teachers and parents. One area that thus remains relatively under‐studied is student perspectives on what constitutes beneficial parental supports. This research explores two case studies: one with primary school students, the other with secondary students. Both studies interviewed students from former‐refugee and non‐English speaking backgrounds who had recently settled with their families in Australia. The students were asked to reflect on supportive behaviours of their parents/guardians relating to their education. Findings suggest that despite many barriers, parents demonstrated high levels of support for their children's education. By foregrounding student voice, this study identifies several types of parental behaviours that students find most helpful for effective learning. These include: affirmation, role‐modelling, backup supports, conversations and discussions, encouragement and advice, and decision‐making and problem‐solving. Students’ responses suggest that slightly different sets of behaviours may be required at primary and secondary levels. This study highlights the types of supportive parental behaviours which schools could encourage, to help parents maximise the impacts of their supports for students, so these students are enabled to achieve effective learning and—more broadly—educational and career aspirations.
The in vitro anti‐cancer synergy of neurokinin‐1 receptor antagonist, aprepitant, and 5‐aminolevulinic acid in glioblastoma
Authors: Ebrahimi Safieh , Mirzavi Farshad , Hashemy Seyed Isaac , Khaleghi Ghadiri Maryam , Stummer Walter , Gorji Ali
Published: April 2023

Glioblastoma multiforme (GBM) is the most malignant type of cerebral neoplasm in adults with a poor prognosis. Currently, combination therapy with different anti‐cancer agents is at the forefront of GBM research. Hence, this study aims to evaluate the potential anti‐cancer synergy of a clinically approved neurokinin‐1 receptor antagonist, aprepitant, and 5‐aminolevulinic acid (5‐ALA), a prodrug that elicits fluorescent porphyrins in gliomas on U‐87 human GBM cells. We found that aprepitant and 5‐ALA effectively inhibited GBM cell viability. The combinatorial treatment of these drugs exerted potent synergistic growth inhibitory effects on GBM cells. Moreover, aprepitant and 5‐ALA induced apoptosis and altered the levels of apoptotic genes (up‐regulation of Bax and P53 along with downregulation of Bcl‐2). Furthermore, aprepitant and 5‐ALA increased the accumulation of protoporphyrin IX, a highly pro‐apoptotic and fluorescent photosensitizer. Aprepitant and 5‐ALA significantly inhibited GBM cell migration and reduced matrix metalloproteinases (MMP‐2 and MMP‐9) activities. Importantly, all these effects were more prominent following aprepitant–5‐ALA combination treatment than either drug alone. Collectively, the combination of aprepitant and 5‐ALA leads to considerable synergistic anti‐proliferative, pro‐apoptotic, and anti‐migratory effects on GBM cells and provides a firm basis for further evaluation of this combination as a novel therapeutic approach for GBM.
Virtual reality‐facilitated engineering education: A case study on sustainable systems knowledge
Authors: Han Bing , Weeks Daniel J. , Leite Fernanda
Published: April 2023

Sustainability research findings are imperative to reach a wide audience but are often hard to interpret for the general public because of their complex and interdisciplinary nature. Virtual reality (VR) is an emerging tool in education and research dissemination that can make information more accessible and engaging. This case study leveraged VR, gamification theory, and art design to develop an immersive experience that educates the general public with environmental engineering and sustainability knowledge. Through a series of informative and interactive games, this experience presented scientific findings while providing realism and entertainment throughout. This paper presents step‐by‐step guidelines for transferring engineering knowledge into a pedagogical VR experience, including human–computer interactions, storyboard development, data visualization, and gamification theory implementation. Participants provided positive feedback on the learning experience and stated that the experience sparked a curiosity to learn more about sustainability concepts. Improving opportunities for future development proposed during beta‐testing were also documented to guide future development. This case study contributes to the body of knowledge by validating the feasibility and effectiveness of incorporating VR and gamification theory in engineering education. Practically, the proposed development procedure can be implemented in various engineering education contents and scenarios.
Anti‐Inflammatory Effects of New Naphthyridine from Sponge Aaptos suberitoides in LPS‐Stimulated RAW 264.7 Macrophages via Regulation of MAPK and Nrf2 Signaling Pathways
Authors: Liu Mengshan , Zhang Zhen , He Qianqian , Qi Shizhou , Sun Kunlai , Miao Shuang , Wu Yan , Gong Kaikai
Published: April 2023

Two new naphthyridine compounds, 4‐methoxycarbonyl‐5‐oxo‐1,6‐naphthyridine (1) and 5‐methoxycarbonyl‐4‐oxo‐1,6‐naphthyridine (2) were obtained from the MeOH extracts of sponge Aaptos suberitoides. Their structures were determined by spectroscopic methods, including HR‐ESI‐MS, 1D‐NMR (1H‐NMR, 13C‐NMR), 2D‐NMR (COSY, HSQC, HMBC). The structure of compound 1 was further confirmed via single crystal X‐ray diffraction analysis. Compound 1 was found to reduce NO production in LPS‐induced RAW 264.7 macrophages with IC50 value of 0.15 mM. In addition, it decreased the mRNA expression levels of pro‐inflammatory mediators, such as the tumor necrosis factor‐α (TNF‐α), interleukin‐6 (IL‐6), interleukin‐1β (IL‐1β), inducible nitric oxide synthase (iNOS) and cyclooxygenase‐2 (COX2) in LPS‐induced macrophages. It also decreased the protein expression of iNOS and COX‐2 in LPS‐induced macrophages. Mechanistic studies further revealed that compound 1 inhibited the mitogen‐activated protein kinase (MAPK), and activated the nuclear factor erythroid 2‐related factor 2/heme oxygenase‐1 (Nrf2/HO‐1) signaling pathways in LPS‐induced RAW 264.7 macrophages.
SNAP‐Tag‐Targeted MRI‐Fluorescent Multimodal Probes
Authors: Thankarajan Ebaston , Oz Shimrit , Saady Abed , Kulbitski Kseniya , Kompanets Mykhail O. , Eisen Moris S. , Berlin Shai
Published: April 2023

Magnetic resonance imaging (MRI) is a powerful imaging modality, widely employed in research and clinical settings. However, MRI images suffer from low signals and a lack of target specificity. We aimed to develop a multimodal imaging probe to detect targeted cells by MRI and fluorescence microscopy. We synthesized a trifunctional imaging probe consisting of a SNAP‐tag substrate for irreversible and specific labelling of cells, cyanine dyes for bright fluorescence, and a chelated GdIII molecule for enhancing MRI contrast. Our probes exhibit specific and efficient labelling of genetically defined cells (expressing SNAP‐tag at their membrane), bright fluorescence and MRI signal. Our synthetic approach provides a versatile platform for the production of multimodal imaging probes, particularly for light microscopy and MRI.
Role of comprehensive cytogenomic investigation in successful reproductive outcome of parental small neocentromeric supernumerary ring chromosome: A case report
Authors: Wang Yiming , Lazier Joanna , Myles‐Reid Diane , Noor Abdul , Chitayat David , Greenfeld Elena
Published: April 2023

Small supernumerary marker chromosomes (sSMC) can form small supernumerary ring chromosomes (sSRC). Loss of parentally inherited sSRC containing vital gene content may cause an “unbalanced” karyotype and fetal microdeletion syndromes. Rarely, sSRC with neocentromere can be inherited, leading to a “balanced” karyotype, which can be diagnosed with preimplantation genetic testing.
Alveolar ridge augmentation with 3D‐printed synthetic bone blocks: A clinical case series
Authors: Perez Alexandre , Lazzarotto Benjamin , Marger Laurine , Durual Stéphane
Published: April 2023

This report documents the clinical and histological outcome of 3D‐printed calcium phosphate blocks placed in two‐stage procedures to successfully rehabilitate atrophic alveolar ridges. This approach yielded a functionally favorable result. Histological evaluations were performed after healing periods of 6 months and showed ongoing bone regeneration and sprouting capillaries.
Infection with male and female Trichuris trichiura diagnosed in a non‐endemic area
Authors: Inoue Masaki , Ishikawa Marin , Tanaka Sho , Zhang Xinhan , Okada Hiromi , Miyagishima Takuto
Published: April 2023

Key Clinical Message

Trichuris trichiura parasitizes only humans through fecal‐oral transmission. In non‐endemic areas, the frequency of endoscopic identification has been increasing due to the increasing number of immigrants from endemic countries. To prevent infection, it is important to pay attention to sanitary conditions such as soil and water sources.
Middle‐term natural course after acute pancreatitis associated with pancreas divisum
Authors: Kakiuchi Toshihiko , Yoshiura Masato , Furukawa Rie , Oka Masafumi
Published: April 2023

Key Clinical Message

Invasive treatment might be taken into consideration at the time of initial acute pancreatitis in patients with pancreas divisum who do not complain of abdominal pain to prevent progression to chronic pancreatitis.
Structural Interconversion Based on Intramolecular Boroxine Formation
Authors: Ono Kosuke , Sawanaga Keisuke , Onodera Satoru , Kawai Hidetoshi , Goto Kei
Published: April 2023

A novel structural interconversion unit based on intramolecular boroxine formation has been developed. A macrocyclic triboronic acid consisting of three phenylboronic acid units linked by covalent linkers preferentially underwent intramolecular rather than intermolecular boroxine formation, resulting in a quantitative formation of tricyclic boroxine. This structural transformation was accompanied by changes in the polarity, flexibility, and size of the molecule. Dynamic interconversion between the macrocyclic triboronic acid and the tricyclic boroxine was achieved by simple heating/cooling, whereas no boroxine formation occurred upon heating when three boronic acid units were not connected by linkers. Thermodynamic analysis revealed that the entropic advantage of the intramolecular boroxine formation process resulted in these unique features. The entropically stabilized tricyclic boroxine also shows high stability with respect to hydrolysis.
Vitamin D supplementation increases objective response rate and prolongs progression‐free time in patients with advanced melanoma undergoing anti–PD‐1 therapy
Authors: Galus Łukasz , Michalak Michał , Lorenz Mateusz , Stoińska‐Swiniarek Renata , Tusień Małecka Daria , Galus Agnieszka , Kolenda Tomasz , Leporowska Ewa , Mackiewicz Jacek
Published: April 2023

Background

Vitamin D3 is a prohormone with pleiotropic effects, including modulating the functions of the immune system and may affect the effectiveness of anti–PD‐1 treatment in patients with cancer. According to the literature, the potential mechanism of vitamin D's influence on the effectiveness of therapy is most likely related to the amount and activity of tumor‐infiltrating lymphocytes. There are data showing the effect of vitamin D on cells regulating the activity of CD8 lymphocytes.

Methods

A total of 200 patients with advanced melanoma were included in the study. All patients received anti–PD‐1 immunotherapy (nivolumab or pembrolizumab) as first‐line treatment. Serum vitamin D levels were measured in patients both before and every 12 weeks during treatment. Part of the group had vitamin D measured retrospectively from the preserved serum. The other part of the supplementation group was tested prospectively.

Results

The response rate in the group with low vitamin D levels and not supplemented was 36.2%, whereas in the group with normal baseline levels or a normal level obtained with supplementation was 56.0% (p = .01). Moreover, progression‐free survival in these groups was 5.75 and 11.25 months, respectively (p = .03). In terms of overall survival, there was also a difference in favor of the group with normal vitamin D levels (27 vs. 31.5 months, respectively; p = .39).

Conclusions

In our opinion, maintaining the vitamin D level within the normal range during anti‐PD‐1 immunotherapy in advanced melanoma patients should be a standard procedure allowing the improvement of treatment outcomes.
First person profile: Otis W. Brawley, MD
Authors: Nierengarten Mary Beth
Published: April 2023

This news section offers Cancer readers timely information on events, public policy analysis, topical issues, and personalities. In this issue, Otis W. Brawley, MD, has questioned the status quo of cancer screening assumptions during his career to improve care for patients with cancer through more thorough application of health disparity data. In addition, the US Food and Drug Administration has granted accelerated approval of mosunetuzumab for relapsed, refractory follicular lymphoma in adults, and zanubrutinib is more effective and better tolerated than ibrutinib for chronic lymphocytic leukemia and small lymphocytic lymphoma.
Bismuth‐Based Oxide Photocatalysts for Selective Oxidation Transformations of Organic Compounds
Authors: Boochakiat Sadanan , Inceesungvorn Burapat , Nattestad Andrew , Chen Jun
Published: April 2023

Selective oxidation of organic compounds is incredibly important in the production of a broad range of important chemicals. As such, these reactions attract a great deal of research attention, particularly where conventional synthesis uses harsh and corrosive reaction conditions. To decrease energy consumption, improve yields and mitigate environmental impacts, heterogeneous photocatalysis has emerged as a green and facile method, where its attractiveness is due to promises of providing low toxicity and low‐cost routes, driven by renewable energy. Among various semiconductor photocatalysts, bismuth‐based oxides are particularly promising candidates due to their high chemical and thermal stability, environmental friendliness, and good visible light responses. This paper provides a comprehensive overview of bismuth‐based oxide photocatalysts as employed in selective organic synthesis, including reaction mechanisms, with a particular focus on the reactive oxygen species involved. In addition, detailed information on the bismuth‐based oxide materials used as photocatalysts is covered. This includes crystal and electronic structures, strategies for improving photocatalytic performance, and a comparison of photocatalytic performances for key organic reactions. Furthermore, prospects and challenges of bismuth‐based oxide photocatalysts in selective organic synthesis are discussed, to aid future developments of efficient photocatalytic materials.
Metallic Heterostructures for Plasmon‐Enhanced Electrocatalysis
Authors: Wu Fengxia , Xia Shiyu , Wei Jinping , Gao Wenping , Li Fenghua , Niu Wenxin
Published: April 2023

Metallic heterogeneous nanostructures with plasmonic functionality have attracted great attention in the field of plasmon‐enhanced electrocatalysis, where surface plasmons produced under light excitation could facilitate the overall electrocatalytic performances. Owing to their controllability, multifunctionality, and complexity, heterogeneous metallic nanostructures take advantages of the properties from individual components and synergistic effects from adjacent components, thus may achieve remarkable electrocatalytic performances. This review highlights the state‐of‐the‐art progress of the application of metallic heterostructures for plasmon‐enhanced electrocatalysis. First, a brief introduction to plasmonic heterogeneous nanostructures is demonstrated. Then, fundamental principles of localized surface plasmon resonance and the underlying mechanisms of plasmonic heterogeneous nanostructures in catalysis are discussed. This is followed by a discussion of recent advances of plasmonic heterogeneous nanostructures in plasmon‐enhanced electrocatalysis, in which the enhanced activity, selectivity, and stability are particularly emphasized. Finally, an outlook of remaining challenges and future opportunities for plasmonic heterogeneous nanomaterials and plasmon‐related electrocatalysis is presented.
Chlorocholine Perchlorate is an Organic Ferroelectric with Two‐Step Ladder‐like Dielectric, Second Harmonic Generation Effects, and Ferroelectricity
Authors: Li Duo‐Fu , Wu Yao‐Zhen , He Xiao‐Li , Deng Xiang‐Hong , Chen Jing , Fu Jia , Sui Yan
Published: April 2023

The organic salt chlorocholine perchlorate [ClCH2CH2N(CH3)3⋅ClO4] (CCP) is found to be a molecular ferroelectric with a high theoretical spontaneous polarization (Ps) value up to 17.09 μC cm−2. CCP exhibits two successive order‐disorder phase transition at 332 and 365 K with space groups changing from Cc to Cmc21 and then P63/mmc, accompanied by unusual two‐step ladder‐like dielectric, SHG signal with obvious “on/off” contrasts. These findingings provides a further instance of exploring successive thermal‐stimuli multi‐responsive switching materials applied as switches and sensors.
Can corporate social responsibility enhance corporate competitiveness? An empirical analysis based on listed companies in China's pharmaceutical manufacturing industry
Authors: Huang Qianqian , Wan Anxia , Elahi Ehsan , Peng Benhong , Li Jiao
Published: April 2023

The current study explores the influence mechanism of corporate social responsibility on corporate competitiveness. From 2011 to 2020, a research sample was collected from 108 A‐share pharmaceutical manufacturing companies listed on Shanghai and Shenzhen stock exchanges. Findings depict that the pharmaceutical manufacturing enterprises significantly improved competitiveness by fulfilling social responsibility. Good internal control showed a mediating effect on the influence of corporate social responsibility. Moreover, a perfect equity incentive reflects the moderating effect in the relationship between corporate social responsibility and enterprise competitiveness. The study not only provides an empirical test for the relationship between corporate social responsibility and corporate competitiveness but also analyzes the transmission mechanism between internal control and executive equity incentive variables. The study findings stress monitoring stakeholders and improving the enterprise's internal control system. Moreover, it is necessary to establish a reasonable and effective executive equity incentive mechanism.
Anodic Respiration of Vibrio natriegens in a Bioelectrochemical System
Authors: Gemünde André , Gail Jonas , Holtmann Dirk
Published: April 2023

Vibrio natriegens promises to be a new standard biotechnological working organism since it grows extraordinarily fast, its productivity surpasses E. coli by far, and genomic tools are getting readily available. Recent studies provided insights into its extracellular electron transfer pathway, revealing it to be similar to other well‐known electroactive organisms. Therefore, we aimed to show for the first time that V. natriegens donates electrons from its metabolism to an electrode by direct contact as well as via an artificial redox mediator. Our results demonstrate current densities up to 196 μA cm−2 using an artificial mediator. Via direct electron transfer, 6.6 μA cm−2 were achieved within the first 24 h of cultivation. In the mediated system, mainly formate, acetate, and succinate were produced from glucose. These findings favor V. natriegens over established electroactive organisms due to its superior electron‐transfer capabilities combined with an outstanding metabolism.
Ccdc25 regulates neurogenesis during the brain development
Authors: Wang Chong , Qin Jie , Jiao Jianwei , Ji Fen
Published: April 2023

During brain development, the proliferation and differentiation of neural stem cells (NSCs) are precisely regulated. Defects in embryonic brain development can lead to serious developmental disorders. The cerebral cortex is the most evolved and complicated structure in the mammalian brain. The process of neuronal production, also known as neurogenesis, plays crucial roles in cerebral development and can affect the function of the neocortex. Ccdc25 is a newly discovered molecule. It has been proved that it can play an important role in tumor. However, its function in neural systems is unclear. In this study, we find that in early embryonic development, Ccdc25 can express in the brain. Suppression of the Ccdc25 mediated by shRNAs causes the increase of the Ki67‐ or BrdU‐positive NSCs proliferation and inhibits the premature terminal mitosis and neuronal differentiation. Simultaneously, overexpression of Ccdc2525 inhibits the proliferation and promotes the differentiation of NSCs. Knockdown of Ccdc25 also affects neuronal maturation, the number of branches of neurons cultured in vitro decreased, and the number of axons became shorter. We also examined the expression profile of NSCs when Ccdc25 was knocked down by RNA sequencing technique. We found that Ccdc25 regulates the development of NSCs through Egr1. Egr1 knockdown can result in a phenotype similar to Ccdc25, while the overexpression of Egr1 can also rescue the phenotype of Ccdc25 knockdown. In conclusion, Ccdc25 can affect the proliferation and differentiation of NSCs and the maturation of neuron.
Baseline symptomatology and treatment outcomes of young adults in a virtual versus in‐person partial hospitalization and intensive outpatient program for eating disorders
Authors: Ortiz Anna Marie L. , Cusack Claire E. , Billman Marley G. , Essayli Jamal H.
Published: April 2023

Objective

The COVID‐19 pandemic resulted in a shift from traditional, in‐person treatment to virtual treatment for eating disorders (EDs), with little knowledge about the relative efficacy of virtual formats.

Method

In the current study, we examined baseline symptomatology and treatment outcomes of young adults in our virtual partial hospitalization and intensive outpatient program (PHP/IOP) for EDs, implemented shortly after the onset of the COVID‐19 pandemic. We investigated outcomes on body mass index, ED symptoms, anxiety, ED‐related clinical impairment, and emotion regulation.

Results

We found significant differences in ED symptomatology, ED‐related clinical impairment, and difficulties with emotion regulation at admission between participants in the virtual and in‐person versions of our PHP/IOP. Despite these differences, the results demonstrated that the degree of change from admission to discharge on these measures was comparable for both conditions.

Discussion

These findings suggest that PHPs and IOPs are relatively effective in a virtual format. Providing effective virtual options across various levels of care will improve access to specialized treatment for EDs.

Public Significance

(i) Participants in the virtual program reported less severe symptomatology at baseline, (ii) Participants in the virtual and in‐person programs experienced similar improvements, (iii) Virtual programs may be an effective option for young adults with eating disorders.
Transplantation of hearts from SARS‐CoV‐2 positive donors
Authors: Akhyari Payam , Immohr Moritz Benjamin , Bönner Florian , Reinecke Petra , Lichtenberg Artur , Boeken Udo
Published: April 2023

Incidence of SARS‐CoV‐2 remains high in the population. Consequently, an increasing percentage of reported organ donors are also SARS‐CoV‐2 positive. Although donors may not have experienced COVID‐19‐related symptoms, there is a chance of unnoticed cardiovascular effects associated with this disease. Therefore, SARS‐CoV‐2 donor grafts have been regularly rejected for heart transplantation (HTx) for a long time. We hereby present three consecutive patients receiving grafts from SARS‐CoV‐2 positive donors (defined by the PCR cycle threshold value < 30). All patients underwent HTx after a previous triple mRNA vaccination (mRNA‐BNT162b2 vaccine, Comirnaty) without adverse events and with a regular post‐operative course. Cardiovascular magnetic resonance and endomyocardial biopsies confirmed excellent graft function without signs of rejection or viral myocarditis. After a mean follow‐up of 135 days after HTx, all patients were in good conditions without heart failure, viral myocarditis, or SARS‐CoV‐2 infection. Thus, we conclude that HTx with SARS‐CoV‐2 positive donors seems safe and feasible.
Palladium‐Catalyzed Regioselective peri‐ and ortho‐Halogenation of 1‐Naphthaldehydes: Application to the Synthesis of Polycyclic Natural Product Skeletons
Authors: Amistadi‐Revol Hugo , Garrec Julian , Casaretto Nicolas , Prévost Sébastien
Published: April 2023

Herein, a regioselective bromination or chlorination reaction of 1‐naphthaldehydes is described. Without additive, the palladium‐catalyzed C−H halogenation showed a C8‐regioselectivity, whereas the formation of an aromatic imine intermediate allowed a switch to a C2‐reactivity. Mechanistic studies and DFT calculations were performed to explain the regioselectivity and the synthesized halogenated products were used as key building blocks to access polycyclic natural product skeletons.
Investigation of the regeneration of the passive surface oxide layer of TiAl6V4 alloy printed by WAAM technology using different electrochemical test methods
Authors: Meiszterics Zoltán , Kiss András , Nagy Lívia , Zsebe Tamás , Vasvári Gyula F. , Csonka Dávid C. , Nagy Géza
Published: April 2023

The kinetics of oxide layer formation on surface of Ti6Al4V alloy samples is a very important property especially if their application as medical implants is planned. Damaged protective surface layer usually heals in ambient condition however; during the self‐healing process toxic species can get into the surrounding living tissue. In our experiment the kinetics of the healing process proceeding at 3D printed alloy surface has been studied using electrochemical methods, among them scanning electrochemical microscopy. More than 40 min. time period was found long enough for total healing.
Frequency independent damped outrigger systems for multi‐mode seismic control of super tall buildings with frequency independent negative stiffness enhancement
Authors: Wang Meng , Sun Fei‐Fei , Koetaka Yuji , Chen Lin , Nagarajaiah Satish , Du Xiu‐Li
Published: April 2023

Damped outrigger system is effective for improving energy dissipation for tall buildings. However, conventional damped outrigger (CDO) system with viscous damping has two limitations: (i) its maximum damping ratio cannot be improved when outrigger/column stiffness is inadequate; (ii) different modes achieve their maximum damping ratios at different outrigger damping values, and thus the dampers cannot be optimized to simultaneously reduce vibrations of multiple modes of concern to their minimum. In this paper, a purely frequency‐independent negative stiffness damped outrigger (FI‐NSDO) system is proposed by combining frequency‐independent damper (FID) and negative stiffness device (NSD). The damped outrigger with FID can achieve the maximum damping ratio for all modes as compared to frequency‐dependent damper like viscous damper. As the NSD has the features of assisting and enhancing motion and frequency‐independence, the utilization of NSD will considerably improve the maximum damping ratios when outrigger/column stiffness is inadequate and maintain the frequency‐independent feature of the whole system. Therefore, the FI‐NSDO has the capability of simultaneously increasing the damping ratios of all target modes to their maximum values. Analysis in frequency domain and time domain, demonstrate that the proposed FI‐NSDO performs better in controlling the multi‐mode vibration of seismic responses.
Cruzan after Dobbs: What Remains of the Constitutional Right to Refuse Treatment?
Authors: Dresser Rebecca
Published: April 2023

In 2022, the U.S. Supreme Court removed constitutional protection from the individual's right to end a pregnancy. In Dobbs v. Jackson Women's Health Organization, the Court invalidated previous rulings protecting that right as part of the individual liberty and privacy interests embedded in the U.S. Constitution. Now, many observers are speculating about the fate of other rights founded on those interests. The Dobbs ruling conflicts with the Court's 1990 Cruzan decision restricting the government's power to interfere with personal medical choices. The language and reasoning in Dobbs and Cruzan offer guidance on how the Court might address future cases involving the right to refuse life‐sustaining treatment. The decisions also point to policy strategies for preserving that right.
The non‐specific effects of maternal immunization on birth outcomes: The evidence, mechanisms, and the implications
Authors: Giles Michelle L. , Gunatilaka Ahinsa , Cole Stephen , Kollmann Tobias
Published: April 2023

Preterm birth (PTB) and stillbirth remain two of the most important causes of death, morbidity, and disability in childhood. Despite efforts to reduce PTB and stillbirth worldwide, rates of these adverse outcomes remain persistently elevated, independent of income setting. There is an urgent need for more effective interventions to reduce associated neonatal and early childhood morbidity and mortality. Maternal vaccines are a well‐established strategy used for prevention of pathogen‐specific disease in mothers and infants through transplacental antibody transfer. Beyond these pathogen‐specific benefits, some studies have also identified non‐specific effects (NSEs) of maternal vaccination protecting against several adverse birth outcomes, including PTB and stillbirth. This paper will review the evidence supporting the NSEs of maternal vaccination on birth outcomes, describe the possible underlying mechanisms, outline the research gaps, and summarize the significance from a global health perspective.
Heavy tailed but not Zipf: Firm and establishment size in the United States
Authors: Kondo Illenin O. , Lewis Logan T. , Stella Andrea
Published: April 2023

Heavy tails play an important role in modern macroeconomics and international economics. Previous work often assumes a Pareto distribution for firm size, typically with a shape parameter approaching Zipf's law. This convenient approximation has dramatic consequences for the importance of large firms in the economy. But we show that a lognormal distribution, or better yet, a convolution of a lognormal and a non‐Zipf Pareto distribution, provides a better description of the US economy, using confidential Census Bureau data. These findings hold even far in the upper tail and suggest that heterogeneous firm models should more systematically explore deviations from Zipf's law.
In silico prediction of hERG blockers using machine learning and deep learning approaches
Authors: Chen Yuanting , Yu Xinxin , Li Weihua , Tang Yun , Liu Guixia
Published: April 2023

The human ether‐à‐go‐go‐related gene (hERG) is associated with drug cardiotoxicity. If the hERG channel is blocked, it will lead to prolonged QT interval and cause sudden death in severe cases. Therefore, it is important to evaluate the hERG‐blocking property of compounds in early drug discovery. In this study, a dataset containing 4556 compounds with IC50 values determined by patch clamp techniques on mammalian lineage cells was collected, and hERG blockers and non‐blockers were distinguished according to three single thresholds and two binary thresholds. Four machine learning (ML) algorithms combining four molecular fingerprints and molecular descriptors as well as graph convolutional neural networks (GCNs) were used to construct a series of binary classification models. The results showed that the best models varied for different thresholds. The ML models implemented by support vector machine and random forest performed well based on Morgan fingerprints and molecular descriptors, with AUCs ranging from 0.884 to 0.950. GCN showed superior prediction performance with AUCs above 0.952, which might be related to its direct extraction of molecular features from the original input. Meanwhile, the classification of binary threshold was better than that of single threshold, which could provide us with a more accurate prediction of hERG blockers. At last, the applicability domain for the model was defined, and seven structural alerts that might generate hERG blockage were identified by information gain and substructure frequency analysis. Our work would be beneficial for identifying hERG blockers in chemicals.
Increased Bone Material Strength Index Is Positively Associated With the Risk of Incident Osteoporotic Fractures in Older Swedish Women
Authors: Jaiswal Raju , Zoulakis Michail , Axelsson Kristian F , Darelid Anna , Rudäng Robert , Sundh Daniel , Litsne Henrik , Johansson Lisa , Lorentzon Mattias
Published: April 2023

No previous studies have investigated the association between the bone material strength index (BMSi; an indicator of bone material properties obtained by microindentation) and the risk of incident fracture. The primary purpose of this prospective cohort study was to evaluate if BMSi is associated with incident osteoporotic fracture in older women and, secondarily, with prevalent fractures, anthropometric traits, or measurements of bone mineral density (BMD) by dual-energy X-ray absorptiometry (DXA). In a population-based cohort, 647 women aged 75 to 80 years underwent bone microindentation using the OsteoProbe device. Data on clinical risk factors (CRFs), prevalent fractures, and incident fractures were collected using questionnaires, medical records, and a regional X-ray archive. BMD and vertebral fracture assessment (VFA) were assessed by DXA (Hologic, Discovery A). Associations between BMSi, anthropometrics, BMD, and prevalent fractures were investigated using correlation and linear and logistic regression. Cox proportional hazards and competing risks analysis by Fine and Gray were used to study the association between BMSi and the risk of fracture and mortality. BMSi was weakly associated with age (r = −0.13, p < 0.001) and BMI (r = −0.21, p < 0.001) and with BMD of lumbar spine (β = 0.09, p = 0.02) and total hip (β = 0.08, p = 0.05), but only after adjustments. No significant associations were found between BMSi and prevalent fractures (self-reported and/or VFA identified, n = 332). During a median follow-up time of 6.0 years, 121 major osteoporotic fractures (MOF), 151 any fractures, and 50 deaths occurred. Increasing BMSi (per SD) was associated with increased risk of MOF (hazard ratio [HR] = 1.29, 95% confidence interval [CI] 1.07–1.56), any fracture (HR = 1.29, 95% CI 1.09–1.53), and mortality (HR = 1.44, 95% CI 1.07–1.93). The risk of fracture did not materially change with adjustment for confounders, CRFs, femoral neck BMD, or when considering the competing risk of death. In conclusion, unexpectedly increasing BMSi was associated with greater fracture risk. The clinical relevance and potential mechanisms of this finding require further study. © 2023 The Authors. Journal of Bone and Mineral Research published by Wiley Periodicals LLC on behalf of American Society for Bone and Mineral Research (ASBMR).
Revisiting the benefits of isovolemic hemodilution red cell exchange for sickle cell disease
Authors: Reddy Manasa S. , Alkashash Ahmad , Nord Andrew , Tetrick Anne
Published: April 2023

Background

Isovolemic hemodilution red cell exchange (IHD‐RCE) is a modified form of the standard red cell exchange (STD‐RCE), intended to reduce red cell requirements in patients with sickle cell disease (SCD). This retrospective crossover analysis of nine patients aims to add to the limited existing literature on IHD‐RCE and address the equipoise regarding whether the benefits of (a) decreased RBC usage per exchange and (b) increased interprocedure interval (via lower fraction of cells remaining, FCR) can be observed at the same time, in the same patient.

Methods

At a single center, we identified 37 patients with SCD undergoing chronic RCE between 2014 and 2021. We excluded those patients who did not have at least six consecutive procedures of each type (STD‐ and IHD‐RCE), arriving at nine patients for analysis.

Results

When using greater decreases in hematocrit than previously published, we did not find that IHD‐RCE resulted in any clinically apparent adverse events. We did find greater decreases in diastolic blood pressure and increases in heart rate in some patients, as compared to STD‐RCE. After correcting for total blood volume, seven of the nine patients had significantly reduced red cell requirements with each IHD‐RCE. Because the pattern of achieving a lower FCR than programmed was seen to an equal extent with both IHD‐RCE and STD‐RCE, none of the nine patients showed any statistical difference in actual FCR between procedure types.

Discussion

Our data do not support the observation of both IHD‐RCE benefits, decreased red cell usage per exchange and lower FCR/increased interprocedure interval, simultaneously.