bluuebunny/crossref_metadata_2025 huggingface dataset:
Antimicrobial Peptide Synergies for Fighting Infectious Diseases
Authors: Mhlongo Jessica T. , Waddad Ayman Y. , Albericio Fernando , de la Torre Beatriz G.
Published: July 2023

Antimicrobial peptides (AMPs) are essential elements of thehost defense system. Characterized by heterogenous structures and broad‐spectrumaction, they are promising candidates for combating multidrug resistance. Thecombined use of AMPs with other antimicrobial agents provides a new arsenal ofdrugs with synergistic action, thereby overcoming the drawback of monotherapiesduring infections. AMPs kill microbes via pore formation, thus inhibitingintracellular functions. This mechanism of action by AMPs is an advantage overantibiotics as it hinders the development of drug resistance. The synergisticeffect of AMPs will allow the repurposing of conventional antimicrobials andenhance their clinical outcomes, reduce toxicity, and, most significantly,prevent the development of resistance. In this review, various synergies ofAMPs with antimicrobials and miscellaneous agents are discussed. The effect ofstructural diversity and chemical modification on AMP properties is firstaddressed and then different combinations that can lead to synergistic action,whether this combination is between AMPs and antimicrobials, or AMPs andmiscellaneous compounds, are attended. This review can serve as guidance whenredesigning and repurposing the use of AMPs in combination with other antimicrobialagents for enhanced clinical outcomes.
Metal‐Driven Autoantifriction Function of Artificial Hip Joint
Authors: Deng Qiaoyuan , Feng Qingguo , Jing Peipei , Ma Donglin , Li Mengting , Gong Yanli , Li Yantao , Wen Feng , Leng Yongxiang
Published: July 2023

The service life of an artificial hip joint is limited to 10–15 years, which is not ideal for young patients. To extend the lifespan of these prostheses, the coefficient of friction and wear resistance of metallic femoral heads must be improved. In this study, a Cu‐doped titanium nitride (TiNX–Cu) film with “autoantifriction” properties is deposited on a CoCrMo alloy via magnetron sputtering. When delivered in a protein‐containing lubricating medium, the Cu in TiNX–Cu quickly and consistently binds to the protein molecules in the microenvironment, resulting in the formation of a stable protein layer. The proteins adsorbed on the TiNX–Cu surface decompose into hydrocarbon fragments owing to the shear stress between the Al2O3/TiNX–Cu tribopair. The synergistic effect of the catalysis of Cu and shear stress between the Al2O3/TiNX–Cu tribopair transforms these fragments into graphite‐like carbon tribofilms with an antifriction property. These tribofilms can simultaneously reduce the friction coefficient of the Al2O3/TiNX–Cu tribopair and enhance the wear resistance of the TiNX–Cu film. Based on these findings, it is believed that the autoantifriction film can drive the generation of antifriction tribofilms for lubricating and increasing the wear resistance of prosthetic devices, thereby prolonging their lifespan.
Eco‐Friendly Tetrahydropyran Enables Weakly Solvating “4S” Electrolytes for Lithium‐Metal Batteries
Authors: Liao Yaqi , Zhou Mengyuan , Yuan Lixia , Huang Kai , Wang Donghai , Han Yan , Meng Jintao , Zhang Yun , Li Zhen , Huang Yunhui
Published: July 2023

The growth of lithium dendrites hinders the commercial applications of lithium‐metal batteries. Electrolytes play a crucial role in influencing electrode/electrolyte interfacial chemistry. Traditional electrolytes adopt strongly solvating solvents to dissolve Li salts, creating an organic‐rich solid electrolyte interface (SEI). The Li+ conductivity and mechanical strength of the organic‐rich SEI are poor, so the derived SEI cannot effectively suppress the growth of Li dendrites. The weakly solvating electrolyte (WSE) system can realize an inorganic‐rich SEI, demonstrating improved compatibility with the Li metal. However, the design rules for the WSE are not clear. Here, four kinds of “4S” (single salt and single solvent) WSE are designed to investigate interface chemistry. The SEI thickness, pore volume, and porosity are revealed via a reactive force field. The results show the heterocyclic and symmetric tetrahydropyran has the most suitable solvating power and the best interfacial stability in the lithium‐metal battery system. This research provides a weakly solvating electrolyte design route for bridging the molecular thermodynamic and interfacial chemistry gap.
Characterization of an Aqueous Flow Battery Utilizing a Hydroxylated Tetracationic Viologen and a Simple Cationic Ferrocene Derivative
Authors: Caianiello Carlo , Arenas Luis F. , Turek Thomas , Wilhelm René
Published: July 2023

Herein, a new semi‐organic aqueous flow battery based on a hydroxylated tetracationic viologen, 1,1′‐bis(3‐((2‐hydroxyethyl)dimethylammonio)propyl)‐[4,4′‐bipyridine]‐1,1′‐diium tetrachloride ([(DMAE‐Pr)2‐Vi]Cl4), and the ferrocene derivative, (ferrocenylmethyl)trimethylammonium chloride (FcNCl), is demonstrated. Efficiency, accessible capacity, and capacity retention of the battery are investigated at two concentrations of the active redox species: 0.1 and 0.5 mol dm−3 in 1 mol dm−3 KCl near‐neutral electrolytes. The implementation of the ferrocene‐derivative posolyte decreases the capacity fade rate by a factor of ≈4 with respect to previous work using 4‐hydroxy‐2,2,6,6‐tetramethylpiperidin‐1‐oxyl (TEMPOL) as posolyte. Capacity loss is driven by crossover of the positive redox couple into the negolyte, in particular at high concentrations, indicating the need for more selective membranes and less permeable ferrocene derivatives. Discussions are supported by conductivity measurements, cell resistance, and postmortem analysis of the electrolytes using cyclic voltammetry and nuclear magnetic resonance (NMR) spectroscopy. The characterization of [(DMAE‐Pr)2‐Vi]Cl4 is expanded as a high‐energy negolyte and future scaleup requirements for aqueous organic flow batteries are informed.
A test of the (hu)MANid analytical program using a native American population
Authors: Karsten Jordan K. , Hintz Hayley J.
Published: July 2023

Objectives

Recently, Berg and Kenyhercz (2017) developed a free web‐based software package, (hu)MANid, that classifies mandibles by ancestry and sex based on either linear or mixture discriminant analysis of 11 osteometric and six morphoscopic variables. The metric and morphoscopic variables assessed using (hu)MANid have been determined to be highly replicable, however, few external validation studies have been conducted.

Materials and Methods

This article provides a test of the (hu)MANid analytical software using an independent sample (n = 52) of Native American mandibles from the Great Lakes region to investigate the accuracy of the program for identifying this important demographic group.

Results

When processed using linear discriminant analysis in (hu)MANid, 82.7% of the mandibles (43/52) were correctly classified as Native American. When processed using mixture discriminant analysis in (hu)MANid, 67.3% of the mandibles (35/52) were correctly classified as Native American. The difference in accuracy between the methods is not statistically significant.

Discussion

Our results suggest (hu)MANid is an accurate tool for anthropologists attempting to determine whether skeletal remains are Native American when establishing forensic significance, creating a biological profile, and conducting work associated with the federal Native American Graves Protection and Repatriation Act.
Electrospun biocompatible stent with antibacterial property from shape memory polyurethane/gallic acid
Authors: Zhou Yanyi , Zhou Dong , Gu Hao , Li Zhaolong , Qu Ruisheng , Liu Baokun , Wang Tingmei , Wang Qihua , Zhang Yaoming
Published: July 2023

The synthetic vascular graft infection (SVGI) could cause a high mortality rate, that developing antibacterial vascular stents to prevent SVGI is highly demanded. Herein, we integrated shape memory polyurethane (PU) and gallic acid (GA) to obtain a small caliber scaffold with sufficient mechanical support through electrostatic spinning technology. The formation of hydrogen bonds between GA and PU facilitates the enhancement of the mechanical properties of PU/GA. The biocompatibility and antibacterial properties of the scaffolds were confirmed by using human endothelial cells in in‐vitro experiments and by co‐culturing with bacteria that cause common post‐operative stent infections. The electrospun porous structure and the antimicrobial activity of GA allow PU/GA to exhibit a dose‐dependency of cell viability, hemolysis, and antibacterial, the adding amount of GA with 2% presented the optimal properties. The shape memory effects of PU with the suitable transition temperature enable the electrospun stent to be able to reduce the size for deployment and recovery of the fabricated shape in a gentle environment. This work provides an efficient method for fabricating PU‐based antibacterial scaffolds by electrospinning.
Relation of Intra‐Articular Mineralization to Knee Pain in Knee Osteoarthritis: A Longitudinal Analysis in the MOST Study
Authors: Liew Jean W. , Jarraya Mohamed , Guermazi Ali , Lynch John , Wang Na , Rabasa Gabriela , Jafarzadeh S. Reza , Nevitt Michael , Torner James , Lewis Cora E. , Felson David T. , Neogi Tuhina
Published: July 2023

Objective

Intra‐articular (IA) calcium crystal deposition is common in knee osteoarthritis (OA), but of unclear significance. It is possible that low‐grade, crystal‐related inflammation may contribute to knee pain. We examined the longitudinal relation of computed tomography (CT)–detected IA mineralization to the development of knee pain.

Methods

We used data from the National Institutes of Health–funded longitudinal Multicenter Osteoarthritis Study. Participants had knee radiographs and bilateral knee CTs at baseline, and pain assessments every 8 months for 2 years. CT images were scored using the Boston University Calcium Knee Score. We longitudinally examined the relation of CT‐detected IA mineralization to the risk of frequent knee pain (FKP), intermittent or constant knee pain worsening, and pain severity worsening using generalized linear mixed‐effects models.

Results

We included 2,093 participants (mean age 61 years, 57% women, mean body mass index 28.8 kg/m2). Overall, 10.2% of knees had IA mineralization. The presence of any IA mineralization in the cartilage was associated with 2.0 times higher odds of having FKP (95% confidence interval [CI] 1.38–2.78) and 1.86 times more frequent intermittent or constant pain (95% CI 1.20–2.78), with similar results seen for the presence of any IA mineralization in the meniscus or joint capsule. A higher burden of IA mineralization anywhere within the knee was associated with a higher odds of all pain outcomes (odds ratio ranged from 2.14 to 2.21).

Conclusion

CT‐detected IA mineralization was associated with risk of having more frequent, persistent, and worsening knee pain over 2 years. Targeting IA mineralization may have therapeutic potential for pain improvement in knee OA.
Machine Learning Pipeline for Predicting Bone Marrow Edema Along the Sacroiliac Joints on Magnetic Resonance Imaging
Authors: Roels Joris , De Craemer Ann‐Sophie , Renson Thomas , de Hooge Manouk , Gevaert Arne , Van Den Berghe Thomas , Jans Lennart , Herregods Nele , Carron Philippe , Van den Bosch Filip , Saeys Yvan , Elewaut Dirk
Published: July 2023

Objective

We aimed to develop and validate a fully automated machine learning (ML) algorithm that predicts bone marrow edema (BME) on a quadrant level in sacroiliac (SI) joint magnetic resonance imaging (MRI).

Methods

A computer vision workflow automatically locates the SI joints, segments regions of interest (ilium and sacrum), performs objective quadrant extraction, and predicts presence of BME, suggestive of inflammatory lesions, on a quadrant level in semicoronal slices of T1/T2‐weighted MRI scans. Ground truth was determined by consensus among human readers. The inflammation classifier was trained using a ResNet18 backbone and five‐fold cross‐validated on scans of patients with spondyloarthritis (SpA) (n = 279), postpartum individuals (n = 71), and healthy subjects (n = 114). Independent SpA patient MRI scans (n = 243) served as test data set. Patient‐level predictions were derived from aggregating quadrant‐level predictions, ie, at least one positive quadrant.

Results

The algorithm automatically detects the SI joints with a precision of 98.4% and segments ilium/sacrum with an intersection over union of 85.6% and 67.9%, respectively. The inflammation classifier performed well in cross‐validation: area under the curve (AUC) 94.5%, balanced accuracy (B‐ACC) 80.5%, and F1 score 64.1%. In the test data set, AUC was 88.2%, B‐ACC 72.1%, and F1 score 50.8%. On a patient level, the model achieved a B‐ACC of 81.6% and 81.4% in the cross‐validation and test data set, respectively.

Conclusion

We propose a fully automated ML pipeline that enables objective and standardized evaluation of BME along the SI joints on MRI. This method has the potential to screen large numbers of patients with (suspected) SpA and is a step closer towards artificial intelligence–assisted diagnosis and follow‐up.
Low‐cost Zinc‐Iron Flow Batteries for Long‐Term and Large‐Scale Energy Storage
Authors: Huang Haili , Zhu Ying , Chu FuJun , Wang Shaochong , Cheng YuanHui
Published: July 2023

Aqueous flow batteries are considered very suitable for large‐scale energy storage due to their high safety, long cycle life, and independent design of power and capacity. Especially, zinc‐iron flow batteries have significant advantages such as low price, non‐toxicity, and stability compared with other aqueous flow batteries. Significant technological progress has been made in zinc‐iron flow batteries in recent years. Numerous energy storage power stations have been built worldwide using zinc‐iron flow battery technology. This review first introduces the developing history. Then, we summarize the critical problems and the recent development of zinc‐iron flow batteries from electrode materials and structures, membranes manufacture, electrolyte modification, and stack and system application. Finally, we forecast the development direction of the zinc‐iron flow battery technology for large‐scale energy storage.
Heterogeneity of autism symptoms in community‐referred infants and toddlers at elevated or low familial likelihood of autism
Authors: Cohenour Torrey L. , Gulsrud Amanda , Kasari Connie
Published: July 2023

Evidence suggests autistic individuals at elevated familial likelihood of autism spectrum disorder (by virtue of having an autistic sibling) have stronger cognitive abilities on average than autistic individuals with no family history of the condition, who have a low familial likelihood of autism. Investigating phenotypic differences between community‐referred infants and toddlers with autism symptoms at elevated or low familial likelihood of autism may provide important insight into heterogeneity in the emerging autism phenotype. This study compared behavioral, cognitive, and language abilities of community‐referred infants and toddlers with confirmed autism symptoms at elevated (EL) or low familial likelihood of autism (LL). Participants were 121 children aged 12 to 36 months who participated in two larger randomized trials of parent‐mediated interventions for children with autism symptoms. Behavioral phenotypes were compared across three groups: children with at least one autistic sibling (EL‐Sibs, n = 30), those with at least one older, non‐autistic sibling and no family history of autism (LL‐Sibs, n = 40), and first‐born children with no family history of autism (LL‐FB, n = 51). EL‐Sibs had less severe autism symptoms and stronger cognitive abilities than children in LL groups. While the rate of receptive language delay was similar across groups, the rate of expressive language delay was markedly lower among EL‐Sibs. After controlling for age and nonverbal cognitive ability, EL‐Sibs were significantly less likely to present with expressive language delay than LL‐Sibs. Familial likelihood of autism may play an important role in shaping the emerging autism phenotype in infancy and toddlerhood.
Materialsparende Nagelbinder – Aspekte der Konstruktionsgeschichte von 1930 bis 1990
Authors: Engelmann Iris , Schwendner Sascha , Seim Werner
Published: July 2023

Materialsparende Holzkonstruktionen, die insbesondere während der Kriegs‐ und Nachkriegszeit im 20. Jahrhundert entwickelt und optimiert wurden, erlangen aktuell aus konstruktionshistorischer, aber auch aus ökonomischer Sicht erneut Interesse. Der vorliegende Beitrag gibt einen Überblick angefangen von den ersten Konstruktionen Ende der 1920er‐Jahre bis hin zu Typenbindern der DDR, die noch bis 1990 über Landwirtschaftsbauten errichtet wurden und heute oft als Tragkonstruktionen für Photovoltaikanlagen weiterverwendet werden. Der Fokus liegt auf der chronologischen Vorstellung ausgewählter Konstruktionsweisen für Hallen‐ und Hausdächer, unterschieden nach Fachwerk‐ und Vollwandbindern. Sowohl die verantwortlichen Ingenieure und deren Herkunft als auch wesentliche Anwendungsfelder und Beispielbauten kommen in der Überblicksdarstellung zur Sprache. Eine wesentliche Erkenntnis ist die im Betrachtungszeitraum 1930–1990 zu verzeichnende Reduzierung einer Vielzahl genagelter Spar‐ hin zu Typenkonstruktionen, die hauptsächlich äußerst materialeffiziente Fachwerkbinder für Satteldächer hervorbrachte.
How does green human resource management contribute to saving the environment? Evidence of emerging market manufacturing firms
Authors: Aftab Junaid , Veneziani Monica
Published: July 2023

The world is facing environmental challenges, and organizations must think outside the box to address these challenges. Despite the significant contribution of green human resource management (GHRM) to pro‐environmental behaviors (PBs) and environmental performance (EP), research analyzing underlying mechanisms and boundary conditions in these relationships is lacking in the context of the emerging market. Therefore, this study investigated the mediating effect of green commitment (GC) in the GRHM and PBs nexus. Additionally, environmental knowledge (EK) was explored as a boundary condition between PBs and EP. With 383 samples from manufacturing firm employees in Pakistan, this study employed the “structural equation modeling” [SEM] technique to analyze the data. Based on social cognitive theory, the SEM outcomes revealed that GHRM and PBs have a positive influence on EP. We also found that GHRM indirectly affects PBs via GC. Furthermore, the results demonstrated that EK strengthens the relationship between PBs and EP. Overall, this research contributes to and advances the existing literature by highlighting the pivotal role of GHRM and PBs in improving EP. Additionally, the mediation of GC and moderation of EK highlights the importance of these variables in environmental management. Specifically, this study suggests that GC is an underlying mechanism that connects GHRM to PBs, and employees' EK helps improve the relationship between their PBs and EP.
Amino acid balancing for the prediction and evaluation of protein concentrations in cell‐free protein synthesis systems
Authors: Rolf Jascha , Handke Julian , Burzinski Frank , Lütz Stephan , Rosenthal Katrin
Published: July 2023

Cell‐free protein synthesis (CFPS) systems are an attractive method to complement the usual cell‐based synthesis of proteins, especially for screening approaches. The literature describes a wide variety of CFPS systems, but their performance is difficult to compare since the reaction components are often used at different concentrations. Therefore, we have developed a calculation tool based on amino acid balancing to evaluate the performance of CFPS by determining the fractional yield as the ratio between theoretically achievable and experimentally achieved protein molar concentration. This tool was applied to a series of experiments from our lab and to various systems described in the literature to identify systems that synthesize proteins very efficiently and those that still have potential for higher yields. The well‐established Escherichia coli system showed a high efficiency in the utilization of amino acids, but interestingly, less considered systems, such as those based on Vibrio natriegens or Leishmania tarentolae, also showed exceptional fractional yields of over 70% and 90%, respectively, implying very efficient conversions of amino acids. The methods and tools described here can quickly identify when a system has reached its maximum or has limitations. We believe that this approach will facilitate the evaluation and optimization of existing CFPS systems and provides the basis for the systematic development of new CFPS systems.
Lung cancer risk score for ever and never smokers in China
Authors: Ma Zhimin , Lv Jun , Zhu Meng , Yu Canqing , Ma Hongxia , Jin Guangfu , Guo Yu , Bian Zheng , Yang Ling , Chen Yiping , Chen Zhengming , Hu Zhibin , Li Liming , Shen Hongbing
Published: July 2023

Background

Most lung cancer risk prediction models were developed in European and North‐American cohorts of smokers aged ≥ 55 years, while less is known about risk profiles in Asia, especially for never smokers or individuals aged < 50 years. Hence, we aimed to develop and validate a lung cancer risk estimate tool for ever and never smokers across a wide age range.

Methods

Based on the China Kadoorie Biobank cohort, we first systematically selected the predictors and explored the nonlinear association of predictors with lung cancer risk using restricted cubic splines. Then, we separately developed risk prediction models to construct a lung cancer risk score (LCRS) in 159,715 ever smokers and 336,526 never smokers. The LCRS was further validated in an independent cohort over a median follow‐up of 13.6 years, consisting of 14,153 never smokers and 5,890 ever smokers.

Results

A total of 13 and 9 routinely available predictors were identified for ever and never smokers, respectively. Of these predictors, cigarettes per day and quit years showed nonlinear associations with lung cancer risk (Pnon‐linear < 0.001). The curve of lung cancer incidence increased rapidly above 20 cigarettes per day and then was relatively flat until approximately 30 cigarettes per day. We also observed that lung cancer risk declined sharply within the first 5 years of quitting, and then continued to decrease but at a slower rate in the subsequent years. The 6‐year area under the receiver operating curve for the ever and never smokers’ models were respectively 0.778 and 0.733 in the derivation cohort, and 0.774 and 0.759 in the validation cohort. In the validation cohort, the 10‐year cumulative incidence of lung cancer was 0.39% and 2.57% for ever smokers with low (< 166.2) and intermediate‐high LCRS (≥ 166.2), respectively. Never smokers with a high LCRS (≥ 21.2) had a higher 10‐year cumulative incidence rate than those with a low LCRS (< 21.2; 1.05% vs. 0.22%). An online risk evaluation tool (LCKEY; http://ccra.njmu.edu.cn/lckey/web) was developed to facilitate the use of LCRS.

Conclusions

The LCRS can be an effective risk assessment tool designed for ever and never smokers aged 30 to 80 years.
Umbelliprenin induces autophagy and apoptosis while inhibits cancer cell stemness in pancreatic cancer cells
Authors: Wang Hongcheng , Liu Yongzhi , Wang Yiwei , Xu Ting , Xia Guanggai , Huang Xinyu
Published: July 2023

Background

Umbelliprenin is a sesquiterpene coumarin isolated from Artemisia absinthium L. and shows antitumor effects in various cancers by inducing apoptosis. However, the antitumor effect of umbelliprenin in human pancreatic cancer has not been clarified.

Methods

The antitumor effects were determined by MTT and AnnexinV/PI double staining assay in vitro and xenograft mice in vivo. Autophagy was determined via immunofluorescence analysis. Apoptotic or autophagic related proteins were measured by immunoblotting. The pancreatic cancer cell stemness were determined by mammosphere formation and ALDEFLUOR assay.

Results

It revealed that umbelliprenin inhibited pancreatic cancer cell proliferation in vitro and pancreatic cancer tumor growth in vivo. Moreover, umbelliprenin induced pancreatic cancer cell BxPC3 apoptosis and autophagy as evidenced by upregulated apoptosis and autophagy‐ related protein expression (p < 0.01). Blocking autophagy by 3‐MA or Atg7 knockout enhanced umbelliprenin‐induced apoptosis (p < 0.05). Umbelliprenin also reduced pancreatic cancer cell stemness by reducing Oct4, Nanog, and Sox2 mRNA levels (p < 0.01). Mechanistically, umbelliprenin greatly inhibited Akt/mTOR and Notch1 signal pathway.

Conclusion

Umbelliprenin may be a novel therapeutic approach for pancreatic cancer treatment.
Ceramic Membranes for Citrus Fruit Juice Clarification: A Systematic Review
Authors: Satyannarayana K.V.V. , Kumar R. Vinoth , Mathaji C. Bharath , Singh Randeep , Ahn Young‐Ho , Chen Shiao‐Shing
Published: July 2023

Membrane separation processes are becoming a significant part of fruit juice processing industries because of their excellent selectivity, absence of thermal and chemical treatments, and energy efficiency. Specifically, the applicability of ceramic membranes in citrus fruit juice clarification is more promising as they are highly stable in a corrosive environment and have a longer lifetime. However, ceramic membranes are costlier than polymeric membranes due to the high cost of raw materials. Therefore, numerous alternative low‐cost precursors for making the ceramic membrane are being utilized. Accordingly, the current review is focused on the different low‐cost raw materials and various fabrication methods to synthesize different ceramic membranes. Further, the ceramic membrane's application in fruit juice clarification is intensely discussed. In any membrane separation process, fouling is an unavoidable constraint. In the current review, various mechanisms involved in fouling are emphasized in detail. In addition, a variety of techniques to reduce fouling are extensively deliberated. Furthermore, ceramic membranes' challenges and future perspectives for further development are also systematically highlighted.
Emerging Clusteroluminescence from Complexes between Carbonyl‐Based Polymers and Organic Base†
Authors: Lu Hongwei , Xie Yuan , Zhang Ziteng , Zhang Zhiming , Sun Jing Zhi , Zhang Haoke , Tang Ben Zhong
Published: July 2023

Comprehensive Summary

The study of luminescence phenomena in non‐conjugated systems, namely clusteroluminescence, has gained significant attention for the development of advanced luminescent materials. While conventional strategies to manipulate the luminescent performances are based on complicated chemical reactions. In contrast, nature employs complexation to modulate luminescence, inspiring researchers to adopt an engineering approach for the construction of efficient clusteroluminogens. In this work, we explore the complexation‐ induced clusteroluminescence of carbonyl‐based polymers with nitrogen‐containing organic bases, exemplified by polyamide, polyester, polycarbonate, and poly(monothiocarbonate). The results demonstrate an increase in the intrinsic 440 nm emission of carbonyl groups and the emergence of new emission peaks upon complexation. The study proposes a through‐space n‧‧‧π complex mechanism, highlighting the potential of complexation as a strategy for modulating the clusteroluminescent properties of non‐conjugated systems. Further research is necessary to unravel underlying mechanisms, optimize cluster structures, and explore new materials for complexation, thereby advancing optoelectronics and photonics fields and enabling practical applications of clusteroluminescent materials.
Modeling essential hypertension with a closed‐loop mathematical model for the entire human circulation
Authors: Celant Morena , Toro Eleuterio F. , Bertaglia Giulia , Cozzio Susanna , Caleffi Valerio , Valiani Alessandro , Blanco Pablo J. , Müller Lucas O.
Published: July 2023

Arterial hypertension, defined as an increase in systemic arterial pressure, is a major risk factor for the development of diseases affecting the cardiovascular system. Every year, 9.4 million deaths worldwide are caused by complications arising from hypertension. Despite well‐established approaches to diagnosis and treatment, fewer than half of all hypertensive patients have adequately controlled blood pressure. In this scenario, computational models of hypertension can be a practical approach for better quantifying the role played by different components of the cardiovascular system in the determination of this condition. In the present work we adopt a global closed‐loop multi‐scale mathematical model for the entire human circulation to reproduce a hypertensive scenario. In particular, we modify the model to reproduce alterations in the cardiovascular system that are cause and/or consequence of the hypertensive state. The adaptation does not only affect large systemic arteries and the heart but also the microcirculation, the pulmonary circulation and the venous system. Model outputs for the hypertensive scenario are validated through assessment of computational results against current knowledge on the impact of hypertension on the cardiovascular system.
Enhancing Diradical Character of Chichibabin's Hydrocarbon through Fluoride Substitution
Authors: Kundu Gargi , Dash Soumya Ranjan , Kumar Ravi , Vanka Kumar , Ghosh Aryya , Sen Sakya S.
Published: July 2023

In this work, 5‐SIDipp [SIDipp=1,3‐bis(2,6‐diisopropylphenyl)‐imidazolin‐2‐ylidene] (1) derived Chichibabin's hydrocarbon with an octafluorobiphenylene spacer (3) has been reported. The addition of two equivalents of 5‐SIDipp with decafluorobiphenyl in presence of BF3 gives the double C−F bond activated imidazolium salt with two tetrafluoroborate anions, 2. Further reduction of 2 gives the fluorine substituted 5‐SIDipp based Chichibabin's hydrocarbon, 3. Quantum chemical calculations suggested a singlet state of 3 with a singlet–triplet energy gap (ΔES‐T) of 3.7 kcal mol−1, which is substantially lower with respect to the hydrogen substituted NHC‐based Chichibabin's hydrocarbons (10.7 kcal mol−1, B3LYP). As a result, the diradical character (y) of 3 (y=0.62) is also noticeably higher than the hydrogen substituted CHs (y=0.41–0.43). The ▵ES‐T was found to be higher in CASSCF (22.24 kcal mol−1) and CASPT2 (11.17 kcal mol−1) for 3 and the diradical character (d) is 44.6 %.
Magnetic regulation on evaporation behavior of ferrofluid sessile droplets
Authors: Wang Qi‐yue , Zhu Gui‐ping
Published: July 2023

Active magnetic regulation is an emerging subject due to the special and programmable wettability of the sessile ferrofluid droplet. The interaction between liquid and externally applied magnetic field gives rise to controllable spreading and thus evaporation. This work reports the experimental and numerical results of the natural evaporation of a ferrofluid droplet under the effect of a nonuniform magnetic field. The evaporation process of droplets is described into two stages in terms of the geometric distortion and the appearance of the deposition pattern. The presence of the magnetic field leads to a transition of droplet drying from the disk shape with a ring to multiple peaks. A numerical model is established to simulate the evaporation process of ferrofluid droplets with the arbitrary Lagrangian–Eulerian method for tracking droplet deformation. The increasing magnetic flux could effectively enlarge the contact radius and enhance the internal flow of the ferrofluid droplet, thus promoting the evaporation process. The numerical results are verified by comparing the droplet geometry deformation with the experimental results. In both the numerical and experimental investigations, the externally applied magnetic field shortens the process of ferrofluid droplet evaporation. The design and optimization of the magnetic field play an important role in regulating ferrofluid droplet evaporation, which in turn facilitates technological advances in industries such as evaporative cooling and inkjet printing.
The Perspective of Fuel Cell High‐Speed Powerboats
Authors: Boretti Alberto
Published: July 2023

This work compares different propulsion systems to propel a class‐1 power boat: a very large battery plus electric motor; a fuel tank, fuel cell, and small battery plus electric motor; a conventional fuel tank and internal combustion engine. A fuel tank and internal combustion engine propulsion system deliver the largest mechanical energy at the sterndrive per unit mass of the propulsion system at 4.30 MJ kg−1 of propulsion system with hydrocarbon fuels and 4.30 to 4.74 MJ kg−1 with hydrogen fuel. A fuel tank, fuel cell, battery, and electric motor propulsion system deliver the second‐best sterndrive mechanical energy density at 0.75 MJ kg−1 of the propulsion system. This is almost 2.5 times the value of the sterndrive mechanical energy density of a very large battery and electric motor propulsion system which is last at 0.30 MJ kg−1 of the propulsion system. Preferring electric propulsion to conventional mechanical propulsion, further optimization of the fuel tank, fuel cell, and the small battery may be carried out targeting the sought trade‐off between range and performance, short‐term and continuous.
Catalytic epoxidation of palm oleic acid by heterogeneous catalysts: Optimization and kinetic model
Authors: Azmi Intan Suhada , Azlee Nor Azleena Mohd , Jalil Mohd Jumain
Published: July 2023

Epoxidized vegetable oils can produce a natural‐based polymer product as chemical reaction intermediates, plasticisers, and stabilizers in polyvinyl chloride. This study aims to identify the effects of using different concentrations of hydrogen peroxide and the effect of different molar ratios of hydrogen peroxide on relative conversion to oxirane. Epoxidized palm oil was produced in situ using performic acid as epoxidation agents and titanium dioxide as a catalyst. The results indicated that a higher concentration of hydrogen peroxide at 50% concentration and the ratio of 2:1 of hydrogen peroxide to palm oil used in the in situ epoxidation of had provided a higher relative conversion to oxirane (50%) in reaction time (70 min). Fourier transformation infrared spectroscopy revealed the presence of an oxirane group at 1200 cm−1. Numerical kinetic modeling was developed with applied genetic algorithm optimization to find the process model that fit experimental data. Then, the kinetic rate, k parameters obtained k11 = 0.031 mol L−1 min−1, k12 = 3.159 mol L−1 min−1, k2 = 2.620 mol L−1 min−1 for epoxidation palm oil, and k3 = 1.19 × 10−5 mol L−1 min−1 in degradation process.
Strategic avoidance of food stimuli in patients with restrictive anorexia nervosa: An eye‐tracking evaluation
Authors: Meregalli Valentina , Tenconi Elena , Cardi Valentina , Bonifanti Antonio , Meneguzzo Paolo , Favaro Angela , Collantoni Enrico
Published: July 2023

Objective

A biased attentional processing of food stimuli may represent a disorder maintenance factor in patients with anorexia nervosa (AN). The present study aimed at investigating the temporal course of attentional deployment towards both high‐calorie and low‐calorie foods in patients with AN using eye‐tracking.

Method

Fifty‐two patients with restrictive AN and 54 healthy controls (HC) performed a dot‐probe task while their gaze was recorded with an eye‐tracking system. The direction bias (percentage of trials in which the gaze was directed towards the food at first fixation, 500, and 1500 ms), and the duration bias (percentage of time spent looking at the food) were extracted.

Results

Regarding the direction bias, a group by time interaction emerged (F = 3.29, p = 0.038): while in the control group the bias continued to increase over the course of the trial, patients with AN showed a reduction of the bias between the 500 and 1500 ms. No group differences were observed on the duration bias.

Conclusions

In advanced stages of attentional deployment patients with AN start to differ from HC by diverting their attention away from food stimuli, a strategic process that may contribute to food avoidance and calorie restriction.
Rethinking the pathway to sustainable fire retardants
Authors: Feng Jiabing , Liu Lei , Zhang Yan , Wang Qingsheng , Liang Hong , Wang Hao , Song Pingan
Published: July 2023

Flame retardants are currently used in a wide range of industry sectors for saving lives and property by mitigating fire hazards. The growing fire safety requirements for materials boost an escalating demand for consumption of fire retardants. This has significantly driven both the industry and scientific community to pursue sustainable fire retardants, but what makes a sustainable flame retardant? Here an overview of recent advances in sustainable flame retardants is offered, and their renewable raw materials, green synthesis and life cycle assessments are highlighted. A discussion on key challenges that hinder the innovation of fire retardants and design principles for creating truly sustainable yet cost‐effective fire retardants are also presented. This short work is expected to help drive the development of sustainable, cost‐effective fire retardants, and expedite the creation of a more sustainable and safer society.
The relation between epidermal growth factor receptor mutations profiles and smoking patterns in patients with lung adenocarcinoma: A cross‐sectional study
Authors: Parvar Seyedeh Yasamin , Rezvani Alireza , Ghaderpanah Rezvan , Hefzosseheh Mohammadhossein , Rafiei Shakila , Monabati Ahmad
Published: July 2023

Background

Non‐small cell lung cancer (NSCLC) accounts for 85% of lung cancer cases, with smoking being a critical risk factor. The identification of NSCLC patients harboring epidermal growth factor receptor (EGFR) mutations, sensitized to tyrosine kinase inhibitors, has revolutionized treatment plans, resulting in improved clinical responses and reduced chemotherapy toxicity. This study aimed to assess the relationship between EGFR mutations and smoking patterns in patients diagnosed with lung adenocarcinoma referred to major pathologic laboratories.

Methods

This cross‐sectional study included 217 NSCLC patients aged above 18 years. Molecular abnormalities of the EGFR gene were analyzed by polymerase chain reaction amplification of exons 18–21 accompanied by Sanger sequencing. Then, the data were analyzed using the SPSS 26 software. Logistic regression analysis, χ2 test, and Mann–Whitney U test were used to evaluate the relation between EGFR mutations and smoking patterns.

Results

EGFR mutations were identified in 25.3% of patients, predominantly involving deletion in exon 19 (61.8%). For most of the mutant EGFR patients, the majority were nonsmokers (81.8%), and 52.7% were female patients. Besides, the median duration of smoking was 26 years and the median frequency of smoking was 23 pack‐years in the mutant EGFR group, both of which were lower compared to the wild mutant group. Moreover, female gender, current, and heavy smoking were significantly correlated with EGFR mutations based on the univariate logistic regression analysis (p: 0.004, 0.005, and 0.001, respectively).

Conclusions

Female gender and nonsmoker status were strongly associated with positive EGFR mutations. While guidelines traditionally recommended EGFR testing primarily for female nonsmokers with advanced NSCLC, our study in line with the recently published evidence has shown a significant prevalence of positive EGFR mutations among male patients and smokers. Therefore, routine mutation testing is suggested for all NSCLC patients. Considering the limited access to EGFR testing laboratories in developing countries, the results of such epidemiological surveys can assist oncologists in choosing the most suitable treatment plan.
Antioxidant dihydrolipolic acid protects against in vitro aluminum‐induced toxicity
Authors: Sanajou Sonia , Yirün Anil , Demirel Göksun , Çakir Deniz Arca , Şahin Gönül , Erkekoğlu Pinar , Baydar Terken
Published: July 2023

Dihydrolipoic acid (DHLA) is a natural antioxidant known for its ability to counteract metal toxicity and oxidative stress. It has shown the potential to safeguard cells from harmful environmental substances. It may hold therapeutic benefits in treating neurodegenerative disorders by defending against oxidative damage and chronic inflammation. Thus, this study aimed to explore the potential neuroprotective effects of DHLA against aluminum (Al)‐induced toxicity using an Alzheimer's disease (AD) model in vitro. The study focused on two important pathways: GSK‐3β and the Wnt signaling pathways. The SH‐SY5Y cell line was differentiated to establish AD, and the study group were as follows: control, Al, DHLA, Al‐DHLA, AD, AD‐Al, AD‐DHLA, and AD‐Al‐DHLA. The impact of DHLA on parameters related to oxidative stress was assessed. The activity of the GSK‐3β pathway was measured by evaluating the levels of PPP1CA, PP2A, GSK‐3β, and Akt. The Wnt signaling pathway was assessed by measuring Wnt/β‐catenin in the different study groups. Exposure to DHLA significantly reduced oxidative stress by effectively decreasing the levels of reactive oxygen species, thereby protecting against protein oxidation and limiting the production of malonaldehyde. Moreover, the DHLA‐treated groups exhibited a remarkable increase in the total antioxidant capacity. Furthermore, the study observed an upregulation of the Wnt signaling pathway and a downregulation of the GSK‐3β pathway in the groups treated with DHLA. In summary, the neuroprotective effects of DHLA, primarily achieved by reducing oxidative stress and modulating critical imbalanced pathways associated with AD, indicate its potential as a promising addition to the treatment regimens of AD patients.
Effect of Angiotensin‐Converting Enzyme Inhibitors/Angiotensin Receptor Blockers on In‐Hospital Outcomes Based on Renal Function Among Critically Ill Patients: Findings From the Medical Information Mart for Intensive Care IV Database
Authors: Zhang Chong , Hou Tian‐Hua , Wang Fei , Hao Cui‐Jun , Ning Meng , Shen He‐Chen , Chen Yi , Liu Ying‐Wu
Published: July 2023

Renal dysfunction is associated with increased mortality and length of hospital stay in critically ill patients. However, it remains unclear whether the early administration of an angiotensin‐converting enzyme inhibitor (ACEI)/angiotensin receptor blocker (ARB) for intensive care unit patients with renal dysfunction is associated with reduced in‐hospital mortality. We conducted a retrospective analysis of critically ill patients who received early administration of an ACEI/ARB within 72 hours after being hospitalized. Patients were selected from the Medical Information Mart for Intensive Care IV database. We included 18,986 critically ill patients in our analysis. After propensity score matching, our final study cohort of 4974 patients consisted of patients who received early administration of an ACEI/ARB (n = 2487) and nonusers (n = 2487). Results of logistic regression showed that early administration of an ACEI/ARB was associated with reduced risk of in‐hospital mortality (odds ratio, 0.64; 95% confidence interval, 0.53–0.77; P < .001) and intensive care unit death (odds ratio, 0.56; 95% confidence interval, 0.45–0.70; P < .001) when compared to nonusers. There was no meaningful interaction for early administration of an ACEI/ARB versus nonusers across estimated glomerular filtration rate in outcomes. Sensitivity analysis showed there was no difference in the outcomes between early administration of ACEI and that of ARB. In this study, we found that early administration of an ACEI/ARB was associated with a reduced risk of in‐hospital adverse outcomes based on renal function among critically ill patients. There was no interaction between early administration of an ACEI/ARB and in‐hospital adverse outcomes across estimated glomerular filtration rate.
Evaluation of video teaching on resident competency for all‐ceramic crown tooth preparation
Authors: Khudid Abdulsalam Rashid , Ibrahim Rawa Omar , Talabani Ranjdar Mahmood , Dawood Shilan Nawzad
Published: July 2023

Purpose

This study aimed to analyze the impact of live video instruction using digital evaluation of residents’ performance in full ceramic crown preparation.

Methods

Digital evaluation using CEREC computer‐aided design/computer‐assisted manufacturing (CAD/CAM) 5.1.3 software was conducted of preparation on a typodont for all‐ceramic crowns of mandibular first molars (MFMs) with a radial shoulder finish line, carried out by 30 residents. Each participant prepared two MFMs: group A prepared the right side without live video instruction, and group B prepared the left side after instruction. All prepared teeth were scanned by Dentsply Sirona chairside CAD/CAM system with Omnicom to assess the inter‐occlusal space, undercut, the finish line of the preparation, and surface texture. The data were analyzed using Pearson Chi‐square, Wilcoxon signed‐rank test, and paired t‐test. P‐values less than 0.05 were considered to be statistically significant in all tests.

Results

Based on the Pearson Chi‐square test, there were significant differences between the two groups in terms of inter‐occlusal space on the buccal and lingual surface of the prepared tooth, in the presence of rough surfaces before and after the preparation, and difference in the type of finish line. The Wilcoxon signed‐rank test revealed a significant difference in convergence angle buccolingually and the remaining height of the prepared teeth before and after the video instruction.

Conclusions

The use of educational live video instruction can be helpful to residents in learning the principles of tooth preparation.
A survey of white spot lesion prevention and resolution in the US dental school curricula
Authors: Chauncey Robert T. , Yu Qingzhao , Armbruster Paul C. , Ballard Richard W.
Published: July 2023

Purpose/objectives

White spot lesions (WSLs) are opaque white lesions on smooth tooth surfaces as a result of demineralization. Proven methods of prevention and resolution of these lesions are available yet the incidence rate, especially in orthodontic patients, is still high. Perhaps the way dental schools are educating students on the topic is insufficient. The purpose of this study was to determine if and how predoctoral dental students are taught about the prevention and resolution of WSLs.

Methods

An electronic survey was developed and sent out to each of the 66 accredited dental schools in the United States and Puerto Rico. The survey consisted of 13 questions and inquired about whether the school includes instruction of WSLs in its predoctoral curriculum. If the school indicated instruction WSLs was in the predoctoral curriculum, further questions were asked pertaining to the content and method of the instruction. Demographic data was also gathered from each institution.

Results

Twenty‐eight of the 66 schools responded for a 42% response rate. Eighty‐two percent of schools indicated they were teaching about prevention of WSLs, while 50% indicated they were teaching about resolution, or treatment, of WSLs. The most commonly taught methods were patient education, over‐the‐counter fluoride mouthrinse, toothpaste, or gel, and high fluoride content toothpaste.

Conclusion

The majority of responding dental schools are at least including some instruction of WSLs in the predoctoral curriculum. Many of the known prevention and treatment measures available, however, are not routinely taught.