bluuebunny/crossref_metadata_2025 huggingface dataset:
A modified white shark optimizer for optimal power flow considering uncertainty of renewable energy sources
Authors: Farhat Mohamed , Kamel Salah , Elseify Mohamed A. , Abdelaziz Almoataz Y.
Published: February 2024

This paper presents a novel approach to solve the optimal power flow (OPF) problem by utilizing a modified white shark optimization (MWSO) algorithm. The MWSO algorithm incorporates the Gaussian barebones (GB) and quasi-oppositional-based learning (QOBL) strategies to improve the convergence rate and accuracy of the original WSO algorithm. To address the uncertainty associated with renewable energy sources, the IEEE 30 bus system, which consists of 30 buses, 6 thermal generators, and 41 branches, is modified by replacing three thermal generators with two wind generators and one solar PV generator. And the IEEE 57-bus system, which consists of 57 buses, 7 thermal generators, and 80 branches, is also modified by the same concept. The variability of wind and solar generation is described using the Weibull and lognormal distributions, and its impact on the OPF problem is considered by incorporating reserve and penalty costs for overestimation and underestimation of power output. The paper also takes into account the unpredictability of power consumption (load demand) by analyzing its influence using standard probability density functions (PDF). Furthermore, practical conditions related to the thermal generators, such as ramp rate limits are examined. The MWSO algorithm is evaluated and analyzed using 23 standard benchmark functions, and a comparative study is conducted against six well-known techniques using various statistical parameters. The results and statistical analysis demonstrate the superiority and effectiveness of the MWSO algorithm compared to the original WSO algorithm for addressing the OPF problem in the presence of generation and demand uncertainties.
Fabrication of composite transparent conductive electrodes based on silver nanowires
Authors: Elsokary Amal , Soliman Moataz , Abulfotuh Fuad , Ebrahim Shaker , Sadat-Shafai Torfeh , Karim Marwa
Published: February 2024

Composite transparent conductive electrodes (C-TCEs) have recently been produced using low-cost techniques to keep up with the boom in the fabrication and development of optoelectronic devices. In this article, silver nanowires (AgNWs) were successfully synthesized by a simple hydrothermal method using different molecular weights MWs of poly (N-vinylpyrrolidone) (PVP). Graphene oxide (GO) was prepared using the modified Hummers’ method and a reduction step was held on GO films to produce reduced GO (rGO). C-TCEs were fabricated by over-coating the AgNWs electrodes with rGO, or poly(3,4-ethylenedioxythiophene) polystyrene sulfonate to improve the roughness, surface energy, and sheet resistance. The influence of using lower and higher MWs of PVP on the yield, shape, and size of AgNWs was investigated. The results showed that using lower MW of PVP had a great effect on the yield, morphology, and aspect ratio of AgNWs with diameter of 46 nm and average length 12 µm. The optical, morphological, topographical, and electrical properties of TCEs were studied. AgNWs/rGO composite electrode provided the lowest surface roughness and surface energy of 250 nm and 47.95 mN/m, respectively, with a relatively high transparency of 78.2% at 550 nm light wavelength, and a low sheet resistance of 27 Ω/□.
Machine learning-assisted high-content imaging analysis of 3D MCF7 microtissues for estrogenic effect prediction
Authors: Li Hui , Seada Haitham , Madnick Samantha , Zhao He , Chen Zhaozeng , Li Fengcheng , Zhu Feng , Hall Susan , Boekelheide Kim
Published: February 2024

Endocrine-disrupting chemicals (EDCs) pose a significant threat to human well-being and the ecosystem. However, in managing the many thousands of uncharacterized chemical entities, the high-throughput screening of EDCs using relevant biological endpoints remains challenging. Three-dimensional (3D) culture technology enables the development of more physiologically relevant systems in more realistic biochemical microenvironments. The high-content and quantitative imaging techniques enable quantifying endpoints associated with cell morphology, cell–cell interaction, and microtissue organization. In the present study, 3D microtissues formed by MCF-7 breast cancer cells were exposed to the model EDCs estradiol (E2) and propyl pyrazole triol (PPT). A 3D imaging and image analysis pipeline was established to extract quantitative image features from estrogen-exposed microtissues. Moreover, a machine-learning classification model was built using estrogenic-associated differential imaging features. Based on 140 common differential image features found between the E2 and PPT group, the classification model predicted E2 and PPT exposure with AUC-ROC at 0.9528 and 0.9513, respectively. Deep learning-assisted analysis software was developed to characterize microtissue gland lumen formation. The fully automated tool can accurately characterize the number of identified lumens and the total luminal volume of each microtissue. Overall, the current study established an integrated approach by combining non-supervised image feature profiling and supervised luminal volume characterization, which reflected the complexity of functional ER signaling and highlighted a promising conceptual framework for estrogenic EDC risk assessment.
Strip-loaded Mach–Zehnder interferometer for absolute refractive index sensing
Authors: Doughan Isaac , Oyemakinwa Kehinde , Ovaskainen Olli , Roussey Matthieu
Published: February 2024

This paper presents the design, fabrication, and characterization of a Mach–Zehnder interferometer (MZI) on a strip-loaded platform specifically developed for the measurement of refractive index variations in liquids. A novel approach of large opening in the sensing region enhances the sensitivity by using the analyte as the loading strip. This allows surpassing the performances of the conventional perforations and trenched-based MZIs and prevent protecting the reference arm. The implementation of this design resulted in a high confinement factor of approximately 23$$\%$$
%
in the cladding, enabling an effective interaction between the evanescent field and analyte. Ethanol-water solutions with varying concentrations were used as analyte for the characterization of the device. The strip-loaded waveguide was a 200 nm TiO$$_2$$

2

thin film on a silicon dioxide wafer and a 1.2 $$\upmu $$
μ
m wide for 800 nm-thick nLOF resist served as loading strip. The sensing area featured a 10 $$\upmu $$
μ
m wide open-ing in the loading material with a sensing length of 5 mm. The homogeneous sensitivity was experimentally determined to be 0.128, demonstrating the effectiveness of the proposed design, which enabled a refractive index change monitoring of 10$$^{-6}$$

-
6

.
Exploring the association between rosacea and acne by integrated bioinformatics analysis
Authors: Liang Jingchen , Chen Ying , Wang Zihao , Wang Yawen , Mu Shengzhi , Zhang Dewu , Wang Zhao , Zeng Weihui
Published: February 2024

Clinically, rosacea occurs frequently in acne patients, which hints the existence of shared signals. However, the connection between the pathophysiology of rosacea and acne are not yet fully understood. This study aims to unveil molecular mechanism in the pathogenesis of rosacea and acne. We identified differentially expressed genes (DEGs) by limma and weighted gene co-expression network analysis and screened hub genes by constructing a protein–protein interaction network. The hub genes were verified in different datasets. Then, we performed a correlation analysis between the hub genes and the pathways. Finally, we predicted and verified transcription factors of hub genes, performed the immune cell infiltration analysis using CIBERSORT, and calculated the correlation between hub genes and immune cells. A total of 169 common DEGs were identified, which were mainly enriched in immune-related pathways. Finally, hub genes were identified as IL1B, PTPRC, CXCL8, MMP9, CCL4, CXCL10, CD163, CCR5, CXCR4, and TLR8. 9 transcription factors that regulated the expression of hub genes were identified. The infiltration of γδT cells was significantly increased in rosacea and acne lesions and positively linked with almost all hub genes. These identified hub genes and immune cells may play a crucial role in the development of rosacea and acne.
Concentration of novel urinary tract infection biomarkers in neonates
Authors: Jebbia Maria , Gupta Sudipti , Klamer Brett G. , Pavlek Leeann , Ching Christina B. , Mohamed Tahagod H. , Becknell Brian
Published: February 2024

Urinary tract infections (UTIs) are a common comorbidity in hospitalized neonates. The current UTI diagnostics have several limitations including invasive collection of urinary samples to ensure sterility, risk of contamination and lack of consensus definitions of UTI based on urine culture. Antimicrobial peptides (AMPs) have been recently utilized as novel biomarkers that can efficiently and accurately diagnose pediatric UTI. However, the concentration of AMPs in neonatal urine is not well-defined. Urine from neonates admitted to a single level IV neonatal intensive care unit was obtained to determine baseline concentration of two AMPs, Ribonuclease 7 (RNase 7) and Beta Defensin-1 (BD-1) and to define the relationship between AMP concentration and gestational age (GA). AMP levels were normalized to urine creatinine. RNase 7 and BD-1 were expressed in neonatal urine (n = 66) regardless of GA and as early as 22 weeks gestation. Urinary concentrations of both AMPs decreased as GA and birthweight increased. The overall median urinary RNase 7/UCr and BD-1/UCr values were 271 ng/mg, and 116 ng/mg, respectively. Median urinary concentrations of RNase 7/UCr for infants born at < 27, 27–32, 33–35 and ≥ 36 weeks were 569, 308, 254, and 124 ng/mg respectively. Similarly, the concentrations of BD-1/UCr at these GA were 166, 115, 108, and 14 ng/mg, respectively. Baseline neonatal urinary concentration of two AMPs (RNase 7 and BD-1) and the variation by GA were identified. This is an essential first step toward the potential utilization of AMPs in improving neonatal UTI diagnostics.
Clinical effectiveness of orange peel polymethoxy-flavonoids rich fraction as a palatal dressing material compared to Alveogyl: randomized clinical trial
Authors: Alghriany Alzahraa A. , Ali Ahmed U. , Khallaf Iman S. A. , Hassan Abeer S. , Sayed Marwa A. , Fikry Ahmed Mortada
Published: February 2024

This study assessed the clinical effectiveness of orange peel polymethoxy-flavonoids rich fraction (OPMF) solid dispersion as a palatal dressing material, compared with Alveogyl, in a randomized clinical trial. After harvesting free gingival grafts for 18 patients in three groups, the donor site in group I received OPMF; group II received Alveogyl; and group III received placebo dough material. The visual analog scale (VAS) pain score in group I showed the lowest value in week one without a significant difference. In week 2, there was a substantial decrease in pain in group I compared to group III. Week 4 showed reduced pain scores in all groups without significant differences. The results of the number of analgesic pills revealed, after 1 week, the lowest number of pills consumed in group I, with a considerable difference compared to group III. Healing process results showed that group I had the highest healing values in each interval, with a significant difference between group I and group III at 1 and 2 weeks. Color matching parameter showed slight differences between the groups’ readings in favor of group I in all intervals without a statistically significant difference. The results suggest OPMF as a palatal dressing material that facilitates hemostasis, pain relief, and palatal wound healing.
Rebaudioside D decreases adiposity and hepatic lipid accumulation in a mouse model of obesity
Authors: Morissette Arianne , de Wouters d’Oplinter Alice , Andre Diana Majolli , Lavoie Marilou , Marcotte Bruno , Varin Thibault V. , Trottier Jocelyn , Pilon Geneviève , Pelletier Martin , Cani Patrice D. , Barbier Olivier , Houde Vanessa P. , Marette André
Published: February 2024

Overconsumption of added sugars has been pointed out as a major culprit in the increasing rates of obesity worldwide, contributing to the rising popularity of non-caloric sweeteners. In order to satisfy the growing demand, industrial efforts have been made to purify the sweet-tasting molecules found in the natural sweetener stevia, which are characterized by a sweet taste free of unpleasant aftertaste. Although the use of artificial sweeteners has raised many concerns regarding metabolic health, the impact of purified stevia components on the latter remains poorly studied. The objective of this project was to evaluate the impact of two purified sweet-tasting components of stevia, rebaudioside A and D (RebA and RebD), on the development of obesity, insulin resistance, hepatic health, bile acid profile, and gut microbiota in a mouse model of diet-induced obesity. Male C57BL/6 J mice were fed an obesogenic high-fat/high-sucrose (HFHS) diet and orally treated with 50 mg/kg of RebA, RebD or vehicle (water) for 12 weeks. An additional group of chow-fed mice treated with the vehicle was included as a healthy reference. At weeks 10 and 12, insulin and oral glucose tolerance tests were performed. Liver lipids content was analyzed. Whole-genome shotgun sequencing was performed to profile the gut microbiota. Bile acids were measured in the feces, plasma, and liver. Liver lipid content and gene expression were analyzed. As compared to the HFHS-vehicle treatment group, mice administered RebD showed a reduced weight gain, as evidenced by decreased visceral adipose tissue weight. Liver triglycerides and cholesterol from RebD-treated mice were lower and lipid peroxidation was decreased. Interestingly, administration of RebD was associated with a significant enrichment of Faecalibaculum rodentium in the gut microbiota and an increased secondary bile acid metabolism. Moreover, RebD decreased the level of lipopolysaccharide-binding protein (LBP). Neither RebA nor RebD treatments were found to impact glucose homeostasis. The daily consumption of two stevia components has no detrimental effects on metabolic health. In contrast, RebD treatment was found to reduce adiposity, alleviate hepatic steatosis and lipid peroxidation, and decrease LBP, a marker of metabolic endotoxemia in a mouse model of diet-induced obesity.
Association between HDL levels and stroke outcomes in the Arab population
Authors: Ali Aizaz , Obaid Omar , Akhtar Naveed , Rao Rahul , Tora Syed Haroon , Shuaib Ashfaq
Published: February 2024

Low HDL levels are associated with an increased stroke incidence and worsened long-term outcomes. The aim of this study was to assess the relationship between HDL levels and long-term stroke outcomes in the Arab population. Patients admitted to the Qatar Stroke Database between 2014 and 2022 were included in the study and stratified into sex-specific HDL quartiles. Long-term outcomes included 90-Day modified Rankin Score (mRS), stroke recurrence, and post-stroke cardiovascular complications within 1 year of discharge. Multivariate binary logistic regression analyses were performed to identify the independent effect of HDL levels on short- and long-term outcomes. On multivariate binary logistic regression analyses, 1-year stroke recurrence was 2.24 times higher (p = 0.034) and MACE was 1.99 times higher (p = 0.009) in the low-HDL compared to the high-HDL group. Mortality at 1 year was 2.27-fold in the low-normal HDL group compared to the reference group (p = 0.049). Lower sex-specific HDL levels were independently associated with higher adjusted odds of 1-year post-stroke mortality, stroke recurrence, and MACE (p < 0.05). In patients who suffer a stroke, low HDL levels are associated with a higher risk of subsequent vascular complication.
Stability analysis of loess fill slope supported by frame prestressed anchors considering tensile strength cut-off
Authors: Zhao Zhuangfu , Zhu Yanpeng , Hou Hongjie , Li Lian
Published: February 2024

In the stability analysis of loess fill slope, the fissure nature of loess is often ignored, which makes the stability calculation of fill slope too conservative. Based on the upper limit theory of plastic limit analysis, the stability analysis model of loess-filled fissured slope supported by frame prestressed anchors was established. Considering the tensile strength cut-off yield property of soil, the stability coefficient of slope was calculated, and the influence of different factors on slope stability was analyzed. The results show that ignoring the fissures in loess will overestimate the stability of the fill slope, and the support structure can significantly improve the stability of the loess-filled fissure slope. The research results of this paper can further enrich the stability analysis theory of loess-filled fissured slope supported by frame prestressed anchors, which is of great significance to guide engineering practice.
Innovative high fat diet establishes a novel zebrafish model for the study of visceral obesity
Authors: Smolińska Katarzyna , Sobczyński Jan , Szopa Aleksandra , Wnorowski Artur , Tomaszewska Ewa , Muszyński Siemowit , Winiarska-Mieczan Anna , Czernecki Tomasz , Bielak Agata , Dobrowolska Katarzyna , Smoliński Kacper , Klebaniuk Renata , Dobrowolski Piotr
Published: February 2024

Obesity is a complex chronic condition associated with multiple health risks, including visceral obesity, which is particularly detrimental. To gain insight into the mechanisms underlying obesity and its associated pathologies, a novel zebrafish model was established using an innovative high-fat diet (HFD). The primary goal was to induce visceral obesity in zebrafish and study the associated structural changes. To achieve this, a unique HFD consisting of 40% beef fat (HFD40) was developed and supplemented with magnesium aluminometasilicate to improve stability in a high humidity environment. Feeding regimens were initiated for both juvenile (starting at 2 weeks post-fertilization, lasting 18 weeks) and adult zebrafish (3 months post-fertilization, 8 weeks feeding duration). The innovative dietary approach successfully induced visceral obesity in both juvenile and adult zebrafish. This new model provides a valuable tool to study obesity-related pathologies, metabolic syndrome, and potential therapeutic interventions. Most importantly, the low-cost and easy-to-prepare composition of HFD40 was seamlessly incorporated into the water without the need for separation, was readily absorbed by the fish and induced rapid weight gain in the zebrafish population. In conclusion, this study presents a novel HFD40 composition enriched with a high beef fat concentration (40%), which represents a significant advance in the development of an experimental zebrafish model for the study of visceral obesity and associated metabolic changes.
Heterogeneity of influenza infection at precise scale in Yinchuan, Northwest China, 2012–2022: evidence from Joinpoint regression and spatiotemporal analysis
Authors: Zhang Lu , Li Yan , Ma Ning , Zhao Yi , Zhao Yu
Published: February 2024

Identifying high-risk regions and turning points of influenza with a precise spatiotemporal scale may provide effective prevention strategies. In this study, epidemiological characteristics and spatiotemporal clustering analysis at the township level were performed. A descriptive study and a Joinpoint regression analysis were used to explore the epidemiological characteristics and the time trend of influenza. Spatiotemporal autocorrelation and clustering analyses were carried out to explore the spatiotemporal distribution characteristics and aggregation. Furthermore, the hotspot regions were analyzed by spatiotemporal scan analysis. A total of 4025 influenza cases were reported in Yinchuan showing an overall increasing trend. The tendency of influenza in Yinchuan consisted of three stages: increased from 2012 to the first peak in 2019 (32.62/100,000) with a slight decrease in 2016; during 2019 and 2020, the trend was downwards; then it increased sharply again and reached another peak in 2022. The Joinpoint regression analysis found that there were three turning points from January 2012 to December 2022, namely January 2020, April 2020, and February 2022. The children under ten displayed an upward trend and were statistically significant. The trend surface analysis indicated that there was a shifting trend from northern to central and southern. A significant positive spatial auto-correlation was observed at the township level and four high-incidence clusters of influenza were detected. These results suggested that children under 10 years old deserve more attention and the spatiotemporal distribution of high-risk regions of influenza in Yinchuan varies every year at the township level. Thus, more monitoring and resource allocation should be prone to the four high-incidence clusters, which may benefit the public health authorities to carry out the vaccination and health promotion timely.
Maturation-dependent changes in the size, structure and seeding capacity of Aβ42 amyloid fibrils
Authors: Miller Alyssa , Chia Sean , Klimont Ewa , Knowles Tuomas P. J. , Vendruscolo Michele , Ruggeri Francesco Simone
Published: February 2024

Many proteins self-assemble to form amyloid fibrils, which are highly organized structures stabilized by a characteristic cross-β network of hydrogen bonds. This process underlies a variety of human diseases and can be exploited to develop versatile functional biomaterials. Thus, protein self-assembly has been widely studied to shed light on the properties of fibrils and their intermediates. A still open question in the field concerns the microscopic processes that underlie the long-time behaviour and properties of amyloid fibrillar assemblies. Here, we use atomic force microscopy with angstrom-sensitivity to observe that amyloid fibrils undergo a maturation process, associated with an increase in both fibril length and thickness, leading to a decrease of their density, and to a change in their cross-β sheet content. These changes affect the ability of the fibrils to catalyse the formation of new aggregates. The identification of these changes helps us understand the fibril maturation processes, facilitate the targeting of amyloid fibrils in drug discovery, and offer insight into the development of biocompatible and sustainable protein-based materials.
Leveraging large language models for predictive chemistry
Authors: Jablonka Kevin Maik , Schwaller Philippe , Ortega-Guerrero Andres , Smit Berend
Published: February 2024

Machine learning has transformed many fields and has recently found applications in chemistry and materials science. The small datasets commonly found in chemistry sparked the development of sophisticated machine learning approaches that incorporate chemical knowledge for each application and, therefore, require specialized expertise to develop. Here we show that GPT-3, a large language model trained on vast amounts of text extracted from the Internet, can easily be adapted to solve various tasks in chemistry and materials science by fine-tuning it to answer chemical questions in natural language with the correct answer. We compared this approach with dedicated machine learning models for many applications spanning the properties of molecules and materials to the yield of chemical reactions. Surprisingly, our fine-tuned version of GPT-3 can perform comparably to or even outperform conventional machine learning techniques, in particular in the low-data limit. In addition, we can perform inverse design by simply inverting the questions. The ease of use and high performance, especially for small datasets, can impact the fundamental approach to using machine learning in the chemical and material sciences. In addition to a literature search, querying a pre-trained large language model might become a routine way to bootstrap a project by leveraging the collective knowledge encoded in these foundation models, or to provide a baseline for predictive tasks.
Unravelling the origin of the atmospheric moisture deficit that leads to droughts
Authors: Gimeno-Sotelo Luis , Sorí Rogert , Nieto Raquel , Vicente-Serrano Sergio M. , Gimeno Luis
Published: February 2024

Drought is one of the most catastrophic natural hazards, and precipitation plays a major role in the development and intensification of drought events. The amount of precipitation resulting from humidity transported from a given moisture source can be key in revealing the origin of the atmospheric moisture deficit underlying drought occurrence. Here this study demonstrates, for the first time, the predominant role of moisture transport deficit in drought genesis. In most land areas, the estimated conditional probability of drought given an equivalent moisture deficit received either from the ocean or from the continents is higher than 10%. This probability is over 15% in the regions where the main atmospheric moisture transport mechanisms are active and over 20% in some hotspot regions, such as central-east North America, south-east South America and east Europe, where lower incoming moisture is almost synonymous with drought occurrence. Our results indicated that the contribution deficit of the dominant moisture source to the precipitation of a region could improve the predictability of droughts, with enormous hydrological, socioeconomic and environmental implications.
The vaccinia chondroitin sulfate binding protein drives host membrane curvature to facilitate fusion
Authors: Pokorny Laura , Burden Jemima J , Albrecht David , Bamford Rebecca , Leigh Kendra E , Sridhar Pooja , Knowles Timothy J , Modis Yorgo , Mercer Jason
Published: February 2024

Cellular attachment of viruses determines their cell tropism and species specificity. For entry, vaccinia, the prototypic poxvirus, relies on four binding proteins and an eleven-protein entry fusion complex. The contribution of the individual virus binding proteins to virion binding orientation and membrane fusion is unclear. Here, we show that virus binding proteins guide side-on virion binding and promote curvature of the host membrane towards the virus fusion machinery to facilitate fusion. Using a membrane-bleb model system together with super-resolution and electron microscopy we find that side-bound vaccinia virions induce membrane invagination in the presence of low pH. Repression or deletion of individual binding proteins reveals that three of four contribute to binding orientation, amongst which the chondroitin sulfate binding protein, D8, is required for host membrane bending. Consistent with low-pH dependent macropinocytic entry of vaccinia, loss of D8 prevents virion-associated macropinosome membrane bending, disrupts fusion pore formation and infection. Our results show that viral binding proteins are active participants in successful virus membrane fusion and illustrate the importance of virus protein architecture for successful infection.
Exerkines and cardiometabolic benefits of exercise: from bench to clinic
Authors: Jin Leigang , Diaz-Canestro Candela , Wang Yu , Tse Michael Andrew , Xu Aimin
Published: February 2024

Regular exercise has both immediate and long-lasting benefits on cardiometabolic health, and has been recommended as a cornerstone of treatment in the management of diabetes and cardiovascular conditions. Exerkines, which are defined as humoral factors responsive to acute or chronic exercise, have emerged as important players conferring some of the multiple cardiometabolic benefits of exercise. Over the past decades, hundreds of exerkines released from skeletal muscle, heart, liver, adipose tissue, brain, and gut have been identified, and several exerkines (such as FGF21, IL-6, and adiponectin) have been exploited therapeutically as exercise mimetics for the treatment of various metabolic and cardiovascular diseases. Recent advances in metagenomics have led to the identification of gut microbiota, a so-called “hidden” metabolic organ, as an additional class of exerkines determining the efficacy of exercise in diabetes prevention, cardiac protection, and exercise performance. Furthermore, multiomics-based studies have shown the feasibility of using baseline exerkine signatures to predict individual responses to exercise with respect to metabolic and cardiorespiratory health. This review aims to explore the molecular pathways whereby exerkine networks mediate the cardiometabolic adaptations to exercise by fine-tuning inter-organ crosstalk, and discuss the roadmaps for translating exerkine-based discovery into the therapeutic application and personalized medicine in the management of the cardiometabolic disease.
Fast cancer imaging in pancreatic biopsies using infrared imaging
Authors: Koziol-Bohatkiewicz Paulina , Liberda-Matyja Danuta , Wrobel Tomasz P.
Published: February 2024

Pancreatic cancer, particularly Pancreatic ductal adenocarcinoma, remains a highly lethal form of cancer with limited early diagnosis and treatment options.
MnO2/Ce6 microbubble-mediated hypoxia modulation for enhancing sono-photodynamic therapy against triple negative breast cancer
Authors: Li Ping , Tan Xiao , Dan Qing , Hu Azhen , Hu Zhengming , Yang Xiaoting , Bai Jianhua , Chen Xiaoyu , Li Bowei , Cheng Guanxun , Liu Li , Chen Yun , Sun Desheng , Shuai Xintao , Zheng Tingting
Published: February 2024

Sono-photodynamic therapy (SPDT) has emerged as a promising treatment modality for triple negative breast cancer (TNBC).
Dynamics studies for the multi-well and multi-channel reaction of OH with C2H2 on a full-dimensional global potential energy surface
Authors: Zhang Shuwen , Chen Qixin , Zhang Lidong , Li Jun , Hu Xixi , Xie Daiqian
Published: February 2024

Full-dimensional PES for the C2H2 + OH reaction has been developed at the UCCSD(T)-F12b/cc-pVTZ-F12 level, and quasi-classical trajectory calculations from 298 to 3000 K were performed to obtain dynamics information for this multi-channel reaction.
Brush-like Co/CoSe nanoheterostructures embedded in N-doped carbon for rechargeable Zn–air batteries
Authors: Luo Teng , Lei Shengxi , Qi Pan , Niu Shuai , Li Zhiwei , Luo Hao , Zhang Dawei
Published: February 2024

The brush-like Co/CoSe nanoheterostructures embedded in N-doped carbon catalysts with effective catalytic sites and excellent mass/electron transfer structures are developed for Zn-air batteries.
Preparation of a novel cadmium-containing coordination polymer and catalytic application in the synthesis of N-alkylated aminoquinoline derivatives via the borrowing hydrogen approach
Authors: Li Jiahao , Mao Anruo , Hu Xinyu , Wang Likui , Wang Dawei , Duan Zheng-Chao
Published: February 2024

An innovative coordination polymer revealed high catalytic activity for the synthesis of N-alkylated aminoquinoline derivatives via the borrowing hydrogen strategy.
A cyclometalated Pt(ii)–Pt(ii) clamshell dimer with a triplet emission at 887 nm
Authors: Yuan Lequn , Yao Haibo , Shen Yunjun , Zhang Yuzhen
Published: February 2024

Here, a cyclometalated Pt(ii) clamshell dimer (complex 2) has been synthesized with the primary ligand of dibenzo(f,h)quinoxaline and an ancillary ligand of N,N′-diphenylformamidine.
Transition metal incorporation: electrochemical, structure, and chemical composition effects on nickel oxyhydroxide oxygen-evolution electrocatalysts
Authors: Marquez Raul A. , Kalokowski Emma , Espinosa Michael , Bender Jay T. , Son Yoon Jun , Kawashima Kenta , Chukwuneke Chikaodili E. , Smith Lettie A. , Celio Hugo , Dolocan Andrei , Zhan Xun , Miller Nathaniel , Milliron Delia J. , Resasco Joaquin , Mullins C. Buddie
Published: February 2024

Trace metal cations dissolved in alkaline electrolytes incorporate into nickel hydroxide/oxyhydroxide through in situ cation exchange, creating an interstratified structure near the surface of the material that impacts the electrochemical performance.
Inelastic scattering of NO(A2Σ+) + CO2: rotation–rotation pair-correlated differential cross sections
Authors: Leng Joseph G. , Sharples Thomas R. , Fournier Martin , McKendrick Kenneth G. , Craciunescu Luca , Paterson Martin J. , Costen Matthew L.
Published: February 2024

Crossed molecular beam scattering combined with velocity-map ion-imaging reveals the dynamical pathways controlling the inelastic scattering of NO(A) with CO2.
Greener preparation of a flexible material based on macaw palm oil derivatives and CO2
Authors: Alarcon Rafael Turra , Gaglieri Caroline , Bannach Gilbert , Cavalheiro Éder Tadeu Gomes
Published: February 2024

The polymerization procedure reduces the aminolysis drawback found in conventional synthesis for renewable polyhydroxyurethanes. The polymer is from two macaw palm oil derivatives and presents flexible, luminescent, and waterproofing features.
Permeation properties and hydrothermal stability of allylhydridopolycarbosilane (AHPCS)-derived silicon carbide (SiC) membranes
Authors: Sushanti Gusni , Tanabe Daiki , Thi Thu Hien Khuat , Moriyama Norihiro , Nagasawa Hiroki , Kanezashi Masakoto , Tsuru Toshinori
Published: February 2024

Among various membrane materials used for gas separation, silicon carbide (SiC) is promising because of its structural stability and mechanical strength.
A defective NiCo-pentlandite/black phosphorus heterostructure for efficient water splitting electrocatalysis
Authors: Liu Hang , Tian Yahui , Lenus Syama , Zhao Xin , Dai Zhengfei , Liang Tingting
Published: February 2024

A defective nickel cobalt pentlandite/black phosphorus heterostructure achieves highly active and durable water electrolysis through interface and heteroatom dual-engineering.
Polynary energy harvesting and multi-parameter sensing in the heatwave environment of industrial factory buildings by an integrated triboelectric–thermoelectric hybrid generator
Authors: Fang Lin , Chen Chen , Zhang Haonan , Tu Xinbo , Wang Zixun , He Wen , Shen Shengnan , Wu Mingzai , Wang Peihong , Zheng Li , Wang Zhong Lin
Published: February 2024

A hybrid generator integrating a fan-shaped triboelectric nanogenerator (FR-TENG) with an all-inorganic thermoelectric generator (iThEG) has been proposed.
Coumarin-embedded [5]helicene derivatives: synthesis, X-ray analysis and photoconducting properties
Authors: Yang Hui , Chen Guofeng , Zhang Ran , Zhu Yanjie , Xiao Jinchong
Published: February 2024

Two novel coumarin-embedded π-extended [5]helicene derivatives (3a and 6a) have been strategically synthesized and characterized, and the structure of 3a was determined via single crystal X-ray analysis.
Bimetal doped Cu–Fe-ZIF-8/g-C3N4 nanocomposites for the adsorption of tetracycline hydrochloride from water
Authors: Zhao Yibo , Li Yueyang , Chang Lu , He Wenjing , Liu Keling , Cui Minjie , Wang Shengnan , Zhao Yujia , Tan Xinyu
Published: February 2024

Bimetal doping can significantly improve the adsorption capacity of composites towards tetracycline hydrochloride.
What defines electrophilicity in carbonyl compounds
Authors: Bickelhaupt F. Matthias , Fernández Israel
Published: February 2024

The origin of the electrophilicity of a series of cyclohexanones and benzaldehydes is investigated using the activation strain model and quantitative Kohn–Sham molecular orbital (MO) theory.
Mechanochromic polymer blends made with an excimer-forming telechelic sensor molecule
Authors: Oggioni Marta , Clough Jess M. , Weder Christoph
Published: February 2024

The ability to monitor mechanical stresses and strains in polymers via an optical signal enables the investigation of deformation processes in such materials and is technologically useful for sensing damage and failure in critical components.
Exploring the effects of defect concentrations and distribution on Li diffusion in Li3OBr solid-state electrolyte using a deep potential model
Authors: Xia Lirong , Tang Jian , Chen Yufang , Zhou Xing , Ma Zhongyun , Pei Yong
Published: February 2024

Anti-perovskite solid-state electrolytes with high ionic conductivity have been reported to have the potential to replace conventional liquid electrolytes.
Herringbone packed contorted aromatics with ordered three-dimensional channels as fast-charging and low-temperature lithium-ion battery anodes
Authors: Yang Lei , Zhu Xin , Zhou Qinghai , Qi Chaoran , Wang Qiyu , Shi Fengchun , Zhu Meng , Chen Guorong , Wang Dongdong , Liu Xiaoyan , Wang Liwei , Zhang Dengsong , Li Hexing , Xiao Shengxiong
Published: February 2024

A graphite material (c-HBC-8O) with three-dimensional lithium-ion transport channels was prepared and used as a lithium-ion battery anode electrode, which delivers superior fast-charge capacity, cycle stability and outstanding rate performance.
Insights into the active nickel centers embedded in graphitic carbon nitride for the oxygen evolution reaction
Authors: Rossetti Nicolò , Ugolotti Aldo , Cometto Claudio , Celorrio Verónica , Dražić Goran , Di Valentin Cristiana , Calvillo Laura
Published: February 2024

Combination of experimental work and DFT calculations to establish the structural changes undergone by single Ni atoms stabilized in carbon nitride under OER conditions.
A dynamic {AuI⋯AuI}-coupling cluster-based coordination capsule for photocatalytic benzylamine oxidation
Authors: Shang Ping , Li Yu-Hua , Chen Xing-Yu , Xiao Yu-Qing , Pu Xiao-Qian , Jiang Kai-Wen , Jiang Xuan-Feng
Published: February 2024

Dynamic gold(i) cluster-based capsule: a dimeric capsule with a dynamic cavity was synthesized using a multi-component modular self-assembly strategy driven by aurophilicity interaction. This capsule exhibited highly photocatalytic activity towards benzylamine oxidation reaction.
One-step construction of silver–polyaniline nanocomposite modified multifunctional sponges for wastewater remediation: adsorption, catalysis and antimicrobial applications
Authors: Song Huilin , Zhang Kaidi , Li Peiqi , Qin Guowen , Xiao Wanxin , Zhang Changdong , Zheng Yang , Ding Yang , Ji Shunli
Published: February 2024

The porous and multifunctional composite sponge (Ag–PANI@PAS) prepared by a one-step polymerization and reduction reaction is a promising material for high-performance wastewater treatment.
Aerosol-assisted chemical vapor deposition of 2H-WS2 from single-source tungsten dithiolene precursors
Authors: Germaine Ian M. , Richey Nathaniel E. , Huttel Mary B. , McElwee-White Lisa
Published: February 2024

Tungsten dithiolene complexes were used as single-source precursors for the aerosol-assisted chemical vapor deposition of WS2 thin films.
Critical transition to a highly conductive state through PEDOT oligomer percolation in redox-active COFs
Authors: Cao Chaoqun , Chen Qi , Suizu Rie , Awaga Kunio
Published: February 2024

The close packing of PEDOT oligomers in redox-active COFs induces a highly conductive state with electrochemical activity.
Regenerable chitosan-embedded magnetic iron oxide beads for nitrate removal from industrial wastewater
Authors: Nasir Muntaha , Javaid Farhan , Masood M. Talha , Arshad Dr Muhammad , Yasir Muhammad , Sedlarik Vladimir , Qadir Muhammad Abdel , Qiblawey Hazim , Zhang Wenjuan , Deen Kashif Mairaj , Asselin Edouard , Ahmad Nasir M.
Published: February 2024

Synthesis of regenerable chitosan-embedded magnetic iron oxide beads.
A Co and Fe bimetallic MOF with enhanced electrocatalytic oxygen evolution performance: exploring the electronic environment modifications upon Fe incorporation
Authors: Singh Varsha , Singh Devesh Kumar , Yadav Mamta , Singh Smita , Rathour Vikram , Tiwari Ananya , Ganesan Vellaichamy
Published: February 2024

The incorporation of iron into the cobalt-based metal–organic framework modifies the electronic environment and the resulting bimetallic MOF exhibits enhanced oxygen evolution reaction performance.
Photo-responsive metal–organic gels of rigid phenylene-1,3-di-substituted angular dienes with metal halides: gel-to-gel transformations triggered by [2 + 2] polymerization
Authors: Sultana Shaheen , Mandal Rajorshi , Biradha Kumar
Published: February 2024

The metal–organic gels of a diene undergo a gel-to-gel transformation upon photochemical irradiation, which triggers [2 + 2] polymerization and increases the rigidity and width of the fibrils of MOGs.
Hot off the press
Authors: Hill Robert A. , Sutherland Andrew
Published: February 2024

A personal selection of 32 recent papers is presented covering various aspects of current developments in bioorganic chemistry and novel natural products such as dcalycinumine A from Daphniphyllum calycinum.
Near-infrared absorbing nonaromatic core-modified meta-benzicalixhexaphyrin(1.1.1.1.1.1)s
Authors: Varak Pooja , Ravikanth Mangalampalli
Published: February 2024

The [3 + 3] condensation of m-benzitripyrrane dicarbinol and 16-heterocycle tripyrranes under mild acid-catalyzed conditions resulted in the formation of m-benziheterocalixhexaphyrin(1.1.1.1.1.1)s, which strongly absorb in the visible-NIR region.
Tunable C–H functionalization and dearomatization enabled by an organic photocatalyst
Authors: An Bohang , Cui Hao , Zheng Chao , Chen Ji-Lin , Lan Feng , You Shu-Li , Zhang Xiao
Published: February 2024

Starting from the same substrates, tunable C–H functionalization and dearomatization have been achieved under the catalysis of a new organic photocatalyst – isoazatruxene ITN-2.
Recent advances in peptide-based bioactive hydrogels for nerve repair and regeneration: from material design to fabrication, functional tailoring and applications
Authors: Sun Zhengang , Hu Huiqiang , Zhang Xingchao , Luan Xin , Xi Yongming , Wei Gang , Zhang Xuanfen
Published: February 2024

Peptide-based bioactive hydrogels exhibit high potential for nerve repair and regeneration applications via structural and functional regulations.
Robust and flexible composite aerogel films with porous multilayered structures toward broadband electromagnetic wave absorption
Authors: Li Zhihui , Xu Chenhui , Zheng Jiajia , Hang Tianyi , Chen Yiming , Lin Hongjun , Li Xiping , Wu Zhiyi
Published: February 2024

Robust composite aerogel films exhibit superior electromagnetic wave absorption performance, owing to multilayered heterostructures assisted by MXene and Ni nanochains.
Parents' Perceptions of Eye-Gaze Technology Use by Children With Complex Communication Needs
Authors: Masayko Sandra , McGowan Joy , Grampurohit Namrata
Published: February 2024

Purpose:

Some preschool students with complex communication needs explore eye-gaze computer technology (EGCT) and adopt computer-based augmentative and alternative communication (AAC). The objective of this study was to follow preschool explorers of EGCT who are now school aged to describe the children's use of technology and parents' perceptions of its utility for communication, participation, or leisure.

Method:

Ten parents completed survey questions by Internet and phone and reported their perceptions of nine children's effectiveness in the use and acceptance of AAC and the support they received in implementing technology. The results are reported as a descriptive study.

Results:

All children in this research continue to use AAC technology in school and most at home. Many children who tried and obtained EGCT while in preschool continue to use that technology. Most parents agreed that the children understood how to use the devices, which enhanced the children's communication, and that the parents received sufficient support. Most children were limited in their use of the devices for leisure and control of their environments.

Conclusions:

Computer-based AAC for school-aged children who trialed it when they were in preschool appears to be a powerful means for them to communicate and participate. However, the technology appears not to be used to its full capabilities to support the children's agency to control environments and to pursue leisure. Teams may want to consider how to support children in using their AAC devices to meet multiple needs. The study was limited by its small sample size and its descriptive nature. Additional research on this subject is needed.
Computer-Based Naming Treatment for Semantic Variant Primary Progressive Aphasia With History of Traumatic Brain Injury: A Single-Case Experimental Design
Authors: Robinaugh Gary , Henry Maya L. , Cavanaugh Robert , Grasso Stephanie M.
Published: February 2024

Purpose:

The purpose of this study was to investigate the effectiveness of a self-administered naming treatment for one individual, B.N., presenting with semantic variant primary progressive aphasia (svPPA) and a history of traumatic brain injury (TBI).

Method:

Naming treatment included components of Lexical Retrieval Cascade Treatment and was self-administered using an adaptive spaced retrieval software, Anki. Using a multiple-baseline, single-case experimental design, naming accuracy probes were taken during pretreatment, treatment, posttreatment, and follow-up (through 12 months) for 60 trained words and 10 untrained words. Item-level Bayesian generalized mixed-effects models were used to estimate (a) the treatment effect for trained words, (b) change in untrained words, and (c) maintenance of treatment effects from posttreatment to each subsequent follow-up.

Results:

Statistical analyses revealed that a gain of 35 out of 60 trained words (35.3; 90% CI [30.6, 39.5]) was directly attributable to treatment. Following treatment, evidence of generalization to untrained words was not observed. During the follow-up period, there was gradual decline in naming accuracy of trained items.

Conclusions:

The positive treatment results reported here support the use of self-administered naming treatments for those with svPPA and a history of TBI. Although the utility of this treatment approach is constrained by patient factors including motivation, self-administered naming treatments represent a unique opportunity to expand access to speech-language intervention for people with svPPA, including those with concomitant diagnoses.

Supplemental Material:

https://doi.org/10.23641/asha.25119080
The 3D structure of disc-instability protoplanets
Authors: Fenton Adam , Stamatellos Dimitris
Published: February 2024

Context. The model of disc fragmentation due to gravitational instabilities offers an alternate formation mechanism for gas giant planets, especially those on wide orbits.

Aims. Our goal is to determine the 3D structure of disc-instability protoplanets and to examine how this relates to the thermal physics of the fragmentation process.

Methods. We modelled the fragmentation of gravitationally unstable discs using the SPH code PHANTOM, and followed the evolution of the protoplanets formed through the first and second-hydrostatic core phases (up to densities 10−3 g cm−3).

Results. We find that the 3D structure of disc-instability protoplanets is affected by the disc environment and the formation history of each protoplanet (e.g. interactions with spiral arms, mergers). The large majority of the protoplanets that form in the simulations are oblate spheroids rather than spherical, and they accrete faster from their poles.

Conclusions. The 3D structure of disc-instability protoplanets is expected to affect their observed properties and should be taken into account when interpreting observations of protoplanets embedded in their parent discs.
Triple Rotor Vertical Axis Wind Turbine for Low Wind Speed Range Energy Generation
Authors: Aravind Vaithilingam Chockalingam , Sivasubramanian Ramsundar , Prakash O.K.S. , Misron Norhisam , Happonen Ari
Published: February 2024

A new triple rotor vertical axis wind turbine (VAWT) is presented to produce electricity efficiently in light winds. Rotors are designed to consume less consistent energy when moving to boost efficiency. The turbine comprises numerous adjustable dual blades, a frame component adjacent to the hub, and a revolving hub in the centre. Each blade has a serrated part and is joined to a frame component. The rotor shaft connects the hub and frame sections mechanically and can spin along its longitudinal axis. A connector also allows rotational movement by connecting multiple rotor components. The movement of the turbine is efficiently transferred to the generator using a magnetically propelled mechanism linked to the turbine.