bluuebunny/crossref_metadata_2025 huggingface dataset:
Description and evaluation of GMXe: a new aerosol submodel for global simulations (v1)
Authors: Pringle K. J. , Tost H. , Message S. , Steil B. , Giannadaki D. , Nenes A. , Fountoukis C. , Stier P. , Vignati E. , Lelieveld J.
Published: September 2010

Abstract. We present a new aerosol microphysics and gas aerosol partitioning submodel (Global Modal-aerosol eXtension, GMXe) implemented within the ECHAM/MESSy Atmospheric Chemistry model (EMAC, version 1.8). The submodel is computationally efficient and is suitable for medium to long term simulations with global and regional models. The aerosol size distribution is treated using 7 log-normal modes and has the same microphysical core as the M7 submodel (Vignati et al., 2004). The main developments in this work are: (i) the extension of the aerosol emission routines and the M7 microphysics, so that an increased (and variable) number of aerosol species can be treated (new species include sodium and chloride, and potentially magnesium, calcium, and potassium), (ii) the coupling of the aerosol microphysics to a choice of treatments of gas/aerosol partitioning to allow the treatment of semi-volatile aerosol, and, (iii) the implementation and evaluation of the developed submodel within the EMAC model of atmospheric chemistry. Simulated concentrations of black carbon, particulate organic matter, dust, sea spray, sulfate and ammonium aerosol are shown to be in good agreement with observations (for all species at least 40% of modeled values are within a factor of 2 of the observations). The distribution of nitrate aerosol is compared to observations in both clean and polluted regions. Concentrations in polluted continental regions are simulated quite well, but there is a general tendency to overestimate nitrate, particularly in coastal regions (geometric mean of modelled values/geometric mean of observed data ≈2). In all regions considered more than 40% of nitrate concentrations are within a factor of two of the observations. Marine nitrate concentrations are well captured with 96% of modeled values within a factor of 2 of the observations.
Combined use of FORMOSAT-2 images with a crop model for biomass and water monitoring of permanent grassland in Mediterranean region
Authors: Courault D. , Hadria R. , Ruget F. , Olioso A. , Duchemin B. , Hagolle O. , Dedieu G.
Published: September 2010

Abstract. The aim of this study is to propose methods to improve crop and water management in Mediterranean regions. At landscape scale, there is a spatial variability of agricultural practices, particularly for grasslands irrigated by flooding. These grasslands are harvested three times per year and produce high quality hay, but their productions decreased significantly during the last few years because of the water scarcity. It is therefore important to assess the real water requirement for crops in order to predict productions in the case of agricultural practice modifications. Until now, the spatial variability of agricultural practices was obtained through surveys from farmers, but this method was tedious to describe an entire region. Thus, the specific aim of the study is to develop and assess a new method based on a crop model for estimating water balance and crop yield constrained by products derived from optical remote sensing data with high spatio-temporal resolution. A methodology, based on the combined use of FORMOSAT-2 images and the STICS crop model, was developed to estimate production, evapotranspiration and drainage of irrigated grasslands in "the Crau" region in the South Eastern France. Numerous surveys and ground measurements were performed during an experiment conducted in 2006. Simple algorithms were developed to retrieve the dynamic of Leaf Area Index (LAI) for each plot and the main agricultural practices such as mowing and irrigation dates. These variables computed from remote sensing were then used to parameterize STICS, applied at region scale to estimate the spatial variability of water budget associated with the biomass productions. Results are displayed at the farm scale. Satisfactory results were obtained when compared to ground measurements. The method for the extrapolation to other regions or crops is discussed as regard to data available.
Bathymetry of the Indonesian Sunda margin-relating morphological features of the upper plate slopes to the location and extent of the seismogenic zone
Authors: Krabbenhoeft A. , Weinrebe R. W. , Kopp H. , Flueh E. R. , Ladage S. , Papenberg C. , Planert L. , Djajadihardja Y.
Published: September 2010

Abstract. Earthquake history shows that the Sunda subduction zone of the Indonesian margin produces great earthquakes offshore Sumatra, whereas earthquakes of comparable magnitude are lacking offshore Java and the Lesser Sunda islands. Morphological structures in multibeam bathymetric data across the forearc relate with the extent of the seismogenic zone. Its updip limit corresponds to the slope break, most distinct off Java and Lesser Sunda islands, where we find coincident narrow, uniform, continuous outer arc ridges. Their landward termination and a shallow upper plate mantle mark the downdip limit of the seismogenic zone. In contrast the outer arc ridges off Sumatra are wider and partly elevated above sea level forming the forearc islands. The downdip limit of the seismogenic zone coincides with a deeper upper plate mantle. Sunda Strait marks a transition zone between the Sumatra and Java margins. We find the differences along the Sunda margin, especially the wider extent of the seismogenic zone off Sumatra, producing larger earthquakes, to result from the interaction of different age and subduction direction of the oceanic plate. We attribute a major role to the sediment income and continental/oceanic upper plate nature of Sumatra/Java influencing the composition and deformation style along the forearc and subduction fault.
Stochastic resonance: from climate to biology
Authors: Benzi R.
Published: September 2010

Abstract. In this lecture, I will review some basic aspects of the mechanism of stochastic resonance, first introduced as a possible mechanism to explain long term climatic variation. Since then, there have been many applications of stochastic resonance in physical and biological systems. I will show that in complex system, stochastic resonance can substantially change as a function of the "system complexity". Also, I will briefly mention how to apply stochastic resonance for the case of Brownian motors.
The lifecycle of axisymmetric internal solitary waves
Authors: McMillan J. M. , Sutherland B. R.
Published: September 2010

Abstract. The generation and evolution of solitary waves by intrusive gravity currents in an approximate two-layer fluid with equal upper- and lower-layer depths is examined in a cylindrical geometry by way of theory and numerical simulations. The study is limited to vertically symmetric cases in which the density of the intruding fluid is equal to the average density of the ambient. We show that even though the head height of the intrusion decreases, it propagates at a constant speed well beyond 3 lock radii. This is because the strong stratification at the interface supports the formation of a mode-2 solitary wave that surrounds the intrusion head and carries it outwards at a constant speed. The wave and intrusion propagate faster than a linear long wave; therefore, there is strong supporting evidence that the wave is indeed nonlinear. Rectilinear Korteweg-de Vries theory is extended to allow the wave amplitude to decay as r-p with p=½ and the theory is compared to the observed waves to demonstrate that the width of the wave scales with its amplitude. After propagating beyond 7 lock radii the intrusion runs out of fluid. Thereafter, the wave continues to spread radially at a constant speed, however, the amplitude decreases sufficiently so that linear dispersion dominates and the amplitude decays with distance as r-1.
El producto de convolución de la derivada de la delta de Dirac en 1-x2
Authors: García M , Aguirre M
Published: September 2010

En este artículo se le dio un sentido al producto de convolución de δ (k-1)(1- x2)∗δ (l-1) (1- x2). Como caso particular se obtuvo una fórmula del producto de convolución de δ (1- x2)∗δ (1- x2) (C.f. fórmula (38)). Palabras Claves: Convolución; ProductoDOI: http://dx.doi.org/10.5377/nexo.v22i2.45Nexo Revista Científica Vol. 22, No. 02, pp.66-71/Diciembre 2009
Oropharyngeal Cancer Staging Health Record Extraction Using Artificial Intelligence
Authors: Baran Elif , Lee Melissa , Aviv Steven , Weiss Jessica , Pettengell Chris , Karam Irene , Bayley Andrew , Poon Ian , Chan Kelvin K. W. , Parmar Ambica , Smoragiewicz Martin , Klieb Hagen , Truong Tra , Maralani Pejman , Enepekides Danny J. , Higgins Kevin M. , Eskander Antoine
Published: May 2024

Importance

Accurate, timely, and cost-effective methods for staging oropharyngeal cancers are crucial for patient prognosis and treatment decisions, but staging documentation is often inaccurate or incomplete. With the emergence of artificial intelligence in medicine, data abstraction may be associated with reduced costs but increased efficiency and accuracy of cancer staging.

Objective

To evaluate an algorithm using an artificial intelligence engine capable of extracting essential information from medical records of patients with oropharyngeal cancer and assigning tumor, nodal, and metastatic stages according to American Joint Committee on Cancer eighth edition guidelines.

Design, Setting, and Participants

This retrospective diagnostic study was conducted among a convenience sample of 806 patients with oropharyngeal squamous cell carcinoma. Medical records of patients with oropharyngeal squamous cell carcinomas who presented to a single tertiary care center between January 1, 2010, and August 1, 2020, were reviewed. A ground truth cancer stage dataset and comprehensive staging rule book consisting of 135 rules encompassing p16 status, tumor, and nodal and metastatic stage were developed. Subsequently, 4 distinct models were trained: model T (entity relationship extraction) for anatomical location and invasion state, model S (numerical extraction) for lesion size, model M (sequential classification) for metastasis detection, and a p16 model for p16 status. For validation, results were compared against ground truth established by expert reviewers, and accuracy was reported. Data were analyzed from March to November 2023.

Main Outcomes and Measures

The accuracy of algorithm cancer stages was compared with ground truth.

Results

Among 806 patients with oropharyngeal cancer (mean [SD] age, 63.6 [10.6] years; 651 males [80.8%]), 421 patients (52.2%) were positive for human papillomavirus. The artificial intelligence engine achieved accuracies of 55.9% (95% CI, 52.5%-59.3%) for tumor, 56.0% (95% CI, 52.5%-59.4%) for nodal, and 87.6% (95% CI, 85.1%-89.7%) for metastatic stages and 92.1% (95% CI, 88.5%-94.6%) for p16 status. Differentiation between localized (stages 1-2) and advanced (stages 3-4) cancers achieved 80.7% (95% CI, 77.8%-83.2%) accuracy.

Conclusion and Relevance

This study found that tumor and nodal staging accuracies were fair to good and excellent for metastatic stage and p16 status, with clinical relevance in assigning optimal treatment and reducing toxic effect exposures. Further model refinement and external validation with electronic health records at different institutions are necessary to improve algorithm accuracy and clinical applicability.
The radical impact of oxygen on prokaryotic evolution—enzyme inhibition first, uninhibited essential biosyntheses second, aerobic respiration third
Authors: Mrnjavac Natalia , Nagies Falk S. P. , Wimmer Jessica L. E. , Kapust Nils , Knopp Michael R. , Trost Katharina , Modjewski Luca , Bremer Nico , Mentel Marek , Esposti Mauro Degli , Mizrahi Itzhak , Allen John F. , Martin William F.
Published: May 2024

Molecular oxygen is a stable diradical. All O2‐dependent enzymes employ a radical mechanism. Generated by cyanobacteria, O2 started accumulating on Earth 2.4 billion years ago. Its evolutionary impact is traditionally sought in respiration and energy yield. We mapped 365 O2‐dependent enzymatic reactions of prokaryotes to phylogenies for the corresponding 792 protein families. The main physiological adaptations imparted by O2‐dependent enzymes were not energy conservation, but novel organic substrate oxidations and O2‐dependent, hence O2‐tolerant, alternative pathways for O2‐inhibited reactions. Oxygen‐dependent enzymes evolved in ancestrally anaerobic pathways for essential cofactor biosynthesis including NAD+, pyridoxal, thiamine, ubiquinone, cobalamin, heme, and chlorophyll. These innovations allowed prokaryotes to synthesize essential cofactors in O2‐containing environments, a prerequisite for the later emergence of aerobic respiratory chains.
Old Before Their Time? The Impact of Osteoarthritis on Younger Adults
Authors: Wilfong Jessica M. , Badley Elizabeth M. , Perruccio Anthony V.
Published: May 2024

Objective

Osteoarthritis (OA) is frequently perceived as a disease of the elderly and an inevitable result of aging. Because OA studies often are restricted to older adults, there is limited information on OA in younger adults. This study describes the burden of OA across a wide age range and compares younger and older adults.

Methods

Descriptive analysis of the Survey on Living with Chronic Diseases in Canada – Arthritis Component, a nationally representative survey of Canadians ≥20 years who reported an arthritis diagnosis in the Canadian Community Health Survey, a general health population survey. Analyses were restricted to those reporting OA and no other kind of arthritis (n = 1,749).

Results

In the representative group with OA, 55.4% were younger than 65 years. The mean age at diagnosis was 50 years, with 30.4% reporting being diagnosed before age 45 years. Younger adults reported similar symptom severity as their older counterparts with OA regarding the mean number of affected joint sites, severity of pain and fatigue, and activity limitations. In the youngest age group, those with OA were significantly more likely to report fair or poor overall and mental health and life dissatisfaction compared with their general counterparts; the same was not the case in the oldest age group.

Conclusion

OA is not uncommon among younger and middle‐aged adults, and they experience OA impacts comparable with those for older adults. These findings suggest that younger adults with OA will live many years with symptoms and disability and highlight a need for effective OA management across ages.
Organic Solvent Boosts Charge Storage and Charging Dynamics of Conductive MOF Supercapacitors
Authors: Chen Ming , Wu Taizheng , Niu Liang , Ye Ting , Dai Wenlei , Zeng Liang , Kornyshev Alexei A. , Wang Zhenxiang , Liu Zhou , Feng Guang
Published: May 2024

Conductive metal–organic frameworks (c‐MOFs) and ionic liquids (ILs) have emerged as auspicious combinations for high‐performance supercapacitors. However, the nanoconfinement from c‐MOFs and high viscosity of ILs slow down the charging process. This hindrance can, however, be resolved by adding solvent. Here, constant‐potential molecular simulations are performed to scrutinize the solvent impact on charge storage and charging dynamics of MOF‐IL‐based supercapacitors. Conditions for >100% enhancement in capacity and ≈6 times increase in charging speed are found. These improvements are confirmed by synthesizing near‐ideal c‐MOFs and developing multiscale models linking molecular simulations to electrochemical measurements. Fundamentally, the findings elucidate that the solvent acts as an “ionophobic agent” to induce a substantial enhancement in charge storage, and as an “ion traffic police” to eliminate convoluted counterion and co‐ion motion paths and create two distinct ion transport highways to accelerate charging dynamics. This work paves the way for the optimal design of MOF supercapacitors.
High‐Efficiency Semitransparent Near‐Infrared Organic Photodetectors Enabled by a Molecular Crystal Network
Authors: Quan Huilei , Zhong Zhiming , Zhou Zhisheng , Wu Xuefei , Shi Chuqi , Fink Zachary , Zhou Guanqing , Shang Ying , Yin Zhipeng , Zhang Anyang , Wang Cheng , Li Ning , Zhong Wenkai , Huang Fei , Ying Lei
Published: May 2024

Semitransparent organic photodetectors (ST‐OPDs) show immense promise for integration into optoelectronic devices, offering adjustable absorption and see‐through functionalities. However, achieving high‐performance ST‐OPDs remains challenging, necessitating a delicate balance of low dark current density, high external quantum efficiency, and optimal visible light transmission. Here, a strategy is presented using anode interfacial materials (AIMs) as the donor and narrow bandgap non‐fullerene acceptors (NFAs) to formulate the donor: acceptor light‐sensitive layer. Critical to the approach is the incorporation of 1,8‐diiodooctane during film processing, enabling the formation of morphology with an NFA molecular crystal network embedded within the donor polymer matrix. This optimized morphology substantially boosted device external quantum efficiency and reduced dark current under reverse bias, yielding a remarkable special detectivity of over 1013 Jones at 840 nm under a bias of −0.1 V. ST‐OPDs are achieved with detectivity surpassing 1012 Jones and notable average visible transmittance of over 50%. These findings highlight the potential of AIM:NFA combinations for high‐efficiency ST‐OPDs by finely controlling morphology through multiple length scales, opening doors for various applications in transparent electronics and beyond.
Modeling and Experimental Validation of High‐Flow Fluid‐Driven Membrane Valves for Hyperactuated Soft Robots
Authors: Dai Tianxiang , Velimirović Nikola , Zalles Philipp , Bruder Daniel , Buffinton Keith , Gillespie R. Brent , Remy C. David
Published: May 2024

Herein, the design, modeling, and validation of high‐flow, fluid‐driven, membrane valves tailored specifically for applications in soft robotic systems are described. Targeting the piping problem in hyper‐actuated soft robots, two fluid‐driven membrane valve designs that can admit flows of up to while weighing less than are introduced. A mathematical model to predict fluid flow by representing the displacement of the membrane as a scalar quantity influenced by the balance of pressures applied across the valve's ports is established. The model incorporates six parameters with direct physical relevance, enhancing its usefulness in valve design and system integration. In an experimental validation, flow rates with deviations within 4% are predicted and the onset of flow is correctly identified with an error rate of less than 1%. In addition, applications of these valves for flow amplification and for the creation of a fluid‐driven oscillator are experimentally demonstrated. This research contributes to the advancement of soft robotics by providing a tool for designing, optimizing, and controlling fluid‐driven systems and it lays the groundwork for the future development of embedded, fluid‐controlled valve networks that can be used to realize hyper‐actuated soft robotic systems.
Rescue Therapy for Failed Mechanical Thrombectomy in Acute Ischemic Stroke: A Pooled Analysis of the Society of Vascular and Interventional Neurology Registry
Authors: Rodriguez‐Calienes Aaron , Siddiqui Fazeel M. , Galecio‐Castillo Milagros , Mohammaden Mahmoud H. , Dolia Jaydevsinh N. , Grossberg Jonathan A. , Pabaney Aqueel , Hassan Ameer E. , Tekle Wondwossen G. , Saei Hamzah , Miller Samantha , Majidi Shahram , T. Fifi Johana , Valestin Gabrielle , Siegler James E. , Penckofer Mary , Zhang Linda , Sheth Sunil A. , Salazar‐Marioni Sergio , Iyyangar Ananya , Nguyen Thanh N. , Abdalkader Mohamad , Linfante Italo , Dabus Guilherme , Mehta Brijesh P. , Sessa Joy , Jumma Mouhammad A. , Sugg Rebecca M. , Linares Guillermo , Nogueira Raul G. , Liebeskind David S. , Haussen Diogo C. , Ortega‐Gutierrez Santiago
Published: May 2024

Objective

We aimed to evaluate the association between rescue therapy (RT) and functional outcomes compared to medical management (MM) in patients presenting after failed mechanical thrombectomy (MT).

Methods

This cross‐sectional study utilized prospectively collected and maintained data from the Society of Vascular and Interventional Neurology Registry, spanning from 2011 to 2021. The cohort comprised patients with large vessel occlusions (LVOs) with failed MT. The primary outcome was the shift in the degree of disability, as gauged by the modified Rankin Scale (mRS) at 90 days. Additional outcomes included functional independence (90‐day mRS score of 0–2), symptomatic intracranial hemorrhage (sICH), and 90‐day mortality.

Results

Of a total of 7,018 patients, 958 presented failed MT and were included in the analysis. The RT group comprised 407 (42.4%) patients, and the MM group consisted of 551 (57.5%) patients. After adjusting for confounders, the RT group showed a favorable shift in the overall 90‐day mRS distribution (adjusted common odds ratio = 1.79, 95% confidence interval [CI] = 1.32–2.45, p < 0.001) and higher rates of functional independence (RT: 28.8% vs MM: 15.7%, adjusted odds ratio [aOR] = 1.93, 95% CI = 1.21–3.07, p = 0.005) compared to the MM group. RT also showed lower rates of sICH (RT: 3.8% vs MM: 9.1%, aOR = 0.52, 95% CI = 0.28–0.97, p = 0.039) and 90‐day mortality (RT: 33.4% vs MM: 45.5%, aOR = 0.61, 95% CI = 0.42–0.89, p = 0.009).

Interpretation

Our findings advocate for the utilization of RT as a potential treatment strategy for cases of LVO resistant to first‐line MT techniques. Prospective studies are warranted to validate these observations and optimize the endovascular approach for failed MT patients. ANN NEUROL 2024;96:343–355
Influence of Donor Skeleton on Intramolecular Electron Transfer Amount for Efficient Perovskite Solar Cells
Authors: Geng Shengwei , Duan Jialong , Liu Naimin , Li Hui , Zhu Xixi , Duan Xingxing , Guo Qiyao , Dou Jie , He Benlin , Zhao Yuanyuan , Tang Qunwei
Published: May 2024

The passivation of the defects derived from rapid‐crystallization with electron‐donating molecules is always a prerequisite to obtain desirable perovskite films for efficient and stable solar cells, thus, the in‐depth understanding on the correlations between molecular structure and passivation capacity is of great importance for screening passivators. Here, we introduce the double‐ended amide molecule into perovskite precursor solution to modulate crystallization process and passivate defects. By regulating the intermediate bridging skeletons with alkyl, alkenyl and benzene groups, the results show the passivation strength highly depends on the spin‐state electronic structure that serves as an intrinsic descriptor to determine the intramolecular charge distribution by controlling orbital electron transfer from the donor segment to acceptor segment. Upon careful optimization, the benzene‐bridged amide molecule demonstrates superior efficacy on improving perovskite film quality. As a physical proof‐of‐concept, the carbon‐based, all‐inorganic CsPbI2Br solar cell delivers a significantly increased efficiency of 15.51 % with a remarkably improved stability. Based on the same principle, a champion efficiency of 24.20 % is further obtained on the inverted (Cs0.05MA0.05FA0.9)Pb(I0.93Br0.07)3 solar cell. These findings provide new fundamental insights into the influence of spin‐state modulation on effective perovskite solar cells.
Unveiling new thiazole‐clubbed piperazine derivatives as multitarget anti‐AD: Design, synthesis, and in silico studies
Authors: Nasr Eman E. , Tawfik Samar S. , Massoud Mohammed A. M. , Mostafa Amany S.
Published: May 2024

New thiazole‐clubbed piperazine derivatives were designed, synthesized, evaluated for their inhibitory capabilities against human acetylcholinesterase and butyrylcholinesterase (hAChE and/or hBuChE) and β‐amyloid (Aβ) aggregation, and investigated for their metal chelating potential as multitarget agents for the treatment of Alzheimer's disease. Compounds 10, 19–21, and 24 showed the highest hAChE inhibitory activity at submicromolar concentrations, of which compound 10 was the most potent with a half‐maximal inhibitory concentration (IC50) value of 0.151 μM. Compounds 10 and 20 showed the best hBuChE inhibitory activities (IC50 values of 0.135 and 0.103 μM, respectively), in addition to remarkable Aβ1–42 aggregation inhibitory activities and metal chelating capabilities. Both compounds were further evaluated against human neuroblastoma SH‐SY5Y and PC12 neuronal cells, where they proved noncytotoxic at their active concentrations against hAChE or hBuChE. They also offered a significant neuroprotective effect against Aβ25–35‐induced cytotoxicity in human neuroblastoma SH‐SY5Y cells. Compound 10 displayed acceptable physicochemical properties and could pass the blood–brain barrier. The molecular docking study revealed the good binding interactions of compound 10 with the key amino acids of both the catalytic active site and the peripheral anionic site of hAChE, explaining its significant potency.
High‐Yield Synthesis of Hierarchical SAPO‐34 by Recrystallization Method for Efficient Methanol‐to‐Olefin Reactions
Authors: Wu You , Zhang Junyi , Shi Ziyu , Chen Chong , Yue Xiaoyang , Sun Qiming
Published: May 2024

Prolonging the lifetime of SAPO‐34 catalysts and enhancing their olefin selectivity in methanol‐to‐olefin (MTO) reactions are critical yet challenging objectives. Here, a series of hierarchical SAPO‐34 catalysts were synthesized using a straightforward recrystallization method. The incorporation of triethylamine into the recrystallization mother liquor facilitated the formation of mesopores, achieving a high solid yield of up to 90%. Notably, the addition of phosphoric acid and ammonium polyvinyl phosphate alcohol during the recrystallization process significantly enhanced the crystallinity and regularity of the hierarchical SAPO‐34 crystals, consequently increasing the mesopore size. Due to the substantially improved mass transfer efficiency and moderated acidity, the SP34‐0.14P‐0.06R catalysts exhibited a prolonged lifetime of 344 min and 80.3% selectivity for ethylene and propylene at a weight hourly space velocity (WHSV) of 2 h−1. This performance markedly surpasses that of the parent SP34 catalyst, which demonstrated a lifetime of 136 min and a selectivity of 78.0%. Remarkably, the SP34‐0.14P‐0.06R maintained a lifetime of 166 min even at a high WHSV of 10 h−1, which is more than 5‐fold greater than that of the original microporous SP34. This research offers valuable insights into the design and development of hierarchically porous zeolites with high yields, enhancing the efficiency of MTO reactions and other applications.
Mechanism and potentialities of photothermal and photodynamic therapy of transition metal dichalcogenides (TMDCs) against cancer
Authors: Tyagi Neha , Arya Rajeshwar Kamal Kant , Bisht Dheeraj , Wadhwa Pankaj , Kumar Upadhyay Tarun , Kumar Sethiya Neeraj , Jindal Deepak Kumar , Pandey Sadanand , Kumar Deepak
Published: May 2024

The ultimate goal of nanoparticle‐based phototherapy is to suppress tumor growth. Photothermal therapy (PTT) and photothermal photodynamic therapy (PDT) are two types of physicochemical therapy that use light radiation with multiple wavelength ranges in the near‐infrared to treat cancer. When a laser is pointed at tissue, photons are taken in the intercellular and intracellular regions, converting photon energy to heat. It has attracted much interest and research in recent years. The advent of transition materials dichalcogenides (TMDCs) is a revolutionary step in PDT/PTT‐based cancer therapy. The TMDCs is a multilayer 2D nano‐composite. TMDCs contain three atomic layers in which two chalcogens squash in the transition metal. The chalcogen atoms are highly reactive, and the surface characteristics of TMDCs help them to target deep cancer cells. They absorb Near Infrared (NIR), which kills deep cancer cells. In this review, we have discussed the history and mechanism of PDT/PTT and the use of TMDCs and nanoparticle‐based systems, which have been practiced for theranostics purposes. We have also discussed PDT/PTT combined with immunotherapy, in which the cancer cell apoptosis is done by activating the immune cells, such as CD8+.
Proton pump inhibitors stabilize the expression of PD‐L1 on cell membrane depending on the phosphorylation of GSK3β
Authors: Gao Long , Liu Yuan , Liu Jiaying , Li Jiali , Li Haotian , Liu Yanyan , Meng Fang , Du Xiaohong , Gao Yufeng , Li Jiabin , Qin F. Xiao‐Feng
Published: May 2024

Background

Preclinical and clinical evidence indicates that proton pump inhibitors (PPIs) may indirectly diminish the microbiome diversity, thereby reducing the effectiveness of immune checkpoint inhibitors (ICIs). Conversely, recent publications have shown that PPIs could potentially enhance the response to ICIs. The precise mechanism through which PPIs modulate the ICIs remains unclear. In this study, we discovered a novel molecular function of PPIs in regulating immune invasion, specifically through inducing PD‐L1 translocation in various tumor cells.

Methods

C57BL/6 mice subcutaneous transplantation model is used to verify the potential efficacy of PPIs and PD‐L1 antibody. Western blotting analysis and phosphorylated chip are used to verify the alteration of PD‐L1‐related pathways after being treated with PPIs. The related gene expression is performed by qRT‐PCR and luciferase reporter analysis. We also collected 60 clinical patients diagnosed with esophageal cancer or reflux esophagitis and then detected the expression of PD‐L1 in the tissue samples by immunohistochemistry.

Results

We observed that the IC50 of tumor cells in response to PPIs was significantly higher than that of normal epithelial cells. PPIs significantly increased the expression of PD‐L1 on cell membrane at clinically relevant concentrations. Furthermore, pre‐treatment with PPIs appeared to synergize the efficiency of anti‐PD‐L1 antibodies in mouse models. However, PPI administration did not alter the transcription or total protein level of PD‐L1 in multiple tumor cells. Using a phosphorylated protein chip, we identified that PPIs enhanced the phosphorylation of GSK3β, then leading to PD‐L1 protein translocation to the cell membranes. The capacity of PPIs to upregulate PD‐L1 was negated following GSK3β knockout. Furthermore, our clinical data showed that the PPIs use resulted in increased PD‐L1 expression in esophageal cancer patients.

Conclusion

We mainly address a significant and novel mechanism that the usage of PPIs could directly induce the expression of PD‐L1 by inducing GSK3β phosphorylation and facilitate primary tumor progression and metastasis.
Validating the 2023 FIGO staging system: A nomogram for endometrioid endometrial cancer and adenocarcinoma
Authors: Feng Yifan , Miao Fulu , Li Yuyang , Li Min , Cao Yunxia
Published: May 2024

Background

To find the factors impacting overall survival (OS) prognosis in patients with endometrioid endometrial carcinoma (EEC) and adenocarcinoma and to establish a nomogram model to validate the 2023 International Federation of Obstetrics and Gynecology (FIGO) staging system for endometrial cancer.

Methods

Data were obtained from the Surveillance, Epidemiology, and End Results (SEER) training cohort. An independent validation cohort was obtained from the First Affiliated Hospital of Anhui Medical University between 2008 and 2023. Cox regression analysis identified independent prognostic factors for OS in EEC and adenocarcinoma patients. A nomogram predicting OS was developed and validated utilizing the C‐index, calibration curves, receiver operating characteristic (ROC) curves, and decision curve analysis (DCA). The relationship between the tumor grade and prognosis of EEC and adenocarcinoma was quantified using net reclassification improvement (NRI), propensity score matching (PSM), and Kaplan–Meier curves.

Results

Cox regression analysis identified age, race, marital status, tumor grade, tumor stage, tumor size, and chemotherapy as independent prognostic factors for OS. A nomogram for predicting OS was developed based on these factors. The C‐indexes for the OS nomogram was 0.743 and 0.720 for the SEER training set and external validation set, respectively. The area under the ROC (AUC) for the OS nomogram was 0.755, 0.757, and 0.741 for the SEER data subsets and 0.844, 0.719, and 0.743 for the external validation subsets. Calibration plots showed high concordance between the nomogram‐predicted and observed OS. DCA also demonstrated the clinical utility of the OS nomogram. NRI, PSM, and survival analyses revealed that tumor grade was the most important histopathological factor for EEC and adenocarcinoma prognosis.

Conclusion

Seven independent prognostic variables for the OS of patients with EEC and adenocarcinoma were identified. The established OS nomogram has good predictive ability and clinical utility and validates the 2023 endometrial cancer FIGO staging system.
Visionary preparation is critical for success
Authors: Hodges Dawn Z.
Published: May 2024

I was born in 1958, during the peak of the baby boom birthrate years. Fast forward two decades: I graduated from college in May 1980. In June I turned 22, and in July I started my first professional job in admissions and recruiting at my alma mater.
Recent OCR letter gives tips for responding to complaints about faculty
Authors: Lyerly Eric
Published: May 2024

When students file discrimination complaints against faculty members, rather than other students, such allegations can sometimes trigger multiple investigations/compliance reviews.
Multimodal Insights of Regeneration Dynamics of Spent Bimetallic Catalysts by Full Field Hyperspectral Quick‐EXAFS Imaging and Environmental Transmission Electron Microscopy
Authors: Briois Valérie , Nelayah Jaysen , La Fontaine Camille , Roudenko Olga , Beauvois Anthony , Passos Aline Ribeiro , Alloyeau Damien
Published: May 2024

Multimodal measurements involving time‐resolved Ni and Cu K edges Quick‐EXAFS, time‐resolved hyperspectral Full Field Quick‐EXAFS imaging with micrometer spatial resolution and aberration‐corrected Environmental Scanning Transmission Electron Microscopy have been performed over a NiCu catalyst used for the ethanol steam reforming reaction to establish structure‐activity relationships after regeneration. Activated catalysts are composed of 5–10 nm monometallic nickel nanoparticles and larger bimetallic randomly alloyed NiCu nanoparticles (NPs). After 3 h time on reactive stream, the monitoring of the regeneration of the coked deactivated catalyst at 500 °C by Full Field hyperspectral XAS imaging evidences that the oxidative propagation front affects faster metallic Ni species than metallic Cu ones as a result of the stronger oxophilic character of the former compared to the latter. Furthermore, ESTEM characterization of the deactivated catalyst when passing from H2 to O2 atmosphere at 500 °C for burning coke deposits evidences the fragmentation of the Ni and NiCu‐NPs driven by the Kirkendall effect in the encapsulated coked catalyst. The resulting increase of specific surface of active species is assumed to be responsible for the activity boost observed after regeneration.
Using PFG‐NMR and iGC to Study Diffusion and Adsorption in Heterogeneous Catalysts
Authors: Thompson Emma S. , Graf Katja , Brendlé Eric , Schreyer Hannah , De Baerdemaeker Trees , Parvulescu Andrei‐Nicolae , Kellermeier Matthias
Published: May 2024

Mass transport in porous systems is inherently complex, but at the same also of utmost importance for large‐scale industrial processes such as heterogeneous catalysis. For each of the different length scales of diffusive motion potentially involved or relevant, specific characterization techniques have been developed and successfully applied over the years – including, but not limited to pulsed field gradient nuclear magnetic resonance (PFG‐NMR) spectroscopy, zero length column (ZLC) measurements and inverse gas chromatography (iGC). While each of these methods can deliver detailed information on certain types of diffusion, none of them are capable of delivering a full picture of mass transport across multiple length scales alone. In this context, the goal of the present work was to evaluate the technical feasibility and characterization potential of the hyphenated combination of PFG‐NMR and iGC in a coupled experimental setup. Challenges, advantages, and limitations of this approach are discussed using the example of propane adsorption and diffusion in two different zeolite catalysts (Mg(H)‐ZSM‐5 and Silicalite‐1). It is shown that the simultaneous detection of self‐diffusion on short length scales (as probed by PFG‐NMR) and transport diffusion covering longer distances (detectable by iGC) cannot be realized under the used conditions, essentially due to the lack of kinetic control at higher reactant loadings. The key advantage of the developed coupled setup is the ability of the iGC instrument to provide defined and readily variable levels of catalyst loading, which enables advanced pore connectivity studies by PFG‐NMR and yields thermodynamic data on reactant adsorption at the same time.
Protocol: The effect of restorative justice interventions for young people on offending and reoffending: A systematic review
Authors: Gaffney Hannah , Jolliffe Darrick , Eggins Elizabeth , Ferreira Joana Gomes , Skinner Guy , Ariel Barak , Strang Heather
Published: May 2024

This is the protocol for a Campbell systematic review. The objectives are as follows. The primary aim of this mixed methods review is to synthesise the available evidence regarding the effectiveness of restorative justice interventions (RJIs) for reducing offending and reoffending outcomes in children and young people. We are also particularly interested in the impact of RJIs on children and young peoples' violent offending and violent reoffending. A second aim of the review is to examine whether the magnitude of effectiveness of RJIs may be influenced by study characteristics such as the population (e.g., age, ethnicity, or sex), the form of intervention (e.g., face‐to‐face mediation compared to family group conferencing), the place of delivery of the intervention (e.g., in independent office, in court), implementation (e.g., trained facilitators, dose, fidelity) and methodology (e.g., randomised controlled trial). The third aim of the review is to synthesise the qualitative evidence about RJ to develop a better contextual understanding of how these programmes may work and to elucidate factors that might increase the efficacy and implementation of RJ interventions. The specific research questions this systematic review aims to address are: (1) Do RJ interventions reduce children and young people's involvement in offending or reoffending relative to a comparison group? [RQ1]. (2) Is there variation in the impact of different RJ approaches on young people's involvement in offending or reoffending? [RQ2]. (3) Is there variation in the impact of RJIs on children and young people's offending or reoffending depending on the characteristics of the participants taking part in the RJI (e.g., sex, age, ethnicity)? [RQ3]. (4) What characteristics of RJIs, influence the effectiveness of RJIs for children and young people's offending and reoffending? [RQ4]. (5) What are the most notable barriers and facilitators, as reported by participants (e.g., the victims, children/young people, or mediators who have taken part in an evaluation of an RJI, or those children or young people who were meant to take part in an evaluation but ultimately did not), to the implementation of RJIs to reduce later offending or reoffending? [RQ5].
Neural network approaches for rumor stance detection: Simulating complex rumor propagation systems
Authors: Li Hao , Yang Wu , Wang Wei , Wang Huanran
Published: May 2024

This research introduces a comprehensive suite of neural network models designed to tackle the challenging task of rumor stance detection within the framework of simulating complex rumor propagation systems. Our objective centers on accurately modeling the intricate structures of rumor dialogues and propagation patterns to identify user stances—whether they are in support, denial, questioning, or commenting on rumors. Unlike conventional methods that rely on simplistic keyword targeting and fail in the nuanced context of social networks, our models delve into the complexities of dialogue and propagation structures, offering a more precise and insightful analysis of rumor dynamics. In addressing the simulation and modeling of complex systems, our approach specifically focuses on the elaborate interaction networks that underpin rumor spread and reception. While our methodology does not directly engage with brain‐like computing paradigms, it reflects a similar level of sophistication in handling layered and complex information flows, analogous to cognitive processes in understanding and interpreting human communications. Employing a hierarchical attention mechanism, our models adeptly parse through multitiered dialogue sequences, effectively distinguishing between various indicators of user stances. This allows for a nuanced and detailed representation of the rumor ecosystem, significantly enhancing the accuracy of stance detection. Through rigorous testing on diverse datasets, our approach has demonstrated superior performance over existing models, thereby establishing a new benchmark in the field.
Real‐Time FRET‐Based Measurements of Ca2+/PKA Dynamics in Plasma Membrane Microdomains of Primary Hippocampal Neurons
Authors: Sobolczyk‐Prawda Marta , Boczek Tomasz
Published: May 2024

Both Ca2+ and protein kinase A (PKA) are multifaceted and ubiquitous signaling molecules, essential for regulating the intricate network of signaling pathways. However, their dynamics within specialized membrane regions are still not well characterized. By using genetically encoded fluorescent indicators specifically targeted to distinct plasma membrane microdomains, we have established a protocol that permits observing Ca2+/PKA dynamics in discrete neuronal microdomains with high spatial and temporal resolution. The approach employs a fluorescence microscope with a sensitive camera and a dedicated CFP/YFP/mCherry filter set, enabling the simultaneous detection of donor‐acceptor emission and red fluorescence signal. In this detailed step‐by‐step guide, we outline the experimental procedure, including isolation of rat primary neurons and their transfection with biosensors targeted to lipid rafts or non‐raft regions of plasma membrane. We provide information on the necessary equipment and imaging setup required for recording, along with highlighting critical parameters and troubleshooting guidelines for real‐time measurements. Finally, we provide examples of the observed Ca2+ and PKA changes in specific cellular compartments. The application of this technique may have significant implications for studying cross‐talk between second messengers and their alterations in various pathological conditions. © 2024 Wiley Periodicals LLC.
Design and synthesis of novel tetrabromophthalimide derivatives as potential tubulin inhibitors endowed with apoptotic induction for cancer treatment
Authors: Abdel‐Motaal Marwa , Aldakhili Dalal A. , Abo Elmaaty Ayman , Sharaky Marwa , Mourad Mai A. E. , Alzahrani Abdullah Y. A. , Mohamed Nadia A. , Al‐Karmalawy Ahmed A.
Published: May 2024

Although various approaches exist for treating cancer, chemotherapy continues to hold a prominent role in the management of this disease. Besides, microtubules serve as a vital component of the cellular skeleton, playing a pivotal role in the process of cell division making it an attractive target for cancer treatment. Hence, the scope of this work was adapted to design and synthesize new anti‐tubulin tetrabromophthalimide hybrids (3‐17) with colchicine binding site (CBS) inhibitory potential. The conducted in vitro studies showed that compound 16 displayed the lowest IC50 values (11.46 µM) at the FaDu cancer cell lines, whereas compound 17 exhibited the lowest IC50 value (13.62 µM) at the PC3 cancer cell line. However, compound 7b exhibited the lowest IC50 value (11.45 µM) at the MDA‐MB‐468 cancer cell line. Moreover, compound 17 was observed to be the superior antitumor candidate against all three tested cancer cell lines (MDA‐MB‐468, PC3, and FaDu) with IC50 values of 17.22, 13.15, and 13.62 µM, respectively. In addition, compound 17 showed a well‐established upregulation of apoptotic markers (Caspases 3, 7, 8, and 9, Bax, and P53). Moreover, compound 17 induced downregulation of the antiapoptotic markers (MMP2, MMP9, and BCL‐2). Furthermore, the colchicine binding site inhibition assay showed that compounds 15a and 17 exhibited particularly significant inhibitory potentials, with IC50 values of 23.07 and 4.25 µM, respectively, compared to colchicine, which had an IC50 value of 3.89 µM. Additionally, cell cycle analysis was conducted, showing that compound 17 could prompt cell cycle arrest at both the G0‐G1 and G2‐M phases. On the other hand, a molecular docking approach was applied to investigate the binding interactions of the examined candidates compared to colchicine towards CBS of the β‐tubulin subunit. Thus, the synthesized tetrabromophthalimide hybrids can be regarded as outstanding anticancer candidates with significant apoptotic activity.
Applying causal reasoning to investigate multicausality in microbial systems
Authors: Potter Teal S. , Zalewski Zachary , Miao Max , Allsup Cassandra , Thompson Kathleen M. , Hayden Daniel , George Isabelle , Lankau Richard A. , Lankau Emily W.
Published: May 2024

Microbial communities contribute to many essential ecological functions, from carbon cycling in soil to healthy functioning of the human body. Yet, determining how the make‐up of microbial communities is causally linked to a particular function remains a huge challenge. Despite improved tools for characterizing microbiomes at increasingly finer phylogenetic and functional scales, researchers are still unable to perform direct experimental hypothesis testing as is performed in plant and animal ecology. However, microbial ecology is not the only scientific field tasked with drawing firm causal inferences from correlational data. Here we introduce microbial ecologists to a framework used by epidemiologists: the Bradford Hill Causal Criteria. Hill posited that as a field accrues different types of evidence to support a hypothesis, it increases confidence in claiming that the hypothesized relationship is causal. A set of nine criteria help distinguish different types of evidence. Our goal was to illustrate how these causal criteria can be used in microbial ecology to retrospectively evaluate a body of research to determine the strength of a causal claim and judge the value of future research directions. We illustrate how this framework can help researchers organize their understanding of a body of literature to reveal knowledge gaps and analytical approaches that have been underutilized. We then discuss the types of causality and illustrate how investigating multicausal systems requires an updated application of older frameworks that assume one causal agent is at play for each functional outcome. We also examine analytical approaches that are appropriate for distinguishing the types of causality.