bluuebunny/crossref_metadata_2025 huggingface dataset:
A Supercapacitor Driven by MXene Nanofluid Gel Electrolyte Induced the Synergistic High Ionic Migration Rate and Excellent Mechanical Properties
Authors: Yu Jiangyi , Qu Danyao , Wang Xiaojing , Ma Jie , Zheng Yan , Zhang Pengchao , Zhao Xue , Wang Yuqi , Li Peipei , Zhang Jiaoxia
Published: September 2024

The current application of gel electrolytes in energy storage fails to meet the demand for higher ion transport and excellent mechanical properties due to the low ionic conductivity and poor mechanical properties. Herein, a novel strategy is proposed to graft oligomer polyetheramine on the surface of MXene to achieve a transformation from solid MXene to MXene nanofluid avoiding oxidation and aggregation of MXene, and then it is introduced to gel electrolytes providing ion transport channels and mechanical properties. The synergistic effect on the core of MXene and the canopy of polyetheramine produce Lewis acid–base interactions on electrolyte ions, which not only promote electrolyte dissociation but also provides ion transport path‐way. The experiment and molecular dynamics simulations show that the ionic diffusion ability of electrolyte ions is enhanced, because the MXene and polyetheramine promote electrolyte dissociation and reduce the electrostatic interference between anions and cations. The specific capacity of the assembled supercapacitor is 114.28 F g−1 at 1 A g−1 current density, and the capacity retention rate is 91.30% after 3000 cycles. This work provides a new insight for fabricating high‐performance devices.
Interpretable Fine‐Grained Phenotypes of Subcellular Dynamics via Unsupervised Deep Learning
Authors: Wang Chuangqi , Choi Hee June , Woodbury Lucy , Lee Kwonmoo
Published: September 2024

Uncovering fine‐grained phenotypes of live cell dynamics is pivotal for a comprehensive understanding of the heterogeneity in healthy and diseased biological processes. However, this endeavor poses significant technical challenges for unsupervised machine learning, requiring the extraction of features that not only faithfully preserve this heterogeneity but also effectively discriminate between established biological states, all while remaining interpretable. To tackle these challenges, a self‐training deep learning framework designed for fine‐grained and interpretable phenotyping is presented. This framework incorporates an unsupervised teacher model with interpretable features to facilitate feature learning in a student deep neural network (DNN). Significantly, an autoencoder‐based regularizer is designed to encourage the student DNN to maximize the heterogeneity associated with molecular perturbations. This method enables the acquisition of features with enhanced discriminatory power, while simultaneously preserving the heterogeneity associated with molecular perturbations. This study successfully delineated fine‐grained phenotypes within the heterogeneous protrusion dynamics of migrating epithelial cells, revealing specific responses to pharmacological perturbations. Remarkably, this framework adeptly captured a concise set of highly interpretable features uniquely linked to these fine‐grained phenotypes, each corresponding to specific temporal intervals crucial for their manifestation. This unique capability establishes it as a valuable tool for investigating diverse cellular dynamics and their heterogeneity.
Enhancing impact resistance in E‐glass fabric composites through shear thickening fluids and functionalized polyethylene glycol
Authors: Hai Tao , Alhomayani Fahad Mohammed , Singh Pradeep Kumar , Soliman N. , El‐Shafay W. , Fuad H.
Published: September 2024

In this study, we delved into innovative strategies to make neat E‐glass fabrics (NGFs) more impact‐ and tensile‐resistant by using shear‐thickening fluids (STFs). To achieve this goal, the polyethylene glycol (PEG) in STFs has been modified. Subsequently, the STF‐impregnated fabric composites were prepared from unmodified PEG and functionally modified PEGs using malonic and tartaric acids, V/S/GF, M/S/GF, and T/S/GF composites, respectively. Fourier‐transform infrared spectroscopy (FTIR) analysis was conducted to confirm the chemical modification of PEGs. The rheological tests showed a significant improvement in the peak viscosity of modified STFs compared with virgin STF. Dynamic rheological analysis also studied media‐particle interaction, revealing improved media‐particle interaction in STFs due to abundant H‐bonding. In addition, a series of experimental tests, namely compressive impact resistance and strip tensile strength tests, have been conducted to investigate the effect of STF modification on the NGF. The results revealed notable improvements in tensile strength and energy dissipation in the T/S/GF and M/S/GF composites compared with V/S/GF and NGF. Importantly, this improvement extended to the impact performance of single, triple, and quintuple layers. Notably, we found that the peak load of 5 T/S/GF was 37.71%, 18.57%, and 11.87% lower than that of 5NGF, 5 V/S/GF, and 5 M/S/GF, respectively. The idea that made these improvements possible came from PEG functionalization, which helps hydrogen bonds form between the dispersed phase and the dispersion medium, leading to higher viscosity. This, in turn, increases inter‐yarn friction, effectively enhancing the spring‐like properties of T/S/GF and M/S/GF compared with V/S/GF. A two‐step artificial intelligence regression analysis underpinned these findings, elucidating the interplay of molecular mechanisms in high‐performance fabric composites.
Preparation and evaluation of Gastrodia elata polysaccharide loaded electrospinning nanofiber facial mask
Authors: Wang Yao , Wang Ning , Liu Wencong , Cheng Zhiqiang , Li Wei , Zhao Yan , Zhu Hongyan
Published: September 2024

Facial masks available in the market are primarily made of non‐woven fabric. To extend their shelf life, preservatives, and essences are added to their ingredients. However, this practice has a significant impact on the environment and human health. As a result, consumers nowadays prefer to choose “Clean Beauty” products for their skincare routines. Herein, electrospinning technology was used to prepare a novel Janus nanofiber membrane comprising Polylactic acid/Polyvinylpyrrolidone (PLA/PVP) and Chitosan/Gelatin (CS/GEL), loaded with Gastrodia elata polysaccharide (GEP) and melatonin (MT). The Janus nanofiber facial mask is a solid mask that provides excellent moisturizing, antioxidant, and biocompatibility benefits. It can dissolve quickly and be absorbed by the skin, while the hydrophobic fiber helps slow down the rapid evaporation of water in the mask. This, combined with the Janus structure, helps delay the loss of water and allows for quick penetration, resulting in a long‐lasting moisturizing effect. Therefore, the Janus nanofiber facial mask is an ideal choice for solid facial masks and provides technical support for its application in this field.
Enhanced piezoelectric and electrodeformation properties of PVDF films fabricated by roll to roll process
Authors: Zhang Chao
Published: September 2024

β‐phase poly(vinylidene fluoride) (PVDF) film boasts excellent electrical properties and can be used in sensors, micro actuation, and energy harvesting. In this paper, high β‐phase PVDF films were stretched by stretch‐line equipment (roll to roll) and the β‐phase content can reach 60%, realizing the potential for large‐scale fabrication. Moreover, the electrical and electrostrictive properties of PVDF films before and after stretching are compared. The stretched film (PVDF‐R film) has better piezoelectric properties and electrostrictive properties due to the formation of high β phase in the stretched film and the directional arrangement of PVDF molecular chains in the amorphous region (the formation of directional amorphous). Under the same driving electric field intensity (180 kV/mm), the electrostrictive deformation of PVDF film is 1.5 μm, while that of PVDF‐R film is 2 μm. The piezoelectric coefficient of the PVDF‐R films can reach 36 pC/N. The output voltage of the PVDF‐R film in finger press mode is studied and the peak position of the output voltage signal is obvious, which can be used for pulse monitoring.
Study on the properties and mechanism of orientated PAN/TPU composite materials using Raman spectroscopy
Authors: Zhou Juying , Zou Jiarui , Han Lu , Long Han , Zhao Yanzhi , Qi Wen
Published: September 2024

Oriented polyacrylonitrile (PAN) films were prepared and treated with hot stretching method to obtain higher degree of orientation. The PAN fiber membrane was infiltrated with thermoplastic polyurethane (TPU) to prepare oriented PAN membrane reinforced TPU composite membrane. The tensile properties of the composite material were studied, and the tensile strength, modulus, and toughness all increased with the increase of orientation. The interfacial miscibility between the matrix and nanofibers was observed using Raman spectroscopy, and morphology, properties, and reinforcement mechanism of the composite material were analyzed combining scanning electron microscopy technique. The results indicate as the orientation increases, the compatibility between the matrix and fibers improves, and the mechanical properties of the composite material also improved.
Derivatization‐free sustainable spectrofluorimetric estimation of antihistamine drug mizolastine in pharmaceutical and biological matrices
Authors: Mohamed Abobakr A. , Omar Mahmoud A. , Zeid Abdallah M. , Halawa Mohamed Ibrahim , Mostafa Islam M.
Published: September 2024

Mizolastine is an antihistamine drug that is commonly used for treatment of chronic urticaria and allergic rhinitis. In this study, a facile, rapid, and sustainable fluorimetric method was established for the estimation of mizolastine in pharmaceutical and biological matrices for the first time. The approach methodology relied on the direct assessment of mizolastine's intrinsic fluorescence at 313 nm after excitation at 272 nm. This intrinsic fluorescence, stemming from the benzimidazole fluorophore moiety in mizolastine structure, serves as a distinctive marker for its precise quantification in the spiked human plasma and pharmaceutical formulations with high %recovery. The method exhibits reasonable sensitivity with lower limits of detection and quantification of 5.4 and 16.6 ng mL−1, respectively, across a concentration range of 25.0–2000.0 and 50–1000 ng mL−1 for the standard mizolastine analysis and mizolastine assay in the plasma sample, respectively. Moreover, the established method was applied to assess tablet content uniformity and mizolastine assay in plasma samples with high recoveries (98.50%–100.20%). Such applications underscore the method's potential applicability within quality control laboratories, preventing the need for sample preparation or laborious extraction steps. Finally, the method's sustainability and practicality were confirmed by applying different greenness and whiteness metrics, yielding excellent results.
The combination of a tyrosine kinase inhibitor and blinatumomab in patients with Philadelphia chromosome–positive acute lymphoblastic leukemia or Philadelphia chromosome‐like acute lymphoblastic leukemia
Authors: Wu Xiaoxia , Lu Shenqi , Zhang Xinhui , Yang Zhen , Sun Aining , Wu Depei , Zhou Huifen , Miao Miao
Published: September 2024

Tyrosine kinase inhibitors (TKIs) have revolutionized Philadelphia chromosome‐positive (Ph+) acute lymphoblastic leukemia (ALL) treatment. The combination of blinatumomab and a TKI in the frontline setting has shown the safety and efficacy of the chemotherapy‐free treatment approach in patients with Ph + ALL. This retrospective analysis included 19 patients with Ph + ALL and Ph‐like ALL treated with the combination of blinatumomab and a TKI. Of the 14 newly diagnosed patients, the overall response, complete remission (CR), and molecular response (CMR) rates after one cycle of blinatumomab were 100% (10/10), 90% (9/10), and 57% (8/14), respectively. Of the five relapsed patients, the CR and CMR rates were 50% (2/4) and 40% (2/5). Blinatumomab in combination with TKIs is safe and effective and hence this combination therapy could be a viable therapeutic option in front‐line treatment of patients with Ph + ALL.
Gender and melanoma subtype‐based prognostic implications of MUC16 and TTN co‐occurrent mutations in melanoma: A retrospective multi‐study analysis
Authors: Kodali Nilesh , Alomary Simona , Bhattaru Abhijit , Eldaboush Ahmed , Schwartz Robert A. , Lipner Shari R.
Published: September 2024

Background

Most primary cutaneous melanomas have pathogenesis driven by ultraviolet exposure and genetic mutations, whereas acral lentiginous melanoma (ALM) and metastatic melanoma are much less, if at all, linked with the former. Thus, we evaluated both ultraviolet related and non‐ultraviolet related melanomas. Mutations in the MUC16 and TTN genes commonly occur concurrently in these melanoma patients, but their combined prognostic significance stratified by gender and cancer subtype remains unclear.

Methods

The cBioPortal database was queried for melanoma studies and returned 16 independent studies. Data from 2447 melanoma patients were utilized including those with ALM, cutaneous melanoma (CM), and melanoma of unknown primary (MUP). Patients were grouped based on the presence or absence of MUC16 and TTN mutations. Univariate Cox regression and Student's t‐tests were used to analyze hazard ratios and total mutation count comparisons, respectively.

Results

TTN mutations, either alone or concurrently with MUC16 mutations, significantly correlated with worse prognosis overall, in both genders, and in CM patients. ALM patients with both mutations had better prognoses than CM patients, while ALM patients with neither mutation had worse prognosis than CM patients. For MUP patients, only MUC16 mutations correlated with worse prognosis. ALM patients with neither MUC16 nor TTN mutations had significantly more total mutations than MUP patients, followed by CM patients.

Conclusion

TTN mutations are a potential marker of poor prognosis in melanoma, which is amplified in the presence of concurrent MUC16 mutations. ALM patients with neither gene mutations had worse prognosis, suggesting a protective effect of having both MUC16 and TTN mutations. Only MUC16 mutations conferred a worse prognosis for MUP patients. Comprehensive genetic profiling in melanoma patients may facilitate personalized treatment strategies to optimize patient outcomes.
Toward Sustainable Production: Emerging Trends in Iron and Steel Making
Authors: Adhikari Neema , Khanam Shabina
Published: September 2024

The iron and steel industry is a significant contributor to greenhouse gas emissions, responsible for about 7–9 % of the total emissions. This paper examines sustainable production methods in the iron and steel industry, focusing on decarbonization strategies and energy integration. It covers a wide range of alternative reductants to replace the conventional use of coal. Moreover, the paper highlights the challenges and opportunities associated with each approach. Additionally, it discusses the design modifications for coal‐based sponge iron plants, aiming to reduce coal consumption and waste gas generation while ensuring economic viability. This study provides a roadmap for transitioning to environmentally friendly, technically feasible, and economically viable iron and steel manufacturing processes.
Hepatocellular Interactions of Potential Nutraceuticals in the Management of Inflammatory NAFLD
Authors: Ezhilarasan Devaraj , Langeswaran Kulanthaivel
Published: September 2024

Numerous studies highlight the potential of natural antioxidants, such as those found in foods and plants, to prevent or treat nonalcoholic fatty liver disease (NAFLD). Inflammation is a key factor in the progression from high‐fat diet‐induced NAFLD to nonalcoholic steatohepatitis (NASH). Injured liver cells and immune cells release inflammatory cytokines, activating hepatic stellate cells. These cells acquire a profibrogenic phenotype, leading to extracellular matrix accumulation and fibrosis. Persistent fibrosis can progress to cirrhosis. Fatty infiltration, oxidative stress, and inflammation exacerbate fatty liver diseases. Thus, many plant‐derived antioxidants, like silymarin, silibinin, curcumin, resveratrol, berberine, and quercetin, have been extensively studied in experimental models and clinical patients with NAFLD. Experimentally, these compounds have shown beneficial effects in reducing lipid accumulation, oxidative stress, and inflammatory markers by modulating the ERK, NF‐κB, AMPKα, and PPARγ pathways. They also help decrease metabolic endotoxemia, intestinal permeability, and gut inflammation. Clinically, silymarin and silibinin have been found to reduce transaminase levels, while resveratrol and curcumin help alleviate inflammation in NAFLD patients. However, these phytocompounds exhibit poor water solubility, leading to low oral bioavailability and hindering their biological efficacy. Additionally, inconclusive clinical results highlight the need for further trials with larger populations, longer durations, and standardized protocols.
Rationalizing the catalytic surface area of oxygen vacancy‐enriched layered perovskite LaSrCrO4 nanowires on oxygen electrocatalyst for enhanced performance of Li–O2 batteries
Authors: Sung Myeong‐Chang , Kim Chan Ho , Hwang Byoungjoon , Kim Dong‐Wan
Published: September 2024

Efficient electrocatalysis at the cathode is crucial to addressing the limited stability and low rate capability of Li−O2 batteries. This study examines the kinetic behavior of Li−O2 batteries utilizing layered perovskite LaSrCrO4 nanowires (NWs) composed of lower oxidation states. Layered perovskite LaSrCrO4 NWs exhibited improved rate capability over a wide range of current densities and longer cycle life in Li−O2 batteries than V‐based layered perovskite (LaSrVO4) and simple perovskite (La0.8Sr0.2CrO3) NWs. X‐ray photoelectron spectroscopy and electrochemical surface area analyses showed that the observed performance variations primarily stemmed from active sites such as oxygen vacancies. In situ Raman analysis showed that these active sites significantly modulate the kinetics of oxygen reduction and evolution, which are related to LiO2 intermediate adsorption. Electrochemical impedance spectroscopy showed that the active sites in layered perovskite LaSrCrO4 NWs contributed to their high charge transfer capability and reduced polarization. This study presents an appealing method for the precise fabrication and analysis of Cr‐based layered perovskites, aimed at achieving highly efficient and stable bifunctional oxygen electrocatalysis.
Exploring the potential role of palladin in modulating human CAF/ECM functional units
Authors: Dolskii Aleksandr , Alcantara dos Santos Sérgio A. , Andrake Mark , Franco‐Barraza Janusz , Dunbrack Roland L. , Cukierman Edna
Published: September 2024

Fibroblasts, crucial for maintaining tissue homeostasis, significantly shape the tumor microenvironment (TME). In pancreatic cancer, a highly aggressive malignancy, cancer‐associated fibroblast (CAF)/extracellular matrix (ECM) units dominate the TME, influencing tumor initiation, progression, and treatment responses. Palladin, an actin‐associated protein, is vital for fibroblast structural integrity and activation, playing a key role in CAF/ECM functionality. Palladin interacts with cytoskeletal proteins such as alpha‐actinin (α‐Act) and can therefore regulate other proteins like syndecans, modulating cytoskeletal features, cell adhesion, integrin recycling, and signaling. In this review, we propose that targeting the palladin/α‐Act/syndecan interaction network could modulate CAF/ECM units, potentially shifting the TME from a tumor‐promoting to a tumor‐suppressive state. In silico data and reported studies to suggest that stabilizing palladin‐α‐Act interactions, via excess palladin, influences syndecan functions; potentially modulating integrin endocytosis via syndecan engagement with protein kinase C alpha as opposed to syndecan binding to α‐Act. This mechanism can then affect the distribution of active α5β1‐integrin between the plasma membrane and known intracellular vesicular compartments, thereby influencing the tumor‐suppressive versus tumor‐promoting functions of CAF/ECM units. Understanding these interactions offers likely future therapeutic avenues for stroma normalization in pancreatic and other cancers, aiming to inhibit tumor progression and improve future treatment outcomes.
Imatinib adherence prediction using machine learning approach in patients with gastrointestinal stromal tumor
Authors: Liu Li , Yu Ze , Chen Hefen , Gong Zhujun , Huang Xiao , Chen Linhua , Fan Ziying , Zhang Jinyuan , Yan Jiannan , Tian Hongkun , Zeng Xiangyu , Chen Zhiliang , Zhang Peng , Zhou Hong
Published: September 2024

Background

Nonadherence to imatinib is common in patients with gastrointestinal stromal tumor (GIST), which is associated with poor prognosis and financial burden. The primary aim of this study was to investigate the adherence rate in patients with GIST and subsequently develop a model based on machine learning (ML) and deep learning (DL) techniques to identify the associated factors and predict the risk of imatinib nonadherence.

Methods

All eligible patients completed four sections of questionnaires. After the data set was preprocessed, statistically significance variables were identified and further processed to modeling. Six ML and four DL algorithms were applied for modeling, including eXtreme gradient boosting, light gradient boosting machine (LGBM), categorical boosting, random forest, support vector machine, artificial neural network, multilayer perceptron, NaiveBayes, TabNet, and Wide&Deep. The optimal ML model was used to identify potential factors for predicting adherence.

Results

A total of 397 GIST patients were recruited. Nonadherence was observed in 185 patients (53.4%). LGBM exhibited superior performance, achieving a mean f1_score of 0.65 and standard deviation of 0.12. The predominant indicators for nonadherent prediction of imatinib were cognitive functioning, whether to perform therapeutic drug monitoring (if_TDM), global health status score, social support, and gender.

Conclusions

This study represents the first real‐world investigation using ML techniques to predict risk factors associated with imatinib nonadherence in patients with GIST. By highlighting the potential factors and identifying high‐risk patients, the multidisciplinary medical team can devise targeted strategies to effectively address the daily challenges of treatment adherence.
Lung Mechanics: Material Characterization of Pulmonary Constituents for an Experimentally Informed Computational Pipeline
Authors: Nelson Talyah M. , Mariano Crystal A. , Ramirez Gustavo O. , Badrou Arif , Quiros Kathrine A. M. , Shankel Matthew , Eskandari Mona
Published: September 2024

The lung comprises multiple components including the parenchyma, airways, and visceral pleura, where each constituent displays specific material properties that together govern the whole organ's properties. The structural and mechanical complexity of the lung has historically undermined its comprehensive characterization, especially compared to other biological organs, such as the heart or bones. This knowledge void is particularly remarkable when considering that pulmonary disease is one of the leading causes of morbidity and mortality across the globe. Establishing the mechanical properties of the lung is central to formulating a baseline understanding of its operation, which can facilitate investigations of diseased states and how the lung will potentially respond to clinical interventions. Here, we present established and widely accepted experimental protocols for pulmonary material quantification, specifying how to extract, prepare, and test each type of lung constituent under planar biaxial tensile loading to investigate the mechanical properties, such as physiological stress–strain profiles, anisotropy, and viscoelasticity. These methods are presented across an array of commonly studied species (murine, rat, and porcine). Additionally, we highlight how such material properties may inform the construction of an inverse finite element model, which is central to implementing predictive computational tools for accurate disease diagnostics and optimized medical treatments. These presented methodologies are aimed at supporting research advancements in the field of pulmonary biomechanics and to help inaugurate future novel studies. © 2024 The Author(s). Current Protocols published by Wiley Periodicals LLC.

Basic Protocol 1: General procedures in lung biaxial testing

Alternate Protocol 1: Parenchymal‐specific preparation and loading procedures

Alternate Protocol 2: Airway‐specific preparation and loading procedures

Alternate Protocol 3: Visceral pleura–specific preparation and loading procedures

Basic Protocol 2: Computational analysis
Genetic Manipulation of Candida glabrata
Authors: Usher Jane
Published: September 2024

Candida glabrata (Nakaseomyces glabratus) is an opportunistic fungal pathogen that has become a significant concern in clinical settings due to its increasing resistance to antifungal treatments. Understanding the genetic basis of its pathogenicity and resistance mechanisms is crucial for developing new therapeutic strategies. One powerful method of studying gene function is through targeted gene deletion. This paper outlines a comprehensive protocol for the deletion of genes in C. glabrata, encompassing primer design, preparation of electrocompetent cells, transformation, and finally confirmation of the gene deletion. The protocol begins with the identification and design of primers necessary for generating deletion constructs, involving the precise targeting of up‐ and downstream regions flanking the gene of interest to ensure high specificity and efficiency of homologous recombination. Followed is the preparation of electrocompetent cells, a critical step for successful transformation. Transformation of the competent cells is achieved through electroporation, facilitating the introduction of exogenous DNA into the cells. This is followed by the selection and confirmation of successfully transformed colonies. Confirmation involves the use of colony PCR to verify the correct integration of the NAT resistance cassette and deletion of the target gene. © 2024 The Author(s). Current Protocols published by Wiley Periodicals LLC.

Basic Protocol 1: Primer design for gene deletion in C. glabrata

Basic Protocol 2: Preparing competent C. glabrata cells

Basic Protocol 3: Transforming C. glabrata using electroporation

Basic Protocol 4: Confirming deletion strains with colony PCR
Highly Selective Conversion of Carbon Dioxide to Methane by Copper Single Atom Electrocatalysts
Authors: Liu Yixian , Zhang Mengling , Bao Kaili , Huang Hui , Kang Zhenhui
Published: September 2024

Electrocatalytic carbon dioxide reduction into high‐value chemicals is one of the important solutions to the greenhouse effect and energy crisis. However, the slow kinetic process of eight electrons requires the development of efficient catalysts to improve the yields. Single atom catalysts (SACs) with high activity and selectivity have become an emerging research frontier in the field of heterogeneous catalysis. Herein, a catalyst comprised of Cu single atoms loaded on carbon substrate (Cu‐NC) is developed for highly selective electrocatalytic reduction of CO2 to methane (CH4). The optimal catalyst (Cu‐NC‐1‐4) exhibits a faradaic efficiency (FE) of over 50 % for CH4 within a wide potential window from −1.3 V to −1.8 V (vs. RHE) and the highest FE of CH4 is up to 67.22 % at −1.6 V (vs. RHE). Meanwhile, the product selectivity of CH4 among all the carbon products reaches 93.00 %, and the activity decay can be negligible via the 70‐hour‐stability‐test. The existence of atomic dispersed Cu−N3 sites was verified by high‐angle annular dark field scanning transmission electron microscopy (HAADF‐STEM) and X‐ray absorption near edge structure (XANES). Density functional theory (DFT) calculations show that the effective adsorption of the key intermediate *CO on Cu−N3 sites prompts the generation of CH4.
Organic and Inorganic Photoactive Absorbers for Wavelength‐Selective Transparent Photovoltaic Devices: Focus Review
Authors: Wong Terence K. S.
Published: September 2024

The present status of wavelength‐selective transparent photovoltaic (TPV) devices for green buildings and self‐powered wireless sensors is comprehensively reviewed. Photoactive absorbers for both UV and near‐infrared (NIR)‐selective TPV are discussed. UV‐selective devices based on engineered small organic molecules have demonstrated high transparency (>80%). However, their power conversion efficiency (PCE) is ≈1%. Higher PCE of 3.15% and transparency of 51.4% are obtained from the bulk heterojunction (BHJ) of a wide energy gap conjugated polymer and nonfullerene acceptor (NFA). The highest transparency of 84.6% together with device stability and scalability is realized for CsPbCl2.5Br0.5 perovskite absorbers. The few reported NIR‐selective TPV devices are all organic solar cells. Using BHJs comprising ultranarrow energy gap conjugated polymer and NFA, a PCE of 5.74% and transparency of ≈60% can be obtained. However, current IR‐selective devices are generally limited by an absorption tail that encroaches into the visible region and result in suboptimal color rendering. To address this, a new spectral range ratio (SRR) parameter is proposed to classify absorbers for IR‐selective TPV devices. A molecular design strategy to increase the SRR based on frontier molecular orbital theory is outlined.
Effects of check dam construction on sediment production and topographic changes in a gully in the Loess Plateau: A rainfall simulation experiment
Authors: Xue Shaobo , Li Peng , Cui Zhiwei , Li Zhanbin , Shen Zhenzhou
Published: September 2024

To maintain a reasonable sediment regulation system in the Loess Plateau, it is critical to determine the effects of check dam construction on sediment production and topographic changes. An indoor simulation experiment was conducted to investigate sediment production at the outlet section of the gully and micro‐topographic changes within the channel before and after dam construction. The results showed that check dam significantly affected the run‐off and sediment transport processes in the watershed. Specifically, the cross‐sectional morphology index (η) and the width‐depth ratio increased by 10.23% and 40.44%, respectively, while sediment content and particle size decreased by 39.29% and 18.58%, respectively. Additionally, the relative importance of section parameters and micro‐topographic parameters that affect sediment production rate and particle size was ranked using the random forest algorithm. The roughness after check dam construction was identified as a relatively important topographic factor affecting sediment production and particle selection by erosion. These findings provide valuable information for future check dam construction and development in the Loess Plateau region.
A computational mechanistic study on the formation of aryl sulfonyl fluorides via Bi(III) redox‐neutral catalysis and further rational design
Authors: Zhang Zhaoyin , Ma Qin , Yang Xing , Zhang Shuqi , Guo Kai , Zhao Lili
Published: September 2024

Sulfonyl fluorides hold significant importance as highly valued intermediates in chemical biology due to their optimal balance of biocompatibility with both aqueous stability and protein reactivity. The Cornella group introduced a one‐pot strategy for synthesizing aryl sulfonyl fluorides via Bi(III) redox‐neutral catalysis, which facilitates the transmetallation and direct insertion of SO2 into the BiC(sp2) bond giving the aryl sulfonyl fluorides. We report herein a comprehensive computational investigation of the redox‐neutral Bi(III) catalytic mechanism, disclose the critical role of the Bi(III) catalyst and base (i.e., K3PO4), and uncover the origin of SO2 insertion into the Bi(III)C(sp2) bond. The entire catalysis can be characterized via three stages: (i) transmetallation generating the Bi(III)‐phenyl intermediate IM3 facilitated by K3PO4. (ii) SO2 insertion into IM3 leading to the formation of Bi(III)‐OSOAr intermediate IM5. (iii) IM5 undergoes S(IV)‐oxidation yielding the aryl sulfonyl fluoride product 4 and liberating the Bi(III) catalyst for the next catalytic cycle. Each stage is kinetically and thermodynamically feasible. Moreover, we explored other some small molecules (NO2, CO2, H2O, N2O, etc.) insertion reactions mediated by the Bi(III)‐complex, and found that NO2 insertions could be easily achieved due to the low insertion barriers (i.e., 17.5 kcal/mol). Based on the detailed mechanistic study, we further rationally designed additional Bi(III) and Sb(III) catalysts, and found that some of which exhibit promising potential for experimental realization due to their low barriers (<16.4 kcal/mol). In this regard, our study contributes significantly to enhancing current Bi(III)‐catalytic systems and paving the way for novel Bi(III)‐catalyzed aryl sulfonyl fluoride formation reactions.
Longitudinal Multiparametric QuantitativeMRIEvaluation of Acute and Chronic Multiple Sclerosis Paramagnetic Rim Lesions
Authors: Elkady Ahmed M. , Elliott Colm , Fetco Dumitru , Araujo David , Karimaghaloo Zahra , Ganzetti Marco , Clayton David , Craveiro Licinio , Kazlauskaite Agne , Narayanan Sridar , Arnold Douglas L. , Rudko David A.
Published: September 2024

Background

Multiple sclerosis (MS) paramagnetic rim lesions (PRLs) are markers of chronic active biology and exhibit complex iron and myelin changes that may complicate quantification when using conventional MRI approaches.

Purpose

To conduct a multiparametric MRI analysis of PRLs.

Study Type

Retrospective/longitudinal.

Subjects

Ninety‐five progressive MS subjects with at least one persistent PRL who were enrolled in the CONSONANCE trial.

Field Strength/Sequence

3‐T/Susceptibility‐weighted, T1‐weighted, T2‐weighted, and fluid‐attenuated inversion recovery.

Assessment

Acute/chronic PRLs and non‐PRLs were measured at screening, 24, 48, and 96 weeks using quantitative magnetic susceptibility (QS), R2*, and standardized T1w/T2w ratio (sT1w/T2w). PRL analyses were performed for whole lesion, core, and rim. The correlations between PRL core and rim sT1w/T2w, QS, and R2* were assessed.

Statistical Tests

Linear mixed models. AP‐value <0.05 was considered significant.

Results

There was a significant decrease in sT1w/T2w (−0.24 ± −5.3 × 10−3) and R2* (−3.6 ± 2.2 Hz) but a significant increase in QS (+21 ± 1.3 ppb) using whole‐lesion analysis of chronic PRLs compared to non‐PRLs at screening. Tissue damage accumulated at the 96‐week time point was more evident in acute/chronic PRLs compared to acute/chronic non‐PRLs (ΔsT1w/T2w = −0.21/−0.24 ± 0.033/0.0053; ΔR2* = −4.4/−3.6 ± 1.4/2.2 Hz). New, acute PRL sT1w/T2w significantly increased in lesion core (+4.3 × 10−3 ± 1.2 × 10−4) and rim (+5.6 × 10−3 ± 1.2 × 10−4) 24 weeks post lesion inception, suggestive of partial recovery. Chronic PRLs, contrastingly, showed significant decreases in sT1w/T2w over the initial 24 weeks for both core (−2.1 × 10−4 ± 2.0 × 10−5) and rim (−2.4 × 10−4 ± 2.0 × 10−5), indicative of irreversible tissue damage. Significant positive correlations between PRL core and rim sT1w/T2w (R2 = 0.53), R2* (R2 = 0.69) and QS (R2 = 0.52) were observed.

Data Conclusion

Multiparametric assessment of PRLs has the potential to be a valuable tool for assessing complex iron and myelin changes in chronic active PRLs of progressive MS patients.

Level of Evidence

2

Technical Efficacy

Stage 3
ADAR1 Promotes Invasion and Migration and Inhibits Ferroptosis via the FAK/AKT Pathway in Colorectal Cancer
Authors: He Dongsheng , Niu Chao , Bai Rilan , Chen Naifei , Cui Jiuwei
Published: September 2024

The role of adenosine deaminase acting on RNA1 (ADAR1) in colorectal cancer (CRC) is poorly understood. This study investigated the roles and underlying molecular mechanisms of ADAR1 and its isoforms, explored the correlations between ADAR1 expression and the immune microenvironment and anticancer drug sensitivity, and examined the potential synergy of using ADAR1 expression and clinical parameters to determine the prognosis of CRC patients. CRC samples showed significant upregulation of ADAR1, and high ADAR1 expression was correlated with poor prognosis. Silencing ADAR1 inhibited the proliferation, invasion, and migration of CRC cells and induced ferroptosis by suppressing FAK/AKT activation, and the results of rescue assays were consistent with these mechanisms. Both ADAR1‐p110 and ADAR1‐p150 were demonstrated to regulate the FAK/AKT pathway, with ADAR1‐p110 playing a particularly substantial role. In evaluating the prognosis of CRC patients, combining ADAR1 expression with clinical parameters produced a substantial synergistic effect. The in vivo tumorigenesis of CRC was significantly inhibited by silencing ADAR1. Furthermore, ADAR1 expression was positively correlated with tumor mutational burden (TMB) and microsatellite status (p < 0.05), indicating that ADAR1 plays a complex role in CRC immunotherapy. In conclusion, ADAR1 plays oncogenic roles in CRC both in vitro and in vivo, potentially by inhibiting ferroptosis via downregulation of the FAK/AKT pathway. Thus, ADAR1 serves as a potential prognostic biomarker and a promising target for CRC therapy.
Analysis of jail populations reveals jump in mental health prescribing
Authors: Enos Gary
Published: September 2024

New data published in the Journal of Correctional Healthcare suggest a steadily increasing need for behavioral health services in jail settings and a growing presence of psychotropic medication treatments in response.
Multicenter, multivendor validation of liver quantitative susceptibility mapping in patients with iron overload at 1.5 T and 3 T
Authors: Buelo Collin J. , Velikina Julia , Mao Lu , Zhao Ruiyang , Yuan Qing , Ghasabeh Mounes Aliyari , Ruschke Stefan , Karampinos Dimitrios C. , Harris David T. , Mattison Ryan J. , Jeng Michael R. , Pedrosa Ivan , Kamel Ihab R. , Vasanawala Shreyas , Yokoo Takeshi , Reeder Scott B. , Hernando Diego
Published: September 2024

Purpose

To evaluate the repeatability and reproducibility of QSM of the liver via single breath‐hold chemical shift–encoded MRI at both 1.5 T and 3 T in a multicenter, multivendor study in subjects with iron overload.

Methods

This prospective study included four academic medical centers with three different MRI vendors at 1.5 T and 3 T. Subjects with known or suspected liver iron overload underwent multi‐echo spoiled gradient‐recalled‐echo scans at each field strength. A subset received repeatability testing at either 1.5 T or 3 T. Susceptibility and maps were reconstructed from the multi‐echo images and analyzed at a single center. QSM‐measured susceptibility was compared with and a commercial R2‐based liver iron concentration method across centers and field strengths using linear regression and F‐tests on the intercept and slope. Field‐strength reproducibility and test/retest repeatability were evaluated using Bland–Altman analysis.

Results

A total of 155/80 data sets (test/retest) were available at 1.5 T, and 159/70 data sets (test/retest) were available at 3 T. Calibrations across sites were reproducible, with some variability (e.g., susceptibility slope with liver iron concentration ranged from 0.102 to 0.123 g/[mgppm] across centers at 1.5 T). Field strength reproducibility was good (concordance correlation coefficient = 0.862), and test/retest repeatability was excellent (intraclass correlation coefficient = 0.951).

Conclusion

QSM as an imaging biomarker of liver iron overload is feasible and repeatable across centers and MR vendors. It may be complementary with as they are obtained from the same acquisition. Although good reproducibility was observed, liver QSM may benefit from standardization of acquisition parameters. Overall, QSM is a promising method for liver iron quantification.
Clinical practice guideline‐inconsistent chemotherapy‐induced vomiting prophylaxis in pediatric cancer patients in community settings: A Children's Oncology Group study
Authors: Sugalski Aaron J. , Grimes Allison C. , Nuño Michelle M. , Ramakrishnan Subhash , Beauchemin Melissa P. , Robinson Paula D. , Santesso Nancy , Walsh Alexandra M. , Wrightson Andrea R. , Yu Lolie C. , Parsons Susan K. , Sung Lillian , Dupuis L. Lee
Published: September 2024

Background

This study aimed to determine the proportion of patients receiving clinical practice guideline (CPG)‐inconsistent care related to chemotherapy‐induced vomiting (CIV) prophylaxis, and to describe the association between CPG‐inconsistent care and site size. The association between delivery of CPG‐inconsistent care and patient outcomes (CIV control, admission prolongation, and unplanned healthcare visits) was also described.

Methods

This was a retrospective study conducted at Children's Oncology Group (COG) National Cancer Institute Community Oncology Research Program (NCORP) sites. Eligible patients received highly (HEC) or moderately emetogenic chemotherapy (MEC) as inpatients from January 2014 through December 2015, and were previously enrolled in a COG study. The COG generated a patient list from which patients were randomly selected for chart review by participating sites. A central panel adjudicated CIV prophylaxis received as CPG‐consistent or ‐inconsistent.

Results

Twenty‐four sites participated. Over half of patients received CPG‐inconsistent CIV prophylaxis (HEC: 59/112, 52.6%; MEC: 119/215, 55.3%). The most common reasons for CPG‐inconsistency were shortened duration of antiemetic administration or omission of dexamethasone. Site size was not found to be associated with CPG‐inconsistent care delivery (HEC: adjusted odds ratio [OR]: 0.96, 95% confidence interval [CI]: 0.76–1.23; MEC: adjusted OR: 1.07; 95% CI: 0.92–1.24). Additionally, there was no statistically significant association between receipt of CPG‐inconsistent care and patient outcomes.

Conclusions

Patients receiving MEC or HEC often received CPG‐inconsistent CIV prophylaxis. Site size was not associated with receipt of CPG‐inconsistent care. Future studies should evaluate strategies to improve CIV control among pediatric oncology patients including those aimed at improving CPG adherence.
Polycaprolactone/MSMA composites for magnetic refrigeration applications
Authors: Sánchez‐Alarcos V. , Khanna D. L. R. , La Roca P. , Recarte V. , Lambri F. D. , Bonifacich F. G. , Lambri O. A. , Royo‐Silvestre I. , Urbina A. , Pérez‐Landazábal J. I.
Published: September 2024

A high filling load (62% weight) printable magnetic composite has been elaborated from the dispersion of magnetocaloric Ni45Mn36.7In13.3Co5 metamagnetic shape memory alloy microparticles into a PCL polymer matrix. The composite material has been prepared by solution method, resulting in a very homogeneous particles dispersion into the matrix. The structural transitions in the polymer are not affected by the addition of the metallic microparticles, which in turn results in a significant increase of the mechanical consistency. The good ductility of the elaborated composite allows its extrusion in flexible printable filaments, from which 3D pieces with complex geometries have been grown. The heat transfer of the composite material has been assessed from finite element simulation. In spite of the achievable magnetocaloric values are moderated with respect to the bulk, numerical simulations confirm that, in terms of heat transference, a PCL/Ni‐Mn‐In‐Co wire is more efficient than a bulk Ni‐Mn‐In‐Co cubic piece containing the same amount of magnetic active material. The quite good magnetocaloric response of the composite and the possibility to print high surface/volume ratio geometries make this material a promising candidate for the development of heat exchangers for clean and efficient magnetic refrigeration applications.

Highlights

3D printable magnetic composites developed from dispersion of MSMA in PCL.

High filling factor and uniform dispersion characterized by SEM.

Inclusion of microparticles does not affect polymeric structural transitions.

Metallic fillers improve DMA response of 3D printed pieces.

FEM simulations endorse PCL/MSMA composites for magnetic refrigeration.
Potentially Missed Diagnoses in Prenatal Versus Postnatal Exome Sequencing in the Lack of Informative Phenotype: Lessons Learned From a Postnatal Cohort
Authors: Brabbing‐Goldstein Dana , Bazak Lily , Ruhrman‐Shahar Noa , Lidzbarsky Gabriel Arie , Orenstein Naama , Lifshiz‐Kalis Marina , Asia‐Batzir Nurit , Goldberg Yael , Basel‐Salmon Lina
Published: September 2024

Objective

To investigate how many novel pathogenic (P) and likely pathogenic (LP) nonprotein‐truncating or noncanonical splicing variants would be classified as variants of unknown significance (VUS) if they were detected in fetuses without abnormalities.

Methods

The study included 156 patients with neurodevelopmental disorders diagnosed through postnatal exome sequencing. Causative P/LP nonprotein‐truncating and noncanonical splicing variants were retrospectively reclassified in cases without specific prenatal manifestations, disregarding postnatal symptoms.

Results

Of the 156 patients, 72 had a nontruncating or noncanonical splicing variant. Six patients were excluded for having more than one possible causative variant. Twelve patients had prenatal malformations known to be associated with the diagnosed disorder; therefore, variant interpretation remained unchanged. In 33 of the 54 remaining cases, the variant had been previously reported as P/LP. Reclassification of the other 21 LP/P variants revealed that 16 would have been classified as VUS if detected prenatally.

Conclusion

In our cohort, ∼24% (16/66) of causative nonprotein‐truncating/noncanonical splicing variants would have been classified as VUS if sequencing had been conducted during pregnancy. The potential for false‐negative results, stemming from limitations in the phenotypic information available prenatally, should be discussed with prospective parents. The criteria for classifying and reporting variants in the prenatal setting may require adjustment.
Cobalt Ferrite–Silica–Gold Nanocomposite: Synthesis, Structural Characterization, and Magneto‐Plasmonic Properties
Authors: Alves Thiago. E. P. , Almeida Thatielly F. , Franco Adolfo , Burda Clemens
Published: September 2024

Cobalt ferrite–silica–gold nanocomposite (CoFe2O4@SiO2@Au) is synthesized using a new method involving: i) the polyol method for cobalt ferrite nanoparticles (CoFe2O4), ii) the Stober method for silica coating, iii) surface functionalization with 3‐aminopropyl triethoxysilane (APTES), and iv) decoration with gold nanoparticles via tetrakis hydroxy‐methyl‐phosphonium (THPC) reduction. Transmission electron microscopy (TEM) and scanning electron microscopy (SEM) confirm the morphology of the nanoparticles and coatings for the nanocomposites. Ultraviolet–visible (UV–Vis) absorption spectra exhibit plasmon resonance peaks with tuned shifts, discuss in terms of the difference in dielectric permittivity in the core where gold nanoparticles are anchored. Magnetic hysteresis analysis reveals superparamagnetic behavior with reduced saturation magnetization for the nanocomposites. These findings are useful, as superparamagnetic behavior combined with control of plasmonic emission is highly relevant for several magneto‐plasmonic applications.