bluuebunny/crossref_metadata_2025 huggingface dataset:
Computational Insights for Interactions between nsP2 and nsP3 of CHIKV and Hormones through DFT Computations and Molecular Dynamics Simulations
Authors: Pratap SinghRaman Anirudh , Kumar Durgesh , Kumari Kamlesh , Jain Pallavi , Bahadur Indra , Abedigamba Oyirwoth P. , Preetam Amreeta , Singh Prashant
Published: August 2024

The non‐structural protein (nsP2 & nsP3) of the Chikungunya virus (CHIKV) is responsible for the transmission of viral infection. The main role of non‐structural proteins are involved in the transcription process at an early stage of the infection. In this work, authors have studied the impact of nsP2 and nsP3 of CHIKV on hormones present in the human body using a computational approach. The ten hormones of chemical properties such as 4‐Androsterone‐2,17‐dione, aldosterone, androsterone, corticosterone, cortisol, cortisone, estradiol, estrone, progesterone and testosterone were taken as a potency. From the molecular docking, the binding energy of the complexes is estimated, and cortisone was found to be the highest negative binding energy (−6.57 kcal/mol) with the nsP2 and corticosterone with the nsP3 (−6.47 kcal/mol). This is based on the interactions between hormones and nsP2/nsP3, which are types of noncovalent intermolecular interactions categorized into three types: electrostatic interactions, van der Waals (vdW) interactions, and hydrogen‐bonding (H‐bonding) interactions. To validate the docking results, additional molecular dynamics simulations and MM‐GBSA methods were performed. The change in enthalpy, entropy, and free energy were calculated using MM‐GBSA methods. The nsP2 and nsP3 of CHIKV interact strongly with the cortisone and corticosterone with free energy changes of −20.55 & −36.08 kcal/mol, respectively. Methods: The crystal structures of 3TKR and 3GPO proteins of nsP2 and nsP3 were extracted from the RCSB Protein Data Bank. Initially, unnecessary atoms like extra cations or anions and missing explicit hydrogen atoms were removed and added from the native domain of nsP2 and nsP3. The alignment of coordinated in the native domain was performed using Chimera and Notepad++ tools. The molecular docking of protein and ligand was performed usingAutoDock tool; it is essential for the prediction of the orientation of the ligand into the cavity of the target protein based on binding affinity. Based on thermodynamic parameters, MD Simulations were employed to calculate the change in binding free energies of various complexes followed by a change in enthalpy and entropy with time. According to MD production, the CPPTAJ and PTRAJ programs were used to analyse the trajectories, such as dynamic stability (RMSD), residual fluctuation (RMSF), compatibility, and hydrogen bonds of the newly formed complexes. After that, the Density Functional Theory (DFT) were used to calculate the electronic properties of selected molecules by Gaussian 16 on applying the B3LYP method with the 6‐311G (d, p) basis set.
Beautoide A, an Anti‐Osteoclastogenic Sterol from Beauveria sp. NBUF147 Associated with an Irciniidae Sponge from the Marine Mesophotic Zone
Authors: Ran Guang‐Jun , Wang Ping , Wang Hong‐Kun , Wei Ting‐Ting , Liu Yu‐Ying , Jin Hai‐Xiao , Wang Ting‐Ting , He Shan
Published: August 2024

Mesophotic coral ecosystems (MCEs), located at depths ranging from 30–150 m, host some of the most diverse yet least explored marine bioresources, particularly significant for the discovery of new bioactive molecules. The fungus Beauveria sp. NBUF147, associated with an Irciniidae sponge from the mesophotic zone at a depth of 82 m, underwent chemical investigation that led to the identification of one new sterol, beautoide A (1), and one reported sterol, 3β,5α,9α‐trihydroxy‐(22E,24R)‐ergosta‐7,22‐dien‐6‐one (2). Their structures were determined from analysis of spectroscopic data and X‐ray crystallography. Evaluation of biological activity in prednisolone‐induced osteoporotic zebrafish showed that 1 was anti‐osteoclastogenic in vivo at 3.0 μM.
Tyrosine kinase inhibitors in the treatment of leptomeningeal carcinomatosis
Authors: Ni Hanyu , Wang Zilan , Tang Yanbing , Lu Jiaye , Zhu Zixiang , Qiu Youjia , Chen Zhouqing , Wang Zhong
Published: August 2024

Leptomeningeal carcinomatosis (LMC) is a devastating complication of advanced cancers, such as lung cancer and breast cancer, which is usually indicative of a poor prognosis. The current treatments for LMC include palliative care, with others aiming to prolong survival and relieve neurological symptoms. Traditional treatments for LMC include radiotherapy, systemic chemotherapy, and intrathecal injection. Furthermore, the application of molecularly targeted agents, such as antiepidermal growth factor receptor (anti‐EGFR), antihuman epidermal growth factor receptor 2 (anti‐HER2), and anti‐PD‐1 monoclonal antibody, have prolonged the survival of LMC patients. Targeted therapy with tyrosine kinase inhibitors has also been proven to be an effective treatment. Tyrosine kinases can be overactive or expressed at high levels in some cancer cells; therefore, the use of tyrosine kinase inhibitors may prevent the activation of tumor‐related pathways, preventing cancer cell growth. The EGFR family are cell surface receptors directly related to tumor occurrence with tyrosine kinase activity; it is the most widely used target for tyrosine kinase inhibitors in the treatment of LMC. In this review, we introduced the clinical manifestation and diagnostic criteria of LMC, clarified the treatment mechanism of tyrosine kinase inhibitors for LMC with mutations in EGFR, HER2, or anaplastic lymphoma kinase, reviewed the current application of various generation tyrosine kinase inhibitors in patients with LMC, and discussed new clinical trials and the future directions of tyrosine kinase inhibitor therapy.
Structural Deformations in Cucurbit[n]urils: Analysis, Host‐Guest Dependence, and Automated Ellipticity Measurements Using ElliptiCB[n]
Authors: Garcia Arman C. , Shavlik Michael , Harms Michael J. , Pluth Michael D.
Published: August 2024

Cucurbit[n]urils (CB[n]s) are cyclic macrocycles with rich host‐guest chemistry. In many cases, guest binding in CB[n]s results in host structural deformations. Unfortunately, measuring such deformations remains a major challenge, with only a handful of manual estimations reported in the literature. To address this challenge, we have developed the public program ElliptiCB[n], which is available on GitHub, that provides a robust and automated method for measuring the elliptical deformations in CB[n] hosts. We outline the development and validation of this approach, apply ElliptiCB[n] to measure the ellipticity of the 1113 available CB[n] structures from the Cambridge Structural Database (CSD), and directly investigate the structural deformations of CB[5], CB[6], CB[7], CB[8], and CB[10] hosts. We also report the general landscape of accessible CB[n] elliptical deformations and compare ellipticity distributions across CB[n] hosts and host‐guest complexes. We found that in almost all cases guest binding significantly impacts the distribution of host ellipticity distributions and that these distributions are dissimilar across host‐guest complexes of differently sized CB[n]s. We anticipate that this work will provide a useful approach for understanding of the flexibility of CB[n] hosts and will also enable future measurement and standardization of ellipticity measurements of CB[n]s.
Dual, Photo‐Responsive and Redox‐Active Supramolecular Foldamers
Authors: Davis Alexander R. , Dismorr Jack O. , Male Louise , Tucker James H. R. , Pike Sarah J.
Published: August 2024

We report on dual, light‐responsive and redox‐active foldamers that demonstrate reversible and robust stimuli‐induced behaviour. Herein, UV/Vis, 1H NMR and circular dichroism (CD) spectroscopy and cyclic voltammetry have been used to establish the reversibility and highly robust nature of the light‐ and redox‐driven behaviour of these new foldamers with minimal levels of fatigue observed even upon multiple cyclic treatments with irradiative/non‐irradiative and oxidative/reductive conditions. This proof‐of‐concept work paves the way towards the creation of novel stimuli‐responsive foldamers of increasing sophistication capable of demonstrating reversible and robust responses to multiple distinct stimuli.
Formate‐Mediated Synthesis of β‐Hydroxysulfides from Olefins and Thiosulfonates via EDA Complex Strategy under Visible Light Irradiation in Air
Authors: Shen Qing , Peng Xiaoyan , Sui Jiahong , Peng Min , Liu Xiangwei , Jiang Hezhong , Tan Rui , Zhou Min , Li Jiahong
Published: August 2024

Comprehensive Summary

A visible‐light‐induced and efficient one‐pot synthesis of β‐hydroxysulfides from olefins, thiosulfonates and HCOOCs using an EDA complex strategy under air atmosphere at room temperature has been disclosed. A plausible radical involved mechanism is proposed. During the reaction process, formates play a crucial role: first, as donors in the EDA complex; second, as providers of the hydrogen source; and third, by generating CO2•– to reduce peroxide intermediates, leading to the formation of β‐hydroxysulfides. In contrast to the previously reported thiol‐oxygen co‐oxidation reactions, this simple and sustainable approach features mild reaction conditions, operational simplicity, odorless and excellent functional group tolerance.
Non‐Covalent Immobilization of Chiral Rhodium Catalysts on Carbon Nanotubes for Asymmetric Hydrogenation
Authors: Arora Zinnia , Rais Meriem , Pârvulescu Vasile I. , Philippot Karine , Durand Jérôme , Gouygou Maryse
Published: August 2024

Supported chiral catalysts were prepared by ionic anchoring of two cationic rhodium complexes (A and B) onto functionalized carbon nanotubes (CNTs). The immobilization of the Rh complexes was done by applying two ionic anchoring strategies: i) electrostatic interaction with the negatively charged surface of carboxylate‐functionalized CNTs (CNT‐COO−); ii) electrostatic interaction through a heteropoly acid (HPA) spacer previously grafted at the CNTs surface (CNT‐HPA). The characterization of the obtained CNT‐COO−@complex A, CNT‐COO−@complex B, CNT‐HPA@complex A, and CNT‐HPA@complex B materials by ICP, TEM and XPS showed the successful anchoring of the Rh complexes onto the supports. The HPA spacer was found to increase the catalyst's stability and to limit the effect of the CNT surface on the catalytic performances of the immobilized Rh complexes. CNT‐HPA@complexes performed the hydrogenation of dimethyl itaconate into methyl succinate with high conversions (83–100 %) and good enantioselectivities (58–63 %). The recyclability tests showed the catalysts were less active but still enantioselective after recycling.
Theoretical Description of Hydride‐hydride Interactions in Selected Hydrogen Storage Materials
Authors: Ptaszek Aleksandra L. , Sagan Filip , Filas Radosław , Kubisiak Piotr , Mitoraj Mariusz P.
Published: August 2024

In recent years there has been growing interest in the use of metal hydrides as hydrogen rich sources. The high content of hydride‐hydride contacts Hδ−⋅⋅⋅δ−H in these materials appears to be relevant for hydrogen formation. At present time there is no consensus whether these contacts are attractive or repulsive. Accordingly, the main goal of this article is to shed light on physical factors which constitute homopolar hydride‐hydride interactions Hδ−⋅⋅⋅δ−H in selected transition metal complexes i. e. HCoL4, L=CO,PPh3,PH3. In order to achieve this goal, the charge and energy decomposition ETS‐NOCV approach along with the Interacting Quantum Atoms (IQA) and reduced density gradient (NCI) are applied for the bonded adducts L4CoH⋅⋅⋅HCoL4. Based on DFT and correlated methods it has been shown, contrary to classical interpretations, that hydride‐hydride interactions might be attractive and even far stronger than classical hydrogen bonds. The stability of the adducts is increased by phosphine ligand installation: overall Hδ−⋅⋅⋅δ−H bonding energy changes in the order: CO≪PPh3~PH3. It has been revealed that depending on monomer's conformations Hδ−⋅⋅⋅δ−H bonds are dominated by charge delocalization or London dispersion forces and the electrostatic term is also relevant. The side carbonyl ligands additionally stabilize the Hδ−⋅⋅⋅δ−H bonded structures through covalent charge delocalizations and Coulombic contributors. Furthermore, the sterically crowded systems containing bulky phosphine ligands are supported by π⋅⋅⋅π stacking, C−H⋅⋅⋅π and C−H⋅⋅⋅H−Co. It is finally determined by IQA energy decomposition, that diatomic hydride‐hydride interaction CoH⋅⋅⋅HCo is chameleon‐like, namely, it is attractive in CO4CoH⋅⋅⋅HCoCO4 and (PH3)4CoH⋅⋅⋅HCo(PH3)4, whereas the repulsion is unveiled in (CO)3(PPh3)CoH⋅⋅⋅HCo(CO)3(PPh3) where the monomers are of Cs symmetry.
Dye‐Containing Polymers with π‐Extened Diketopyrropyrrole Derivatives for Semi‐Transparent Organic Photovoltaics
Authors: Nishiyama Tomoki , Yamaoka Taiki , Nakajima Kento , Weng Weichun , Nakano Sota , Yamamoto Taro , Tanaka Senku , Wakabayashi Tomonari , Suzuki Hal , Kitoh‐Nishioka Hirotaka , Okubo Takashi
Published: August 2024

Dye‐containing polymers P1 (PEDPP‐OT‐BDT) and P2 (PEDPP‐OT‐BDTT) including a π‐extended diketopyropyrrole (DPP) derivative and electron‐rich thiophene fused ring units (4,8‐bis((2‐ethylhexyl)oxy)benzo[1,2‐b:4,5‐b′]dithiophene for P1 and 4,8‐bis(5‐(2‐ethylhexyl)thiophen‐2‐yl)benzo[1,2‐b:4,5‐b′]dithiophene for P2) were synthesized as narrow band gap dyes. A π‐extended DPP (EDPP‐OT‐BrPh), fragment of the polymers P1 and P2, was obtained by extending the π‐conjugation of DPP using Ru(III)‐catalyzed C−H and N−H activation reported by Gońka et al. in 2019, exhibiting a high quantum yield (ϕem=0.84) and small HOMO‐LUMO gap (Eg=1.69 eV) due to the spatial overlap of the HOMO and LUMO orbitals. The solubility of the π‐extended DPP was improved by introducing four 2‐octylthophene side chains around the periphery of the planer dye moiety, while maintaining the high planarity of the dye molecule, which is essential to the function of optoelectronic devices. As a result, P1 and P2, polymerized with the π‐extended DPP and BDT derivatives, exhibit carrier mobility of approximately 10−5 cm2/Vs in organic field‐effect transistors (OFETs). In bulk heterojunction (BHJ) solar cells with [6,6]‐phenyl‐C61‐butyric acid methyl ester (PCBM), they demonstrate a power conversion efficiency (PCE) of 1.0 % with an average transmittance (AVTs) of around 60 %.
Impact of corporate social responsibility on consumer retention and satisfaction with moderation of consumer social responsibility drawing on stakeholder theory analysis
Authors: Jiang He , Fang Wei
Published: August 2024

How corporate social responsibility (CSR) and consumer social responsibility (CnSR) can perform a preeminent role in satisfying and retaining consumers is an unprecedented research gap that needs to be uncovered in the existing literature. This study explores the multidimensional associations of CSR on consumers' satisfaction (CS) and consumer retention (CR) along with moderation of CnSR from a developing economy using rigorous empirical analysis within small and medium‐sized enterprises (SMEs) in China. The findings affirmed the positive nexus of CSR on CS and CR. The results asserted the significant moderating impact of CnSR among CSR, CR, and CS. These results yield insights for the management to reshape strategies by understanding social responsibility perspectives on both sides to align corporate and consumers' interests. Additionally, how the inclusion of CSR practices can bridge the gap between corporations and consumers is another unique contribution of this study. Finally, the paper confers interesting and valuable implications along with lines for future work.
Electrochemical Kinetics of LiFePO4 Cathode Material in Non‐flammable Inorganic Liquid Electrolyte
Authors: Ramar Vishwanathan , Pszolla Christian , Weinberger Manuel , Borck Markus , Zinck Laurent
Published: August 2024

We unveil the fundamental insights of electrochemical kinetics of LFP cathode material and the passivation layer formation in the SO2‐based non‐flammable inorganic liquid electrolyte (IE). The influence of temperature and electrochemical potential cutoff in the electrochemical activity of LFP cathode and IE is disclosed. Furthermore, the materials compatibility, structural and chemical stability of LFP in IE is demonstrated using very slow galvanostatic cycling in combination with LiFePO4||Li0.1FePO4 symmetric cells. The lithium storage performance of LFP half‐cell using inorganic electrolyte is presented with the optimum voltage window. LFP half‐cells exhibit discharge capacities of 147, 111, and 75 mAh/g at 1, 4, 8 C rates, respectively, with coulombic efficiencies of ~99.98 %. The electrochemical behavior and mechanism of LFP||Graphite cell in IE is investigated while concurrently tracking the electrochemical potentials of LFP and Graphite half‐cell.
Hybrid Red Deer and Improved Fireworks Optimization Algorithm–based Clustering Protocol for improving network longevity with energy stability in WSNs
Authors: Anupkant Sabnekar , Yugandhar Garapati
Published: August 2024

Clustering of nodes in wireless sensor networks (WSNs) plays a dominant role in gathering environmental data from the specific area of monitoring over which they are deployed for achieving a reactive decision‐making process. The design and development of an energy‐efficient clustering strategy with a potential cluster head (CH) selection process is a herculean task. This development of the CH selection scheme is referred as a non‐deterministic polynomial (NP) hard problem as it needs to optimize different parameters that influence the selection of potential sensor nodes as CH. It needs to concentrate on the process of enhancing network lifespan with energy efficiency by selecting optimal routing path during data dissemination activity. In this paper, a Hybrid Red Deer and Fireworks Optimization Algorithm (HIRDIFOA)–based energy efficient clustering technique is proposed for extending network lifespan with maximized stability in the network energy. This proposed HRDFOA integrated the exploration capability of Improved Red Deer Optimization (IRDOA) with the maximized exploitation tendency of the Modified Firework Optimization Algorithm (MFWOA) during the CH selection process. It facilitated the CH selection by evaluating the fitness functions that integrate the factors of residual energy (RE), distance between sensor and CH, distance between CH and sink, and radius of communication. It significantly adopted MWFOA for achieving sink node mobility such that data can be reliably routed from CH to sink. The outcomes of HRDFOA confirm better throughput of 19.21% with reduced energy consumption of 17.42% and reduced end‐to‐end delay of 18.52% in contrast to the competitive CH selection schemes used for investigation.
A Retrospective Cytomorphologic Analysis of Salivary Gland Fine Needle Aspirates Classified as Salivary Gland Neoplasm of Uncertain Malignant Potential: A 6‐year Institutional Experience
Authors: Agarwal Shweta
Published: August 2024

Background

The Milan System for Reporting Salivary Gland Cytopathology is an effective reporting system for salivary gland fine needle aspirations with well‐established risks of malignancy. Salivary gland neoplasm of uncertain malignant potential (SUMP) comprises a heterogenous group of lesions which have features that can be recognized as at least neoplastic but preclude further classification into benign or malignant. In this study, we reviewed the cytomorphologic features of salivary gland fine needle aspirations diagnosed as SUMP at our institution (over the past 6 years) and correlated those with the final diagnosis on surgical follow up.

Design

A retrospective search was performed to identify cases classified as SUMP at our institution from January 2018 to February 2024. Cytology slides were reviewed, and cases were subclassified based on key cytomorphologic features into the following categories: (1) basaloid, (2) oncocytic, (3) with clear cell features and (4) mixed features (myoepithelial/oncocytoid/squamoid features). Histologic diagnosis was recorded if available.

Results

A total of 36 cases of SUMP were identified; 31/36 had surgical follow up; final diagnosis included 22 benign lesions (2 non‐neoplastic and 20 benign neoplasms), and nine malignant lesions. The overall risk of neoplasm and risk of malignancy were 93.5% and 29% respectively, with the oncocytic sub‐category recording the highest ROM (42.8%). Mucoepidermoid carcinoma was the most common malignant diagnosis and pleomorphic adenoma the most common benign diagnoses.

Conclusions

Our study supports the subclassification of SUMP lesions based on key cytomorphologic features, thereby aiding in refining this ambiguous entity and providing a precise risk assessment.
Bimodal spore release heights in the water column enhance local retention and population connectivity of bull kelp, Nereocystis luetkeana
Authors: Burnett Nicholas P. , Ricart Aurora M. , Winquist Tallulah , Saley Alisha M. , Edwards Matthew S. , Hughes Brent , Hodin Jason , Baskett Marissa L. , Gaylord Brian
Published: August 2024

Dispersal of reproductive propagules determines recruitment patterns and connectivity among populations and can influence how populations respond to major disturbance events. Dispersal distributions can depend on propagule release strategies. For instance, the bull kelp, Nereocystis luetkeana, can release propagules (spores) from two heights in the water column (“bimodal release”): at the water surface, directly from the reproductive tissues (sori) on the kelp's blades, and near the seafloor after the sori abscise and sink through the water column. N. luetkeana is a foundation species that occurs from central California to Alaska and is experiencing unprecedented levels of population declines near its southern range limit. We know little of the kelp's dispersal distributions, which could influence population recovery and restoration. Here, we quantify how bimodal spore release heights affect dispersal outcomes based on a numerical model specifically designed for N. luetkeana. The model incorporates oceanographic conditions typical of the species' coastal range and kelp biological traits. With bimodal release heights, 34% of spores are predicted to settle within 10 m of the parental alga and 60% are predicted to disperse beyond 100 m. As an annual species, bimodal release heights can facilitate the local regeneration of adults within a source kelp forest while also supporting connectivity among multiple forests within broader bull kelp metapopulations. To leverage this pattern of bimodal spore dispersal in bull kelp restoration management, directing resources toward strategically located focal populations that can seed other ones could amplify the scale of recovery.
Isothiocyanates attenuate heparin‐induced proliferation of colon cancer cells in vitro
Authors: Zhang Yizi , Saha Karabi , Nandani Raj , Yuan Jiahui , Dey Moul , Gu Zhengrong
Published: August 2024

Isothiocyanates (ITCs), prevalent in cruciferous vegetables, are known for their anticarcinogenic properties. Prior research has indicated that heparin can stimulate the growth of colon cancer cells. However, the implications of ITCs in the diet of cancer patients receiving heparin‐based therapies have yet to be fully understood. This exploratory in vitro study examines the proliferative effects of low‐molecular‐weight heparin (LMWH) on human colon cancer cells and assesses the antiproliferative potential of four ITC compounds, exploring possible epidermal growth factor family of receptor tyrosine kinases (Erb‐B) related mechanisms. We evaluated cell viability in HCT‐116 and HT‐29 cell lines following treatment with ITCs alone or combined with LMWH (20 μg/mL) at various concentrations (1–100 μM). Clonogenic and wound‐healing assays were performed after 24 h of treatment with 5 μM ITCs. Additionally, messenger RNA (mRNA) and protein expression of Erb‐B family genes was measured using quantitative polymerase chain reaction (qPCR) and Western blotting. Statistical analysis was conducted using analysis of variance (ANOVA) with Dunnett's post hoc test. Results indicated that the half‐maximal inhibitory concentration (IC50) values for Phenylethyl isothiocyanate (PEITC), Benzyl isothiocyanate (BITC), and Sulforaphane (SFN) were lower than those of Allyl isothiocyanate (AITC) in LMWH‐stimulated HCT‐116 (20.77, 19.10, and 44.05 μM, respectively) and HT‐29 (74.94, 26.77, and 43.49 μM, respectively). PEITC and SFN significantly reduced ErbB1 (epidermal growth factor receptor (EGFR)) and ErbB4 (receptor tyrosine‐protein kinase erbB‐4) expression, while BITC decreased ErbB2 (receptor tyrosine‐protein kinase erbB‐2) and transforming growth factor beta (TGF‐β) expression in HCT‐116 cells (all, p < .05). PEITC, BITC, and SFN also increased proapoptotic Bax expression and decreased the antiapoptotic B‐cell lymphoma 2 (Bcl‐2) expression (all, p < .05). These findings suggest that specific ITCs may mitigate cancer cell proliferation induced by LMWH in cancer therapies, highlighting their potential therapeutic efficacy.
Investor Sentiment, Unexpected Inflation, and Bitcoin Basis Risk
Authors: Conlon Thomas , Corbet Shaen , Oxley Les
Published: August 2024

The introduction of regulated CME futures contracts on Bitcoin in 2017 raised an expectation that cryptocurrencies would become part of mainstream financial markets. This also heightened links between traditional markets and Bitcoin, implying that the cryptocurrency would be subject to systematic spillovers. This paper uses high‐frequency data to examine whether Bitcoin basis risk is linked to investor sentiment from established financial markets. Our findings indicate that extreme investor sentiment, as reflected by the tail risk in various volatility indices, including the VIX, consistently correlates with a negative Bitcoin basis, where Bitcoin futures prices are lower than spot prices. Fluctuations significantly influence this relationship in the trading volume of Bitcoin futures and are more pronounced during periods of substantial unexpected inflation and deflation. These results underline the complex dynamics between market sentiment and cryptocurrency pricing, offering insights with substantial implications for investors and policymakers.
Theranostic scope of monometallic selenium and titanium dioxide nanoparticles in biomedicine: A review
Authors: Nagarajan Shwetha B. , Jayaraman Anuradha , Ramakrishnan Sanjeevi
Published: August 2024

The nanoparticles (NPs) of metals and metal oxides constitute significant components of technology in terms of monometallic NPs (MNPs). Over the last decade, the most fascinating and in‐depth uses of NPs have been found in the biomedical field, which has demonstrated the therapeutic potential of these particles. Significant strides have been made in the application of nanotechnology across various industries, including biomedical sciences. In biomedicine, two of the most important applications of NPs are in the diagnosis and treatment of disease. Given their ability to deliver specific drugs, these next‐generation NPs provide safe and effective pharmacotherapies for a wide range of disorders. Selenium nanoparticles (SeNPs) and titanium dioxide (TiO2) NPs offer potential treatments for various applications, including hair care and cancer treatment. SeNPs help with abiotic stress, plant disease, and growth, while TiO2 NPs enhance bio‐imaging and drug delivery. This comprehensive review focuses on MNPs like Se (metal‐based) and TiO2 (metal‐oxide based). It covers their synthesis methods, nanoscale physicochemical properties, and the definition of specific industrial applications in various fields of applied nanotechnology, including biomedicine.
Job satisfaction and performance among employed Bangladeshi women working from home during COVID‐19 pandemic: A cross‐sectional study
Authors: Jannat Hurul , Saif‐Ur‐Rahman KM , Noor Irfan Nowroze , Begum Afroza
Published: August 2024

Background and Aims

The emergence of the COVID‐19 pandemic led to the adoption of telework modalities by individuals in Bangladesh. The study's objective was to determine the job satisfaction and performance level of employed Bangladeshi women working from home during the COVID‐19 pandemic lockdown.

Methods

A cross‐sectional study was conducted among women employees of different professions in Dhaka city. The Minnesota Satisfaction Questionnaire (MSQ) was used to measure job satisfaction. Work arrangement satisfaction and self‐reported performance were measured by two separate subscales which contain five items each. Responses from 118 employed women were analyzed using descriptive statistics, Pearson Chi‐square tests, Independent t‐tests, one‐way analysis of variance, and Pearson Correlation tests through the Statistical Package for Social Science (SPSS), version 26.

Results

The findings indicated that 51.7% of women reported a high degree of satisfaction on the MSQ scale; 61.9% expressed high satisfaction with their work arrangements at home and 66.9% reported a high level of performance. Job satisfaction was significantly associated with the number of children and the number of family members. A positive association was found between job satisfaction and total working experience and work arrangements. Work performance was strongly associated with higher educational qualifications. A statistically significant association between job satisfaction and performance was revealed.

Conclusions

The findings from this study indicated a high degree of job satisfaction and a high level of performance found in women employees who worked from home during the COVID‐19 pandemic. These findings encourage organizations to foster more policies for telework alternatives for employed women to help them keep a balance between work responsibilities and household chores.
Respiratory system compliance during anesthesia induction and postoperative mechanical ventilation needs: An observational study
Authors: Yamazaki Yukiko , Matsuki Yuka , Hosokawa Koji , Tanaka Katsuya , Kawamura Yuko , Tanaka Aiko , Shigemi Kenji
Published: August 2024

Background and Aims

Respiratory system compliance (Crs) is a simple indicator of lung flexibility. However, it remains unclear whether a low Crs during anesthesia induction (iCrs) is associated with an increased risk of postoperative mechanical ventilation.

Methods

This retrospective observational study was conducted using a local database. All mechanically ventilated postoperative ICU patients were included in this study. The duration of postoperative mechanical ventilation, length of hospital stay, and in‐hospital mortality were compared between the low iCrs group (<25% of distribution) and the normal iCrs group.

Results

A total of 315 patients were classified into the low iCrs (<39 mL/cmH2O) group (n = 78) or the normal iCrs group (n = 237). Low iCrs was associated with a higher chance of mechanical ventilation in 28 days (log‐rank test, p < 0.001). The duration of hospital stay was similar. Multivariate analysis showed that in‐hospital mortality was higher in the low iCrs group than in the normal iCrs group (adjusted odds ratio, 6.04 [1.13, 32.26]; p = 0.04).

Conclusion

Low iCrs was associated with an increased risk of requiring postoperative mechanical ventilation. An additional result of poor survival related to low iCrs may require further study.
The implications of the TNFα‐TNFR2 immune checkpoint signaling pathway in cancer treatment: From immunoregulation to angiogenesis
Authors: Emamalipour Melissa , Shamdani Sara , Mansoori Behzad , Uzan Georges , Naserian Sina
Published: August 2024

Despite the tremendous advances that have been made in biomedical research, cancer remains one of the leading causes of death worldwide. Several therapeutic approaches have been suggested and applied to treat cancer with impressive results. Immunotherapy based on targeting immune checkpoint signaling pathways proved to be one of the most efficient. In this review article, we will focus on the recently discovered TNFα‐TNFR2 signaling pathway, which controls the immunological and pro‐angiogenic properties of many immunoregulatory and pro‐angiogenic cells such as endothelial progenitor cells (EPCs), mesenchymal stem cells (MSCs), and regulatory T cells (Tregs). Due to their biological properties, these cells can play a major role in cancer progression and metastasis. Therefore, we will discuss the advantages and disadvantages of an anti‐TNFR2 treatment that could carry two faces under one hood. It interrupts the immunosuppressive and pro‐angiogenic behaviors of the above‐mentioned cells and interferes with tumor growth and survival.
A multi‐dimensional evaluation system for e‐government development: Based on complex systems theory
Authors: Peng Lifang , Peng Yubo , Wang Suli , Jiang Hui , Li Gang
Published: August 2024

Governments are increasingly placing an emphasis on the long‐term growth of e‐government development. However, the evaluation of e‐government development is still in its infancy. The current research proposes a multi‐dimensional evaluation system of e‐government development based on Complex Systems Theory. Accordingly, we extracted three dimensions with 17 criteria and collected actual data of e‐government development from 17 cities in Shandong, China as an example. The Analytic Hierarchy Process‐Entropy Method (AHP‐EM) was employed to correctly and objectively evaluate the performance of e‐government development. Furthermore, we analyze the current situations and deficiencies of e‐government development in each city of Shandong, China and offer recommendations for sustainable e‐government development using geographical distribution maps and radar graph.
Taurine and enzymatically modified isoquercitrin protected against methotrexate‐induced deteriorations in the conductivity and rhythmicity of the heart in rats: Antioxidant, anti‐inflammatory, and histological architecture approach
Authors: Mahmoud Marwa M. , El‐Batran Seham A. , Hegazy Rehab , El‐Sayed Wael M.
Published: August 2024

Cardiotoxicity is one of the most devastating complications of cancer treatment by methotrexate (MTX). The present study aimed to investigate the potential anti‐cardiotoxic efficacy of taurine (Tau) and enzymatically modified isoquercitrin (EMIQ) alone or combined against MTX‐induced cardiotoxicity in adult male rats. A total of 36 rats were randomly divided into six groups (six animals each): control, MTX (a single i.p. dose of 20 mg/kg), EMIQ + MTX (26 mg/kg of EMIQ, p.o. for 16 days), Tau + MTX (500 mg/kg of Tau, p.o. for 16 days), EMIQ + Tau + MTX at the same previous doses, and (EMIQ + Tau)½ + MTX. MTX reduced the percentage of body weight change, the expression of dihydrofolate reductase (DHFR) and folypolyglutamyl synthetase (FPGS), the cleaved tumor necrosis factor alpha (TNF‐α) level in the cardiac tissue, and the elevated serum TNF‐α level. MTX extensively deteriorated the electrocardiography (ECG), inducing tachycardia with shortening of the time intervals between successive heartbeats (R‐R interval), associated with elongation of ventricular depolarization (QRS interval), and the corrected total time for ventricular de‐ and repolarization (QTc) duration. Treatment with MTX resulted in a significant reduction in atrial depolarization (P amplitude) and rapid repolarization (T amplitude) and a significant elevation in plateau phase (ST height). MTX treatment resulted in swelling of cardiomyocytes with extensive vacuolization of sarcoplasm with numerous variably sized vacuoles in addition to apoptotic cells. Tau and EMIQ protected against MTX‐induced deteriorations in the conductivity and rhythmicity of the heart through antioxidative, anti‐inflammatory, and antiapoptotic activities. Treatment with tau and EMIQ combined at high or low doses offered superior protection to the heart than using each agent alone.
The high electron mobility for spin‐down channel of two‐dimensional spin‐polarized half‐metallic ferromagnetic EuSi2N4 monolayer
Authors: Zhang Bo , Wang Huai‐Qian , Li Hui‐Fang , Zheng Hao , Zhang Yong‐Hang , Mei Xun‐Jie , Zhang Jia‐Ming , Jiang Kai‐Le , Jiang Qing‐Wei
Published: August 2024

The two‐dimensional (2D) monolayer material MoSi2N4 was successfully synthesized in 2020[Hong et al., Science 369, 670, (2020)], exhibiting a plethora of new phenomena and unusual properties, with good stability at room temperature. However, MA2Z4 family monolayer materials involve primarily transition metal substitutions for M atoms. In order to address the research gap on lanthanide and actinide MA2Z4 materials, this work conducts electronic structure calculations on novel 2D MSi2N4 (M = La, Eu) monolayer materials by employing first‐principles methods and CASTEP. High carrier mobility is discovered in the indirect bandgap semiconductor 2D LaSi2N4 monolayer (~5400 cm2 V−1 s−1) and in the spin (spin‐down channel) carrier mobility of the half‐metallic ferromagnetic EuSi2N4 monolayer (~2800 cm2 V−1 s−1). EuSi2N4 monolayer supplements research on spin carrier mobility in half‐metallic ferromagnetic monolayer materials at room temperature and possesses a magnetic moment of 5 μB, which should not be underestimated. Furthermore, due to the unique electronic band structure of EuSi2N4 monolayer (with the spin‐up channel exhibiting metallic properties and the spin‐down channel exhibiting semiconductor properties), it demonstrates a 100% spin polarization rate, presenting significant potential applications in fields such as magnetic storage, magnetic sensing, and spintronics.
The LTAR Integrated Common Experiment at Upper Mississippi River Basin‐Platteville
Authors: Busch Dennis L. , Mahmud Kishan , Johnson Jane M. F. , Papanicolaou Athanasios , Baker John M. , Cartmill Andrew D.
Published: August 2024

Alternative agronomic practices are needed to address the various climatic, agronomic, edaphic, and water quality related challenges faced by the dairy farmers of the Driftless Area (DA) in the Upper Mississippi River Basin (UMRB). These practices should be innovative in nature, inclusive of regional stakeholders, and sustainable to meet the future food and climate related challenges of Wisconsin agriculture. Here, we outline our Integrated (grazing and cropland) Long‐Term Agroecosystem Research Common Experiment at the University of Wisconsin‐Platteville Pioneer Farm (UW‐P PF) in the UMRB and describe our collaboration in this USDA network. In this field‐scale experiment, we are comparing the conventional dairy production system common to this region (i.e., corn‐on‐corn [Zea mays L.] for 4 years, followed by alfalfa [Medicago sativa L.] for 3 years, with no cover crops) with two alternative dairy production systems—(1) soil health management with no‐till, cover crops, and application of a novel manure‐based nutrient‐rich stable product, and (2) management intensive grazing—and rotational grazing on pastures established with diverse forage–legume mix. Meteorological, edaphic, hydrologic, and agronomic data are collected and analyzed at regular frequencies. Going forward, the experiment will continue as a form of stakeholder‐driven adaptive research and receive evaluation on a regular basis to determine whether any changes are required to address the “real‐world” challenges faced by the farmers in the Midwest.
Cellular mechanisms of acute rhabdomyolysis in inherited metabolic diseases
Authors: de Calbiac Hortense , Imbard Apolline , de Lonlay Pascale
Published: August 2024

Acute rhabdomyolysis (RM) constitutes a life‐threatening emergency resulting from the (acute) breakdown of skeletal myofibers, characterized by a plasma creatine kinase (CK) level exceeding 1000 IU/L in response to a precipitating factor. Genetic predisposition, particularly inherited metabolic diseases, often underlie RM, contributing to recurrent episodes. Both sporadic and congenital forms of RM share common triggers. Considering the skeletal muscle's urgent need to rapidly adjust to environmental cues, sustaining sufficient energy levels and functional autophagy and mitophagy processes are vital for its preservation and response to stressors. Crucially, the composition of membrane lipids, along with lipid and calcium transport, and the availability of adenosine triphosphate (ATP), influence membrane biophysical properties, membrane curvature in skeletal muscle, calcium channel signaling regulation, and determine the characteristics of autophagic organelles. Consequently, a genetic defect involving ATP depletion, aberrant calcium release, abnormal lipid metabolism and/or lipid or calcium transport, and/or impaired anterograde trafficking may disrupt autophagy resulting in RM. The complex composition of lipid membranes also alters Toll‐like receptor signaling and viral replication. In response, infections, recognized triggers of RM, stimulate increased levels of inflammatory cytokines, affecting skeletal muscle integrity, energy metabolism, and cellular trafficking, while elevated temperatures can reduce the activity of thermolabile enzymes. Overall, several mechanisms can account for RMs and may be associated in the same disease‐causing RM.
Checking the inventory: Illustrating different methods for individual participant data meta‐analytic structural equation modeling
Authors: Groot Lennert J. , Kan Kees‐Jan , Jak Suzanne
Published: August 2024

Researchers may have at their disposal the raw data of the studies they wish to meta‐analyze. The goal of this study is to identify, illustrate, and compare a range of possible analysis options for researchers to whom raw data are available, wanting to fit a structural equation model (SEM) to these data. This study illustrates techniques that directly analyze the raw data, such as multilevel and multigroup SEM, and techniques based on summary statistics, such as correlation‐based meta‐analytical structural equation modeling (MASEM), discussing differences in procedures, capabilities, and outcomes. This is done by analyzing a previously published collection of datasets using open source software. A path model reflecting the theory of planned behavior is fitted to these datasets using different techniques involving SEM. Apart from differences in handling of missing data, the ability to include study‐level moderators, and conceptualization of heterogeneity, results show differences in parameter estimates and standard errors across methods. Further research is needed to properly formulate guidelines for applied researchers looking to conduct individual participant data MASEM.
Otolaryngic Allergy Patient Journey Mapping: A Framework for Allergy Immunotherapy Adherence
Authors: Melon David E. , Pillsbury Harold C. , Harrill Willard C.
Published: August 2024

Objectives

Allergen‐specific immunotherapy (AIT) is an effective treatment for allergic disease but requires long treatment duration and premature cessation is of significant concern. Drivers of premature cessation remain poorly understood and no predictive models currently exist. We hypothesized that a novel patient journey map and de novo real‐time patient electronic health status instruments (eHSIs) could effectively capture patient perceived cost, commitment, and treatment benefit to identify individual patients at risk for premature AIT cessation.

Study Type

Cross‐Sectional Observational Study.

Methods

A single Otolaryngology allergy immunotherapy (AIT) program was studied over 5 years. Instances of premature cessation were classified. An Otolaryngic Allergy Patient Journey Map was developed to identify and target automated, real‐time, patient‐reported, electronic health status instrument responses.

Results

Data capture was robust, with 61,406 data points collected and an eHSI survey completion rate of 81.3%. However, based on correlation analysis and logistic regression alone, real‐time eHSI responses were not predictive of individual patient premature AIT cessation. A total of 597 AIT patients discontinued treatment prematurely: 64.4% stopping within the first year. Specifically, 74.0%–76.3% of subcutaneous AIT patients and 88.5%–100% of sublingual AIT patients did not complete the minimum recommended treatment duration of 3 years.

Conclusion

Patient journey mapping can aid in the design of longitudinal care models and patient engagement strategies. Yet, eHSI patient responses of perception of AIT cost, benefit, and convenience did not correlate with the likelihood of premature treatment cessation. Our imperfect clinical intuition may not account for the dynamic drivers of premature AIT discontinuation. Future development of predictive tools feed by large patient‐centric data sets may be incorporated into routine practice resulting in delivery of a more streamlined and personalized approach with reduced premature AIT cessation, improved outcomes, and reduced health care expenditures.

Level of Evidence

NA Laryngoscope, 134:S1–S14, 2024
Olfactory perceptual fingerprints of people with olfactory dysfunction and healthy controls
Authors: Drnovsek Eva , Haehner Antje , Bensafi Moustafa , Hummel Thomas
Published: August 2024

Objective(s)

An olfactory perceptual fingerprint (OPF) defines one's olfactory perception using perceptual descriptor ratings (such as odor pleasantness, intensity) for a set of odors. OPFs have been shown to distinguish patients with COVID‐related olfactory dysfunction (OD) and healthy controls with 86% accuracy. However, all participants rated the same odorants. With the aim to evaluate whether the OPFs are indeed odorant independent, previously published dataset by Lötsch et al. was reanalyzed. Furthermore, this independent dataset was used to check whether the OPFs separate patients with OD due to various causes from controls.

Methods

The study included 104 controls and 42 patients, who were randomized into four odor sets with 10 odorants each. Odorants were presented using a computer‐controlled olfactometer and evaluated on scales from 1 (not at all) to 5 (very) using perceptual descriptors pleasant, intensive, familiar, edible, irritating, cold/warm, and painful.

Results

Permutational multivariate analysis of variance showed that the odor set did not have a significant effect on the OPFs, confirming that the OPFs are indeed odorant independent. On the other hand, both diagnosis and age affected the OPFs (p < .001) and explained around 11% and 5% of the variance of the OPFs, respectively. Furthermore, a supervised machine learning method, random forest classifier, showed that OPF can distinguish patients and controls with 80% accuracy.

Conclusion

OPFs are odorant independent. Patients perceived odors as less familiar, less intense, and less edible than controls. Other perceptual descriptors were much less important for the separation of patients and controls.

Level of evidence

3
Temporal distance in dual sourcing: A behavioural investigation
Authors: Balaguer‐Mercado Alain , Kirshner Samuel N. , Tseng Chung‐Li
Published: August 2024

We explored the influence of temporal distances on order allocation between a low‐cost, less reliable supplier and a reliable, high‐cost supplier. We posited that a far temporal distance increases the preference for the unreliable, low‐cost supplier. We conducted a vignette‐based experiment where participants placed orders between the suppliers with different reliability and cost levels. Our experiment showed that a longer lead time led to larger orders for the low‐cost unreliable supplier. Our insights help explain how temporal distances inherent in supply chains can elicit differing evaluations of suppliers, altering ordering decisions.