bluuebunny/crossref_metadata_2025 huggingface dataset:
How does digital transformation promote total factor productivity? Strategy, technology, and application
Authors: Liu Wenjing , Liu Caixia , Luo Jing , Liu Feng
Published: March 2024

To examine the productivity paradox in the digital era, we explore the impact of digital transformation (DT) on total factor productivity (TFP). Based on a large sample of Chinese manufacturing firms, this study conducts a machine learning approach to examine the effects of DT on TFP at the strategy, technology, and application levels. The results indicate that blockchain, DT strategy, cloud computing, artificial intelligence, DT application, and big data, in ascending order of importance, positively affect TFP. Overall, this study enriches DT literature by verifying the impact of DT indexes on TFP and helps companies make decisions when undertaking DT implementation.
Bullous pemphigoid is a rare autoimmune skin disease that affects the scalp: A case report
Authors: Sunil Kumar Salkapuram , Elumalai Karthikeyan , Subramaniyan Navaneetha Krishnan , Sivannan Srinivasan , Srinivasan Sivaneswari
Published: March 2024

Pemphigoid, a rare autoimmune skin disease affecting the elderly, requires effective pharmacy management. This includes medication therapy, patient education, and counseling. Understanding pharmacokinetics and potential drug interactions are crucial for optimal treatment and minimizing adverse effects. In this case, the patient is a 65‐year‐old male who was diagnosed with pemphigoid 2 months ago. He is currently taking prednisone, an oral corticosteroid, to manage the symptoms. The pharmacist plays a crucial role in medication therapy by monitoring the patient's response to the medication and adjusting the dosage if necessary. Additionally, patient education is vital in ensuring that the patient understands the importance of adherence to the medication regimen and the potential side effects. The pharmacist can also provide counseling on lifestyle modifications and self‐care measures to alleviate symptoms and improve the quality of life. Overall, effective pharmacy management is essential for optimizing treatment outcomes and promoting patient well‐being in pemphigoid cases. The pharmacist's role in pemphigoid cases is crucial for effective medication management and patient education. They monitor the patient's response to treatment, make necessary adjustments, and empower them to take an active role in managing their condition. This approach ultimately improves the overall well‐being of patients with pemphigoid.
Pulmonary MRI with hyperpolarized xenon‐129 demonstrates novel alterations in gas transfer across the air‐blood barrier in asthma
Authors: Qing Kun , Altes Talissa A. , Mugler John P. , Tustison Nicholas J. , Mata  , Ruppert Kai , Komlosi Peter , Feng Xue , Nie Ke , Zhao Li , Wang Zhixing , Hersman F. William , Ruset Iulian C. , Liu Bo , Shim Yun Michael , Teague William Gerald
Published: March 2024

Background

Individuals with asthma can vary widely in clinical presentation, severity, and pathobiology. Hyperpolarized xenon‐129 (Xe129) MRI is a novel imaging method to provide 3‐D mapping of both ventilation and gas exchange in the human lung.

Purpose

To evaluate the functional changes in adults with asthma as compared to healthy controls using Xe129 MRI.

Methods

All subjects (20 controls and 20 asthmatics) underwent lung function measurements and Xe129 MRI on the same day. Outcome measures included the pulmonary ventilation defect and transfer of inspired Xe129 into two soluble compartments: tissue and blood. Ten asthmatics underwent Xe129 MRI before and after bronchodilator to test whether gas transfer measures change with bronchodilator effects.

Results

Initial analysis of the results revealed striking differences in gas transfer measures based on age, hence we compared outcomes in younger (n = 24, ≤ 35 years) versus older (n = 16, > 45 years) asthmatics and controls. The younger asthmatics exhibited significantly lower Xe129 gas uptake by lung tissue (Asthmatic: 0.98% ± 0.24%, Control: 1.17% ± 0.12%, P = 0.035), and higher Xe129 gas transfer from tissue to the blood (Asthmatic: 0.40 ± 0.10, Control: 0.31% ± 0.03%, P = 0.035) than the younger controls. No significant difference in Xe129 gas transfer was observed in the older group between asthmatics and controls (P > 0.05). No significant change in Xe129 transfer was observed before and after bronchodilator treatment.

Conclusions

By using Xe129 MRI, we discovered heterogeneous alterations of gas transfer that have associations with age. This finding suggests a heretofore unrecognized physiological derangement in the gas/tissue/blood interface in young adults with asthma that deserves further study.
A Social Media Quality Review of Popular Sinusitis Videos on TikTok
Authors: Dimitroyannis Rose , Fenton David , Cho Stella , Nordgren Rachel , Pinto Jayant M. , Roxbury Christopher R.
Published: March 2024

Objective

Social media may inform health care decisions among younger patient populations. TikTok is a social media platform that allows users to post short‐form videos. This study aimed to assess the quality of sinusitis‐related videos on TikTok.

Study Design

We searched TikTok on January 29, 2023, for sinusitis‐related hashtags: #sinusitis, #sinus, #sinusinfection.

Setting

Internet.

Methods

The number of views/shares per day, uploader type (nonmedical influencer, lay individual, and medical professional) content categories (medical advice, marketing, comedy, and lifestyle/acceptability), and content type (educational vs factual) were collected. The Patient Education Materials Assessment Tool for Audiovisual Material and Journal of the American Medical Association criteria score was used to measure understandability, actionability, and reliability. The Global Quality Scale (GQS) was used to evaluate the quality of videos; the harm/benefit score was used to evaluate causative effects. Analyses were performed using analysis of variance (α = .05).

Results

There were 221 videos identified, which garnered over 300 million views and 1 million shares. Almost half of the videos were published by nonmedical influencers. When controlling for covariates, nonmedical influencers and lay uploaders were more likely to have harmful harm/benefit scores, less understandable videos, and lower GQS scores compared to medical professionals. Less than half of videos posted by nonmedical influencers categorized as educational were factual (46.7%); lay individuals and medical professionals had higher rates of factual educational content (79.9% and 83.7%, respectively).

Conclusion

Most nonmedical influencer‐posted TikTok videos about sinusitis are inaccurate, despite being portrayed as medical advice/educational. Rhinologists must find modern ways to disseminate true disease‐related content via social media to combat medical misinformation.
Upper Respiratory Symptoms as Long COVID: Insight from a Multicenter Cohort Study
Authors: Okada Masahiko , Ishida Noriyuki , Kanzaki Sho , Kawada Ichiro , Nagashima Kengo , Terai Hideki , Hiruma Gaku , Namkoong Ho , Asakura Takanori , Masaki Katsunori , Ohgino Keiko , Miyata Jun , Chubachi Shotaro , Kodama Nobuhiro , Maeda Shunsuke , Sakamoto Satoshi , Okamoto Masaki , Nagasaki Yoji , Umeda Akira , Miyagawa Kazuya , Shimada Hisato , Minami Kazuhiro , Hagiwara Rie , Ishii Makoto , Sato Yasunori , Fukunaga Koichi
Published: March 2024

Objective

This study aimed to investigate the clinical features of long COVID cases presenting with upper respiratory symptoms, a topic not yet fully elucidated.

Study Design

Prospective cohort study.

Setting

A multicenter study involving 26 medical facilities in Japan.

Methods

Inclusion criteria were patients aged ≥18 years old with a confirmed COVID‐19 diagnosis via severe acute respiratory syndrome coronavirus 2 polymerase chain reaction or antigen testing, who were hospitalized at the participating medical facilities. Analyzing clinical information and patient‐reported outcomes from 1009 patients were analyzed. The outcome measured the degree of initial symptoms for taste or olfactory disorders and assessed the likelihood of these symptoms persisting as long COVID, as well as the impact on quality of life if the upper respiratory symptoms persisted as long COVID.

Results

Patients with high albumin, low C‐reactive protein, and low lactate dehydrogenase in laboratory tests tended to experience taste or olfactory disorders as part of long COVID. Those with severe initial symptoms had a higher risk of experiencing residual symptoms at 3 months, with an odds ratio of 2.933 (95% confidence interval [CI], 1.282‐6.526) for taste disorders and 3.534 (95% CI, 1.382‐9.009) for olfactory disorders. Presence of upper respiratory symptoms consistently resulted in lower quality of life scores.

Conclusion

The findings from this cohort study suggest that severe taste or olfactory disorders as early COVID‐19 symptoms correlate with an increased likelihood of persistent symptoms in those disorders as long COVID.
Metabolic and elemental profiling as potential discriminating features among the black mahlab seeds (Monechma ciliatum) grown in three different regions
Authors: Mariod Abdalbasit Adam , Tahir Haroon Elrasheid
Published: March 2024

Introduction

Black mahlab (Monechma ciliatum) seed is a rich source of metabolites and minerals and is usually believed to have a similar composition between different areas of cultivation. Until now, no studies have assessed changes in black mahlab seeds (BMSs) to determine those constituents that help to discriminate them according to geographical origin.

Objectives

The present study attempted to compare the metabolomics and elemental profiles of BMSs of different geographical origins and identified the potential markers using ultrahigh‐performance liquid chromatography quadrupole Orbitrap tandem mass spectrometry (UHPLC‐Q‐Orbitrap‐MS2), and inductively coupled plasma mass spectrometry (ICP‐MS) techniques and established the chemometric model to identify the potential markers and discriminate them according to cultivation sites.

Material and methods

In this work, data from metabolites analysis by UHPLC‐Q‐Orbitrap‐MS2 and multi‐elemental data obtained from ICP‐MS were combined with chemometrics for tracing the geographical origin of BMSs. Principal component analysis (PCA) was used to evaluate the overall grouping of samples. In contrast, partial least squares‐discriminant analysis (PLS‐DA) and orthogonal partial least squares discriminant analysis (OPLS‐DA) were employed for authentication.

Results

PLS‐DA and OPLS‐DA models were fully validated (R2Y and Q2 values > 0.5). Variable importance of various projections was applied to obtain valuable data about differential elements (seven markers were identified) and metabolites (23 markers were identified) with high discrimination potential. The outcomes presented in this study serve as an appropriate framework for developing novel discrimination approaches in food origin screening.
Is the sequence ratio an unbiased estimate of the incidence rate ratio? A simulation study
Authors: Delvin Thomas , Egsgaard Sofie , Hallas Jesper , Kildegaard Helene , Lund Lars Christian , Rahbek Martin Torp
Published: March 2024

Purpose

We aimed to evaluate the conditions under which the sequence ratio (SR) obtained from a sequence symmetry analysis is an unbiased estimate of the true incidence rate ratio (IRR).

Methods

We simulated cohorts of 1 million individuals who could initiate an exposure drug and experience a very rare, rare, common, or frequent outcome of interest. The outcome rate among exposed individuals was modified by a true incidence rate ratio of 0.2, 0.5, 1.0, 2.0, and 5.0. We further evaluated scenarios where the outcome was fatal and led to immediate censoring or the outcome reduced the rate of initiation of the exposure drug.

Results

We found the SR to be close to unbiased for rare, common, and frequent events, except when the true IRR was 5.0 (mean SR 4.94 and 3.74 for common and frequent events). The SR was slightly biased when the outcome was very rare. When the outcome was potentially fatal, the SR was increasingly biased with an increasing probability of death. Likewise, when the outcome reduced the probability of future exposure, the SR was upwards biased.

Conclusion

The SR is a biased estimate of the incidence rate ratio, when the true IRR is high, the outcome has a high mortality, or when the outcome reduces the probability of future exposure.
Targeting glypicans through EGFR and JAK/STAT signaling axes drives breast cancer progression
Authors: Ioannou Paraskevi , Tzaferi Kyriaki , Koutsakis Christos , Piperigkou Zoi , Karamanos Nikos K.
Published: March 2024

Extracellular matrix (ECM) and its dynamic remodeling contribute to the progression of breast cancer, the most prevailing cancer type in women. Glypicans (GPCs) function as cell co‐receptors by facilitating the formation of ligand–receptor complexes. An important regulator in the context of breast cancer progression is the JAK/STAT signaling pathway that oversees the expression of genes associated with cancer cell characteristics. Epidermal growth factor receptor (EGFR) is a pivotal player in this process. The aim of this study is to examine the effect of the EGFR and JAK/STAT signaling pathways on GPCs expression in breast cancer cells with different estrogen receptor (ER) status, depicting different breast cancer subtypes. To this end, the ERα‐positive MCF‐7, and the ERβ‐positive MDA‐MB‐231 breast cancer cell lines were evaluated in terms of the impact of downstream inhibition of both pathways on the functional properties as well as the expression of GPCs 1‐6 genes. Notably, the downstream inhibition of both EGFR and JAK/STAT cascades mitigate cell proliferation and migration, while increasing cell adhesion on collagen type I in an ER‐independent manner. However, the inhibition exhibited a cell‐line‐dependent effect on GPC expression, as in MCF‐7 cells GPCs expression is mostly downregulated excepting GPC‐4 and GPC‐5. Conversely, in MDA‐MB‐231 cells, EGFR and JAK/STAT activation is essential for maintaining GPCs at low levels. Additionally, STRING analysis identified the small leucine‐rich PG decorin as a putative link between all GPCs and EGFR. Subsequently, a deeper understanding on the effect of EGFR and JAK/STAT signaling may shed light into the role and interplay between GPCs and decorin in breast cancer progression, thus contributing to novel therapeutic solutions.
Investigation of morphology and volume phase transition of supramacromolecular microgels by NMR spectroscopy and quartz crystal microbalance
Authors: Braun Susanne , Santi Marta , Demco Dan Eugen , Litzen Inga , Uecker Jan , Fechete Radu , Walkowiak Jacek Janusz , Pich Andrij
Published: March 2024

Microgels have a wide range of applications, from catalysis to biomedical applications such as drug delivery in dispersion, or as surface‐attached materials to improve the biocompatibility of implants or as anti‐fouling coatings. The first aim of this work is to understand the morphology of the supramacromolecular, tannic acid (TA) crosslinked microgels using two‐dimensional 1H NMR spectroscopy, and relaxometry. The second aim is to study the volume phase transition (VPT) of TA‐crosslinked microgels with different crosslinker densities in dispersion using NMR. In this context, 1H high‐resolution NMR spectroscopy is used in combination with the two‐state model and the Boltzmann sigmoidal function to determine thermodynamic quantities of the VPT, such as temperature (Tt), width of transition (ΔTt), and change in entropy (ΔS). Third, surface‐deposited microgels are characterized in terms of their VPT using a quartz crystal microbalance (QCM‐D) to study the properties of these microgels for applications where they are used as coatings. Finally, the Tt of microgels supramolecular crosslinked with TA are compared with microgels covalently crosslinked with N,N′‐methylenebisacrylamide (BIS) in dispersion, using NMR, and deposited on a surface, using QCM‐D. For this purpose temperature‐responsive poly(N‐vinylcaprolactam) and poly(N‐isopropylacrylamide) microgels crosslinked with the plant‐derived polyphenol TA or BIS are used.
On the Jones‐Wilkins‐Lee equation of state for high explosive products
Authors: Farag Gabriel , Chinnayya Ashwin
Published: March 2024

The Jones‐Wilkins‐Lee (JWL) model is a widely used Equation Of State (EOS) in the literature to model high explosive products. It is based on exponentially decaying isentropes in the pressure‐volume diagram, completed by an additional term meant to recover an ideal‐gas behavior for large expansions where exponential terms are negligible. A step‐by‐step analysis of the EOS is proposed. Starting from the main isentrope, the constant Grüneisen, and constant isochoric heat capacity, the JWL expressions of pressure, temperature, sound speed, specific internal energy, specific entropy and specific enthalpy are derived. For a specific set of JWL parameters meant to model HMX products, various thermodynamic fields are investigated in pressure–volume and temperature–volume planes. The positivity of pressure and temperature, the convexity, the thermodynamic stability, and the monotonicity along an Hugoniot are investigated in order to characterize the JWL domain of validity. For each of these constraints, different regions of validity are found. Besides presenting a study of the JWL model and its limits, this work also provides a standalone presentation and derivation containing the necessary materials for the understanding and for the use of the JWL EOS in reactive hydrodynamic simulations of condensed phase explosives.
2D‐Ordered Layers of Tomato Bushy Stunt Virus via Specific Binding
Authors: He Tao , Braun Mario , Boonrod Kajohn , Müller‐Renno Christine , Krczal Gabi , Ziegler Christiane
Published: March 2024

Plant viruses are perfect candidates for the construction of nanobiotechnological devices. When employed in intricate 2D or 3D architectures, a stable, ordered virus layer, as the foundational plane, is a prerequisite. In former investigations, Coulomb‐force‐assisted self‐assembly is utilized. However, these layers demonstrate instability in further processing in a solution. In this study, an innovative strategy for immobilizing tomato bushy stunt viral (TBSV) nanoparticles through specific binding is reported on. Genetically engineered TBSV nanoparticles with Strep‐Tag II side chains are anchored using surface‐immobilized Strep‐Tactin. Strep‐Tactin, an engineered type of streptavidin with a strong specific interaction with the Strep‐Tag II protein, is immobilized on a silicon wafer through 3‐aminopropyltriethoxyilane and maleimide functionalization. Herein, the investigation involves optimizing the viral concentration and the pH values of the viral solution, facilitating the achievement of an optimal distribution of viral nanoparticles without vacancies during immobilization. The Strep‐Tactin/Strep‐Tag II system significantly improves the coverage of viral particles on the silicon substrate compared to the direct immobilization onto the untreated silicon substrate. The formed layers exhibit remarkable stability, even under sonication. To validate the findings, scanning force microscopy serves as a critical tool for imaging.
Signatures of Mesoscopic Transport in Single Non‐Intentionally Doped GaN‐Nanowire Field‐Effect Transistors
Authors: Hergert Hannes , Zscherp Mario F. , Klement Philip , Schörmann Jörg , Chatterjee Sangam , Klar Peter J. , Elm Matthias T.
Published: March 2024

In this work, the fabrication and characterization of a fully functional field‐effect transistor (FET) are addressed based on a non‐intentionally doped GaN‐nanowire FET (NW–FET). Universal conductance fluctuations (UCFs) are observed at temperatures below 140 K. In contrast to other reports in literature, UCFs appear in the analyzed NW–FET only under the influence of an electrical field when applying a gate voltage, while no UCF signatures are observed when performing magnetic‐field‐dependent measurements. The reason is the considerable impact of the applied voltage on the narrow conductive channel of the non‐intentionally doped NW. The electrical field influences the Fermi level as well as the width of the depletion region, both changing the effective impurity distribution which determines the set of possible electron paths. The electric‐field‐induced variation of the set of electron paths correlates with a conductance variation, which leads to the occurrence of UCFs. Furthermore, the reliability of determining the phase coherence length from the NW–FET transfer characteristics is analyzed. It is shown that the value of is significantly affected by the choice of the gate voltage range due to the current dependence of the magnitude of the UCFs.
Deep‐Red (Sr,Ba)Lu2O4: Eu2+ Phosphor for Full‐Spectrum Lighting
Authors: Wang Shaoxiong , You Fengluan , Wang Shaojun , Pang Tao , Zeng Lingwei , Lin Shisheng , Zheng Yuanhui , Fang Yongzheng , Chen Daqin
Published: March 2024

Developing violet‐light‐excitable deep‐red (650–660 nm) Eu2+‐activated phosphor is essential for full‐spectrum lighting. However, the related phosphors with facile synthesis, excellent optical performance, and superior thermal stability are scarce. Herein, a new class of (Sr,Ba)Lu2O4: Eu2+ deep‐red phosphor (660 nm) excitable by violet light via Ba2+‐induced local structure engineering is reported. Impressively, tunable emission from 615 to 682 nm, accompanied by significant improvement of thermal stability (81%@423 K), is achieved by partially substituting Sr2+ by Ba2+ in SrLu2O4: Eu2+. Crystal field analysis, density functional theory calculations, and thermoluminescence spectra confirm that the strong distortion and enhanced covalency of [EuO6] octahedron are responsible for spectral tunability, and the formation of shallow trapping states is beneficial for electron compensation to inhibit thermal quenching in the Sr0.85Ba0.15Lu2O4: Eu2+ phosphor. Finally, a white light‐emitting diode prototype fabricated by coupling of the Sr0.85Ba0.15Lu2O4: Eu2+ deep‐red phosphor and commercial blue/green phosphors with violet chip can yield sunlight‐like white light with an ultra‐high color rendering index (Ra = 95.2, R9 = 97.0) and an appropriate correlated color temperature of 4121 K, verifying its significant application potential in full‐spectrum solid‐state lighting.
Interlayer Magnetic Exchange Mechanism of Bilayer Transition‐Metal Trihalides
Authors: Si Jun‐Shan , Wu Xu‐Cai , Li Shu‐Zong , Li Hongxing , Zhang Wei‐Bing
Published: March 2024

Layer‐ and stacking‐dependent interlayer magnetism observed in bilayer has attracted a lot of attention recently. Although considerable efforts have been made, the interlayer exchange mechanism still lacks a clear physical picture. In this paper, orbital overlap‐dependent super‐super‐exchange (SSE) interactions are proposed to understand the interlayer magnetism of bilayer (M = Cr, Fe, and Mo; X = Cl, Br, and I) with different stacking orders. The detailed atom‐ and orbital‐resolved magnetic exchange couplings are evaluated to reveal the underlying mechanism. The results suggest that the interlayer magnetic ground state of all bilayers are antiferromagnetism (AFM) due to the electronic configuration of cation. While and are found to possess stacking‐dependent interlayer magnetism due to the competition between AFM and ferromagnetism (FM), the dominant interlayer AFM exchange couplings are the and for and , respectively, indicating different underlying mechanisms. These distinct interlayer magnetism can be consistently understood by the number and strength of SSE paths, which can be determined by the rule based on the orbital overlap of mediating anions. Moreover, the atom‐ and orbital‐resolved magnetic exchange couplings are also evaluated in detail, which are in good agreement with the above qualitative mechanism. This work provides detailed information and insight for understanding the stacking‐dependent interlayer magnetism, which is beneficial for the application of 2D magnetic materials.
Crater radius analysis after dual droplets successive oblique impact on liquid film
Authors: Bao Minle , Zhao Denghui , Gong Luyuan , Guo Yali , Shen Shengqiang
Published: March 2024

Droplet impact is a common occurrence in nature, agriculture, and industry. The research on the multi‐droplet impact is fundamental to understanding the tangled nature of reality. This paper numerically studies the successive oblique impact of dual droplets on the liquid film by building an effective three‐dimensional model. The leading and trailing droplets are set to pass a certain impact point with the same velocity. The main contribution of this paper is the investigation of the effects of Weber number, liquid film thickness, impact angle, and impact time interval on the interface morphology evolution after the droplet impact. Results show that splash pattern conversion of the primary or secondary crown occurs with the change of these factors. Besides, the variations of the maximum crater radius in upstream, lateral, and downstream directions with time are quantitatively analyzed. The crater radius analysis is carried out from three perspectives, the variation during the single droplet impact, the change during the dual droplets impact, and the comparison between them. It is found that the crater of dual droplets impact exhibits shape distortion in the deformation period and appears a marked dimensional increase in the secondary expansion period.
Efficient Removal of Organic and Inorganic Pollutants from Water Using Fe3O4@SiO2@CS@EDTA Nanocomposite: Optimization via Response Surface Methodology (RSM)
Authors: Ebrahimzadeh Farzaneh , Baramakeh Leila
Published: March 2024

The elimination of pollution from wastewater holds significant value, especially when targeting colored and heavy metals originating from industrial activities. This study aims to optimize the degradation of both organic and inorganic pollutants in water by utilizing Fe3O4@SiO2@CS@EDTA (NCM@EDTA) core‐shell nanocomposite adsorbents. The NCM@EDTA adsorbents were synthesized in a step‐by‐step process and characterized using various techniques. Field emission scanning electron microscopy (FESEM) revealed an increase in average size to 137 nm, and transmission electron microscopy (TEM) confirmed the presence of a core‐shell structure. Additional characterization techniques included XRD, XPS, FT‐IR, EDX, BET analysis, and VSM, establishing the presence of functional groups, elemental analysis, and magnetic properties. Optimization of pollutant removal was conducted using response surface methodology (RSM), considering factors such as NCM@EDTA amount, reaction time, and temperature. Under optimized conditions, significant removal efficiency for Congo red, Safranin, and Cu2+ – representing cationic, anionic, and inorganic pollutants – was observed. The adequacy of the models was evaluated using p‐Value, F‐value, adjusted R2, and correlation coefficient (R2) for every pollutant, indicating a strong agreement between experimental data and predicted values. Additionally, the process of adsorbent recycling was studied, revealing that the internal structure remains unchanged throughout the removal and recovery process.
Onosma demirizii: Chemical composition, antioxidant and enzyme inhibitory activity
Authors: Ozer Mehmet Sabih , Karan Remzi Can , Ceylan Olcay , Sarikurkcu Cengiz , Sihoglu Tepe Arzuhan , Aboul‐Soud Mourad A. M. , Ghneim Hazem K.
Published: March 2024

The primary objectives of the present work were to determine the chemical composition, antioxidant potential and enzyme inhibitory activity of three extracts derived from Onosma demirizii (Boraginaceae), including methanol, water and ethyl acetate, and to chemically characterize the phytochemicals underlying this activity. A rapid, reproducible, simple, and sensitive method, which had been previously validated, was employed to identify 31 phenolics based on liquid chromatography electrospray ionization tandem mass spectrometry (LC‐ESI‐MS/MS). The conducted analysis of LC‐ESI‐MS/MS indicated that the methanol extract of O. demirizii was the richest in terms of both flavonoids and phenolics (42.75 mg GAEs/g extract and 59.90 mg QEs/g extract, respectively). The compounds with greatest abundance in methanol extract were hesperidin (177957 mg/g extract), chlorogenic acid (31815 mg/g extract), hyperoside (10199 mg/g extract), rosmarinic acid (8857 mg/g extract) and pinoresinol (2502 mg/g extract). Moreover, methanol extract exhibited the greatest activity in all antioxidant assays except for ferrous ion‐chelating assay. The EC50/IC50 values of the extract in CUPRAC and FRAP reducing power, phosphomolybdenum, DPPH and ABTS radical scavenging assays were determined to be 0.85, 1.47, 0.47, 1.78, and 1.67 mg/mL, respectively. However, the ferrous ion‐chelating assay was superior for water extract (1.07 mg/mL). Contrary to the results obtained from the assays of antioxidant activity, ethyl acetate extract was observed to be effective in enzymatic inhibition tests. The extract exhibited the highest activity against AChE and BChE (IC50 values 1.04 and 1.47 mg/mL, respectively). These extracts and compounds can be useful for the management of human diseases that are linked to oxidative stress.
Schwesinger Bases – Phosphazene Bases Stabilized by Multiple Counterpoise Hyperconjugative Interactions
Authors: Muhammed Shahila , Manojkumar Hrithik , Parameswaran Pattiyil
Published: March 2024

Electronic structure and proton affinity of Schwesinger bases (Pn bases where n=1–4 indicates the number of phosphorous atoms) were studied using quantum mechanical calculations carried out at M06/def2‐TZVPP//BP86‐D3(BJ)/def2‐TZVPP level of theory. Each phosphorous atom is in the ligating environment of four tricoordinated/dicoordinated nitrogen atoms having one/two lone pairs. While the lone pairs on the tricoordinated/dicoordinated nitrogen atoms act as hyperconjugative donors, the P−N σ* orbitals act as hyperconjugative acceptors. These phosphazene bases are highly stabilized by synergetic hyperconjugative interactions which can accordingly be termed as counterpoise hyperconjugation. The number and the extent of pseudo‐π‐delocalization resulting from hyperconjugative interactions get enhanced as P1 changes to P4. Moreover, additional pseudo‐π‐delocalization starts to appear as P1 changes to P4. The phosphazene P2 has one Ndi(σ)−P−Ndi(σ)−P pseudo‐π‐delocalization which is similar to that of classical π‐delocalization in 1,3‐butadiene. On the other hand, phosphazene P3 has two pseudo‐π‐delocalization similar to that of 1,3‐butadiene and one pseudo‐π‐delocalization similar to that of 1,3‐pentadienyl cation. There are three pseudo‐π‐delocalization similar to that of 1,3‐butadiene and another three pseudo‐π‐delocalization similar to that in 1,3‐pentadienyl cation in P4. Consequently, pseudo‐π‐delocalization is present in all the tetrahedral symmetry planes of P4. Hence, P4 can be considered as a three‐dimensional pseudo‐π delocalized system. Even though the lone pair orbitals are stabilized by hyperconjugative interactions, they are susceptible to protonation. Among the dicoordinated and tricoordinated nitrogen atoms, the proton affinity of the dicoordinated nitrogen atom connected to the tBu group is much higher (257.4 kcal/mol–291.6 kcal/mol), and the proton affinity values increase on going from P1 to P4. The very high proton affinity of this dicoordinated nitrogen atom indicates its superbasic character.
Insight on Heterocycles as p53‐MDM2 Protein‐Protein Interaction Inhibitors: Molecular Mechanism for p53 Activation
Authors: Basha N. Jeelan , Mohan R. M.
Published: March 2024

Transcription factor p53, also known as tumor suppressor protein. Encoded by the TP53 gene, the guardian of genome p53 regulates many gene pathways. Nevertheless, the molecular mechanisms of p53 functioning have been known for a few decades, and the exact role of p53 in cancer therapy is unclear. Also, comprehensive literature on heterocycles as p53‐MDM2 protein‐protein interaction inhibitors is limited. This review covers the molecular mechanism for the p53‐MDM2 interaction and its inhibition by the heterocyclic small molecules. We hope the present comprehensive study will help to develop heterocycles as anticancer drugs that induce apoptosis in tumor cells.
Biosynthesis, Characterization and Optimization of Silver Nanoparticles with Strong Antibacterial Activity Using Cell Extracts of Cyanobacterial Chroococcus sp.
Authors: Çiğdem Uğur , Yılmaz Öztürk Betül , Dağ İlknur
Published: March 2024

The synthesis of Cyanobacteria‐mediated nanoparticles has attracted great attention due to its ecofriendly, cost‐effective and biocompatible properties. Silver nanoparticles (AgNPs) are used in different areas such as medicine, household products, disinfectants or food storage. The present study aimed the biosynthesis of AgNPs from Cyanobacterial Chroococcus sp. and their antimicrobial activities on some important pathogen bacterial species. According to the obtained data, optimal conditions for synthesis of AgNPs were extract rate 3 : 1 v/v (cell extract/AgNO3), silver salt concentration 10 mM, pH 7, temperature 60 °C and time 30 minutes. The surface plasmon resonance peak of AgNPs was observed at 420–430 nm, and AgNPs were well‐dispersed spherical with an average size of 11–13 nm in diameter by TEM. SEM‐EDX analysis revealed a strong signal of silver. With FTIR analyzes, shift in the absorption bands after the AgNPs formation was confirmed. X‐ray diffraction analysis exhibited that the AgNPs were cubic crystalline shape. Zeta potential of AgNPs showed ‐ 20 mV. The AgNPs strong showed antibacterial activity on an opportunistic bacterial pathogens of Micococcus luteus, Bacillus subtilis and Pseudomonas aeroginosa. The effective and rapid synthesis of Chroococcus‐mediated AgNPs and their strong antimicrobial effects can create an important potential for their use in biomedical and environmental applications.
Nanomaterials in 4D Printing: Expanding the Frontiers of Advanced Manufacturing
Authors: Guo Shengbo , Cui Haitao , Agarwal Tarun , Zhang Lijie Grace
Published: March 2024

As an innovative technology, four‐dimentional (4D) printing is built upon the principles of three‐dimentional (3D) printing with an additional dimension: time. While traditional 3D printing creates static objects, 4D printing generates “responsive 3D printed structures”, enabling them to transform or self‐assemble in response to external stimuli. Due to the dynamic nature, 4D printing has demonstrated tremendous potential in a range of industries, encompassing aerospace, healthcare, and intelligent devices. Nanotechnology has gained considerable attention owing to the exceptional properties and functions of nanomaterials. Incorporating nanomaterials into an intelligent matrix enhances the physiochemical properties of 4D printed constructs, introducing novel functions. This review provides a comprehensive overview of current applications of nanomaterials in 4D printing, exploring their synergistic potential to create dynamic and responsive structures. Nanomaterials play diverse roles as rheology modifiers, mechanical enhancers, function introducers, and more. The overarching goal of this review is to inspire researchers to delve into the vast potential of nanomaterial‐enabled 4D printing, propelling advancements in this rapidly evolving field.
Ultrathin and Biodegradable Bismuth Oxycarbonate Nanosheets with Massive Oxygen Vacancies for Highly Efficient Tumor Therapy
Authors: Shi Shuzhi , Li Xin , Zhang Yi , Huang Haiyan , Liu Jinliang , Zhang Jing , Wang Zhigang , Niu Haitao , Zhang Yong , Mei Qingsong
Published: March 2024

Nanomaterials doped with high atom number elements can improve the efficacy of cancer radiotherapy, but their clinical application faces obstacles, such as being difficult to degrade in vivo, or still requiring relatively high radiation dose. In this work, a bismuth oxycarbonate‐based ultrathin nanosheet with the thickness of 2.8 nm for safe and efficient tumor radiotherapy under low dose of X‐ray irradiation is proposed. The high oxygen content (62.5% at%) and selective exposure of the facets of ultrathin 2D nanostrusctures facilitate the escape of large amounts of oxygen atoms on bismuth nanosheets from surface, forming massive oxygen vacancies and generating reactive oxygen species that explode under the action of X‐rays. Moreover, the exposure of almost all atoms to environmental factors and the nature of oxycarbonates makes the nanosheets easily degrade into biocompatible species. In vivo studies demonstrate that nanosheets could induce apoptosis in cancer cells after low dose of X‐ray irradiation without causing any damage to the liver or kidney. The tumor growth inhibition effect of radiotherapy increases from 49.88% to 90.76% with the help of bismuth oxycarbonate nanosheets. This work offers a promising future for nanosheet‐based clinical radiotherapies of malignant cancers.
Metal‐Organic Framework Based Mucoadhesive Nanodrugs for Multifunction Helicobacter Pylori Targeted Eradication, Inflammation Regulation and Gut Flora Protection
Authors: Zhou Yanan , Zhang Wei , He Cong , Shu Chunxi , Xu Xinbo , Wang Huan , Fei Xiao , Li Nianshuang , Hu Yi , Xie Chuan , Lu Nonghua , Wang Xiaolei , Zhu Yin
Published: March 2024

The prevalence of drug‐resistant bacteria presents a significant challenge to the antibiotic treatment of Helicobacter pylori (H. pylori), while traditional antimicrobial agents often suffer from shortcomings such as poor gastric retention, inadequate alleviation of inflammation, and significant adverse effects on the gut microbiota. Here, a selenized chitosan (CS‐Se) modified bismuth‐based metal‐organic framework (Bi—MOF@CS‐Se) nanodrug is reported that can target mucin through the charge interaction of the outer CS–Se layer to achieve mucosal adhesion and gastric retention. Additionally, the Bi—MOF@CS‐Se can respond to gastric acid and pepsin degradation, and the exposed Bi—MOF exhibits excellent antibacterial properties against standard H. pylori as well as clinical antibiotic‐resistant strains. Remarkably, the Bi—MOF@CS‐Se effectively alleviates inflammation and excessive oxidative stress by regulating the expression of inflammatory factors and the production of reactive oxygen species (ROS), thereby exerting therapeutic effects against H. pylori infection. Importantly, this Bi—MOF@CS‐Se nanodrug does not affect the homeostasis of gut microbiota, providing a promising strategy for efficient and safe treatment of H. pylori infection.
MRI‐Guided Tumor Therapy Based on Synergy of Ferroptosis, Immunosuppression Reversal and Disulfidptosis
Authors: Guo Shuai , Li Zongheng , Zhou Ruilong , Feng Jie , Huang Lin , Ren Bin , Zhu Jiaoyang , Huang Ya , Wu Guochao , Cai Haobin , Zhang Qianqian , Ke Yushen , Guan Tianwang , Chen Peier , Xu Yikai , Yan Chenggong , Ou Caiwen , Shen Zheyu
Published: March 2024

Triple negative breast cancer (TNBC) cells have a high demand for oxygen and glucose to fuel their growth and spread, shaping the tumor microenvironment (TME) that can lead to a weakened immune system by hypoxia and increased risk of metastasis. To disrupt this vicious circle and improve cancer therapeutic efficacy, a strategy is proposed with the synergy of ferroptosis, immunosuppression reversal and disulfidptosis. An intelligent nanomedicine GOx‐IA@HMON@IO is successfully developed to realize this strategy. The Fe release behaviors indicate the glutathione (GSH)‐responsive degradation of HMON. The results of titanium sulfate assay, electron spin resonance (ESR) spectra, 5,5’‐Dithiobis‐(2‐nitrobenzoic acid (DTNB) assay and T1‐weighted magnetic resonance imaging (MRI) demonstrate the mechanism of the intelligent iron atom (IA)‐based cascade reactions for GOx‐IA@HMON@IO, generating robust reactive oxygen species (ROS). The results on cells and mice reinforce the synergistic mechanisms of ferroptosis, immunosuppression reversal and disulfidptosis triggered by the GOx‐IA@HMON@IO with the following steps: 1) GSH peroxidase 4 (GPX4) depletion by disulfidptosis; 2) IA‐based cascade reactions; 3) tumor hypoxia reversal; 4) immunosuppression reversal; 5) GPX4 depletion by immunotherapy. Based on the synergistic mechanisms of ferroptosis, immunosuppression reversal and disulfidptosis, the intelligent nanomedicine GOx‐IA@HMON@IO can be used for MRI‐guided tumor therapy with excellent biocompatibility and safety.
Securing LYTAC with Logic‐Identification System for Cancer Cell‐Selective Membrane Protein Degradation
Authors: Fang Yanyun , Zhang Yue , Bi Shiyi , Peng Bo , Wang Caixia , Ju Huangxian , Liu Ying
Published: March 2024

Lysosome‐targeting chimera (LYTAC) links proteins of interest (POIs) with lysosome‐targeting receptors (LTRs) to achieve membrane protein degradation, which is becoming a promising therapeutic modality. However, cancer cell‐selective membrane protein degradation remains a big challenge considering expressions of POIs in both cancer cells and normal cells, as well as broad tissue distribution of LTRs. Here a logic‐identification system is designed, termed Logic‐TAC, based on cell membrane‐guided DNA calculations to secure LYTAC selectively for cancer cells. Logic‐TAC is designed as a duplex DNA structure, with both POI and LTR recognition regions sealed to avoid systematic toxicity during administration. MCF‐7 and MCF‐10A are chosen as sample cancer cell and normal cell respectively. As input 1 for logic‐identification, membrane proteins EpCAM, which is highly expressed by MCF‐7 but barely by MCF‐10A, reacts with Logic‐TAC to expose POI recognition region. As input 2 for logic‐identification, Logic‐TAC binds to POI, membrane protein MUC1, to expose LTR recognition region. As output, MUC1 is connected to LTR and degraded via lysosome pathway selectively for cancer cell MCF‐7 with little side effect on normal cell MCF‐10A. The logic‐identification system also demonstrated satisfactory in vivo therapeutic results, indicating its promising potential in precise targeted therapy.
Multi‐Functional and Flexible Nano‐Silver@MXene Heterostructure‐Decorated Graphite Felt for Wearable Thermal Therapy
Authors: Xie Zuoxiang , Yao Lei , Fang Houzhi , Yang Zhi , Zhou Xuemei , Lin Lin , Xie Junwen , Zhang Yinhang
Published: March 2024

Wearable heaters with multifunctional performances are urgently required for the future personal health management. However, it is still challengeable to fabricate multifunctional wearable heaters simultaneously with flexibility, air‐permeability, Joule heating performance, electromagnetic shielding property, and anti‐bacterial ability. Herein, silver nanoparticles (AgNPs)@MXene heterostructure‐decorated graphite felts are fabricated by introducing MXene nanosheets onto the graphite felts via a simple dip‐coating method and followed by a facile in situ growth approach to grow AgNPs on MXene layers. The obtained AgNPs@MXene heterostructure decorated graphite felts not only maintain the intrinsic flexibility, air‐permeability and comfort characteristics of the matrixes, but also present excellent Joule heating performance including wide temperature range (30–128 °C), safe operating conditions (0.9–2.7 V), and rapid thermal response (reaching 128 °C within 100 s at 2.7 V). Besides, the multifunctional graphite felts exhibit excellent electromagnetic shielding effectiveness (53 dB) and outstanding anti‐bacterial performances (>95% anti‐bacterial rate toward Bacillus subtilis, Escherichia coli and Staphy‐lococcus aureus). This work sheds light on a novel avenue to fabricate multifunctional wearable heaters for personal healthcare and personal thermal management.
Tuning Local Atomic Structures in MoS2 Based Catalysts for Electrochemical Nitrate Reduction
Authors: Tian Xiaoyin , Zhang Jing , Rigby Kali , Rivera Daniel J. , Gao Guanhui , Liu Yifeng , Zhu Yifan , Zhai Tianshu , Stavitski Eli , Muhich Christopher , Kim Jae‐Hong , Li Qilin , Lou Jun
Published: March 2024

In recent years, there has been a substantial surge in the investigation of transition‐metal dichalcogenides such as MoS2 as a promising electrochemical catalyst. Inspired by denitrification enzymes such as nitrate reductase and nitrite reductase, the electrochemical nitrate reduction catalyzed by MoS2 with varying local atomic structures is reported. It is demonstrated that the hydrothermally synthesized MoS2 containing sulfur vacancies behaves as promising catalysts for electrochemical denitrification. With copper doping at less than 9% atomic ratio, the selectivity of denitrification to dinitrogen in the products can be effectively improved. X‐ray absorption characterizations suggest that two sulfur vacancies are associated with one copper dopant in the MoS2 skeleton. DFT calculation confirms that copper dopants replace three adjacent Mo atoms to form a trigonal defect‐enriched region, introducing an exposed Mo reaction center that coordinates with Cu atom to increase N2 selectivity. Apart from the higher activity and selectivity, the Cu‐doped MoS2 also demonstrates remarkably improved tolerance toward oxygen poisoning at high oxygen concentration. Finally, Cu‐doped MoS2 based catalysts exhibit very low specific energy consumption during the electrochemical denitrification process, paving the way for potential scale‐up operations.
Heterostructure Engineering of NiCo‐LDHs for Enhanced Energy Storage Performance in Aqueous Zinc‐Ion Batteries
Authors: Deng Xiaoyang , Zhang Pengfei , Wan Zihao , Ma Zizai , Wang Xiaoguang
Published: March 2024

Aqueous zinc‐ion batteries (AZIBs) are considered a promising device for next‐generation energy storage due to their high safety and low cost. However, developing high−performance cathodes that can be matched with zinc metal anodes remains a challenge in unlocking the full potential of AZIBs. In this study, a typical transition metal layered double hydroxides (NiCo−LDHs) can be in situ reconstructed to NiCo−LDHs/Ni(Co)OOH heterostructure using an electrochemical cycling activation (ECA) method, serving as a novel cathode material for AZIBs. The optimized ECA−NiCo−LDHs cathode demonstrates a high capacity of 181.5 mAh g−1 at 1 A g−1 and retains 75% of initial capacity after 700 cycles at 5 A g−1. The abundant heterointerfaces of the NiCo−LDHs/Ni(Co)OOH material can activate additional active sites for zinc‐ion storage and accelerate ion diffusion. Theoretical calculations also suggest the heterostructure can boost charge transfer and regulate ion−adsorption capability, thereby improving the electrochemical performance. Additionally, the flexible AZIBs device exhibits good service performance. This study on interface engineering introduces a new possibility for utilizing LDHs in AZIBs and offers a novel strategy for designing electrode materials.
Synthesis and Mechanism of 1D ZnO Based on Alkaline Dissolution‐Conversion Strategy of High Stable and Soluble ɛ‐Zn(OH)2
Authors: Lin Shuyu , Wu Zhi‐Hai , Yang Fan , Fu Jin , Yu Yang‐Xin , Wang Jing , Xiang Lan
Published: March 2024

A high soluble and stable ɛ‐Zn(OH)2 precursor is synthesized at below room temperature to efficiently prepare ZnO whiskers. The experimental results indicate that the formation of ZnO whiskers is carried out mainly via two steps: the formation of ZnO seeds from ɛ‐Zn(OH)2 via the in situ solid conversion, and the following growth of whiskers via dissolution‐precipitation route. The decrease of temperature from 25 to 5 °C promotes the formation of ɛ‐Zn(OH)2 with higher solubility and stability, which balances the conversion and dissolution rates of precursor. The Rietveld refinement, DFT calculations and MD simulations reveal that the primary reason for these characteristics is the expansion of ɛ‐Zn(OH)2 lattice due to temperature, causing difficulties in the dehydration of adjacent ─OH. Simultaneously, the larger specific surface area favors the dissolution of ɛ‐Zn(OH)2. Based on this precursor, well‐dispersed ZnO whiskers with 9.82 µm in length, 242.38 nm in diameter, and an average aspect ratio of 41 are successfully synthesized through a SDSN‐assisted hydrothermal process at 80 °C. The process has an extremely high solid content of 2.5% (mass ratio of ZnO to solution) and an overall yield of 92%, which offers a new approach for the scaled synthesis of high aspect ratio ZnO whiskers by liquid‐phase method.