bluuebunny/crossref_metadata_2025 huggingface dataset:
Determination of parabens in wastewater samples via robot‐assisted dynamic single‐drop microextraction and liquid chromatography–tandem mass spectrometry
Authors: Bocelli Marcio David , Vargas Medina Deyber Arley , Rodriguez Julie Paulin García , Lanças Fernando Mauro , Santos‐Neto Álvaro José
Published: May 2022

Dynamic single‐drop microextraction (SDME) was automatized employing an Arduino‐based lab‐made Cartesian robot and implemented to determine parabens in wastewater samples in combination with liquid chromatography–tandem mass spectrometry. A dedicated Arduino sketch controls the auto‐performance of all the stages of the SDME process, including syringe filling, drop exposition, solvent recycling, and extract collection. Univariate and multivariate experiments investigated the main variables affecting the SDME performance, including robot‐dependent and additional operational parameters. Under selected conditions, limit of detections were established at 0.3 µg/L for all the analytes, and the method provided linear responses in the range between 0.6 and 10 µg/L, with adequate reproducibility, measured as intraday relative standard deviations (RSDs) between 5.54% and 17.94%, (n = 6), and inter‐days RSDs between 8.97% and 16.49% (n = 9). The robot‐assisted technique eased the control of dynamic SDME, making the process more feasible, robust, and reliable so that the developed setup demonstrated to be a competitive strategy for the automated extraction of organic pollutants from water samples.
Determination of multiclass pesticides in river sediments via matrix solid‐phase dispersion extraction and gas chromatography–tandem mass spectrometry
Authors: Mateus Elizabeth Gonzalez , Vargas Nelson Omar , Rodriguez Julie Paulin Garcia
Published: May 2022

A fast and environment‐friendly analytical method was implemented to determine multiclass pesticides in river sediments. Twenty‐three pesticides—organochlorine pesticides, organophosphorus pesticides, and triazines—were extracted via matrix solid‐phase dispersion (MSPD) and analyzed by gas chromatography–tandem mass spectrometry (GC–MS/MS). Florisil demonstrated excellent analytes uptake capability as the extractant phase, with suitable selectivity for treating complex sediment samples. Under defined extraction conditions, the MSPD–GC–MS/MS method demonstrated robustness in the n inter‐day analysis of sediments from different sources, providing limit of quantifications (LOQs) between 5 and 15 ng/g, linear responses in the range between LOQs and 150 ng/g, extraction recoveries of 71%–106%, and precision, assessed as relative standard deviation below 20%. The MSPD significantly reduced samples and solvents’ consumption, providing critical environmental gains compared to traditional extraction methods like Soxhlet. Finally, the method was applied to analyze sediment samples from three different collection areas of the Subachoque River (Cundinamarca, Colombia), demonstrating a fast, efficient, confident, and profitable analytical tool for pollution control and monitoring in environmental samples. The method allowed us to determine the current use in Colombia of banned pesticides under the 2001 Stockholm Convention.
Real‐time traceability of sorghum origin by soldering iron‐based rapid evaporative ionization mass spectrometry and chemometrics
Authors: Liu Tong , Wang Wei , He Muyi , Chen Fengming , Liu Jialing , Yang Minli , Guo Wei , Zhang Feng
Published: May 2022

Sorghum is an important grain with a high economic value for liquor production. Tracing the geographical origin of sorghum is vital to guarantee the liquor flavor. Soldering iron‐based rapid evaporative ionization mass spectrometry (REIMS) combined with chemometrics was developed for the real‐time discrimination of the sorghum's geographical origin. The working conditions of soldering iron‐based ionization were optimized, and then the obtained MS profiling data were processed using chemometrics analysis methods, including principal component analysis–linear discriminant analysis and orthogonal projection to latent structures discriminant analysis (OPLS‐DA). A recognition model was established, and discriminations of sorghum samples from 10 provinces in China were achieved with a correct rate higher than 90%. On the basis of OPLS‐DA, the specific ions of m/z 279.2327, 281.2479, and 283.2639 had relatively strong discrimination power for the geographical origins of sorghum. The developed method was successfully applied in the discrimination of sorghum origins. The results indicated that the soldering iron‐based REIMS technique combined with chemometrics is a useful tool for direct, fast, and real‐time ionization of poor conductivity samples and acquisition of metabolic profiling data.
Continuous model averaging for benchmark dose analysis: Averaging over distributional forms
Authors: Wheeler Matthew W. , Cortiñas Abrahantes Jose , Aerts Marc , Gift Jeffery S. , Allen Davis Jerry
Published: May 2022

When estimating a benchmark dose (BMD) from chemical toxicity experiments, model averaging is recommended by the National Institute for Occupational Safety and Health, World Health Organization and European Food Safety Authority. Though numerous studies exist for model average BMD estimation using dichotomous responses, fewer studies investigate it for BMD estimation using continuous response. In this setting, model averaging a BMD poses additional problems as the assumed distribution is essential to many BMD definitions, and distributional uncertainty is underestimated when one error distribution is chosen a priori. As model averaging combines full models, there is no reason one cannot include multiple error distributions. Consequently, we define a continuous model averaging approach over distributional models and show that it is superior to single distribution model averaging. To show the superiority of the approach, we apply the method to simulated and experimental response data.
Assessing the environmental benefits of battery packs from multi‐vehicle and multi‐region perspective: Aiming for lightweight and carbon neutrality
Authors: Li Xi , Wu Haohui , Hu Yuchen , Liu Hui , Yu Yajuan , Huang Kai , Zhang Zhiqi , Xue Bingya , Gong Yuan
Published: May 2022

Vehicle lightweight and carbon neutrality turn out to be the critical goals in developing new energy vehicles. As an important part of electric vehicles, power battery packs have an impact on the environment. In this study, multiple environmental assessment indicators were grouped into a comprehensive index, namely the green characteristic index, and the green characteristic index was used to comprehensively evaluate the environmental impact of 11 kinds of battery packs. This study calculates and analyzes the environmental impact values of battery packs in different regions for four types of small, medium, intermediate, and limousine cars. Finally, the uncertainty analysis was carried out. Research has found that micro battery packs have a lower potential environmental impact than advanced battery packs, so smaller, more energy‐efficient battery electric vehicles (BEVs) generally perform better than larger BEVs for vehicle models. During the operation stage of the battery pack, the environmental impact value of carbon footprint and ecological footprint is greatly affected by the regional power structure. Running the battery pack in China will generate higher carbon footprint and ecological footprint. In addition, the green characteristic index is more affected by the stage of use. When the scene is switched, the larger the model of the electric vehicle, the more obvious its environmental emission reduction capability. This highlights the benefits of high‐efficiency electrical structures in large electric vehicles, which can reduce environmental impact by increasing lifetime and charging efficiency, reducing the loss of transport power in the area, and improving the weight‐to‐energy relationship for BEVs.
Greening of roofs as an adaptive measure for climate change
Authors: Radujković Milana , Papuga Saša
Published: May 2022

The negative impact of climate change, especially in urban areas, requires the use of new construction technologies and materials, harmonized with environmental aspects. One such approach is the construction of green areas on flat roofs of buildings. The positive impact of greening roofs is reflected in several important aspects: environmental, economic, and social. The pilot area that was researched is characterized by a high coefficient of construction. All this affects the creation of the so‐called heat island and bad microclimatic conditions, as well as the lack of areas that can be arranged for the rest of the local population. In addition to the impact of this type of urban planning on the preservation of the city's environment, the costs of building green roofs are also presented. In the final part of the article, the life cycle impact assessment (LCIA) of green roof layers is presented, using the Eco‐indicator method to show the environmental impact of a materials based on data from a life cycle assessment.
Effect of poly(acrylic acid) binder on the stability of sulfur‐enriched crystalline Mo3S13 clusters for high capacity of Li‐ion batteries
Authors: Lee Hae Ri , Lee Youn‐Ki , Park Gwan Gyu , Lee Sungho , Joh Han‐Ik
Published: May 2022

Molybdenum sulfide (MoSx)‐based materials have been extensively studied as a potential alternative of low‐capacity graphite anode, owing to their remarkable capacity through intercalation and conversion reactions. However, these materials should be electrochemically activated at a low potential in first discharge and simultaneously degrade, owing to their inert basal plane and unstable sulfur configuration, respectively, leading to unexpectedly low performance. Hence, it is necessary to apply sulfur‐enriched crystalline Mo3S13 clusters as an anode material to increase the number of active sites and energy densities. Unlike MoS2 possessing only terminal sulfur, Mo3S13 clusters have higher sulfur content with various and stable configuration in their structure, which can act as additional active sulfur sites. To realize an electrode with high energy density, we used the Mo3S13 clusters without any carbon supports as active materials. In the electrode preparation, we confirmed that employing poly(acrylic acid) and isopropyl alcohol as a binder and solvent, respectively, was appropriate for retaining the cluster crystallinity, resulting in the enhanced cycling stability. The Mo3S13 cluster‐based electrode as a carbon‐free electrode exhibited capacity of 1192 mAh g−1 at 0.1 A g−1 and good C‐rate capability. The significant capacity variation with the selective removal of sulfur configuration in Mo3S13 clusters indicates that the increased sulfur contents were provided as additional sources for (de)lithiation.
Mn2V2O7 spiked ball‐like material as bifunctional oxygen catalyst for zinc‐air batteries
Authors: Krishna B. N. Vamsi , Kammari Sasidharachari , Yu Jae Su
Published: May 2022

Hierarchical micro/nanostructures are believed to be magnificent electrocatalyst materials capable of competing with noble metals and the most expensive catalyst materials for oxygen reduction reaction (ORR) and oxygen evolution reaction (OER). Herein, Mn2V2O7‐based hierarchical spiked ball structures (MVO SBs) were synthesized using a simple hydrothermal technique as a bifunctional oxygen catalyst for rechargeable Zn‐air batteries. The linear sweep voltammetry by a rotating disc electrode was used to investigate the ORR and OER properties and their mechanisms, and the charge transfer mechanism was also studied by electrochemical impedance spectroscopy analysis. When compared with platinum with carbon black (Pt/C), the MVO SB catalyst material exhibited comparable ORR and OER properties. Furthermore, the MVO SB material revealed a 4e− transfer pathway in an electrolyte solution. Furthermore, the prepared MVO SB material demonstrated a lower charge‐discharge voltage gap when compared with Pt/C material, which is lower than 180 mV at 45 mA cm−2. The cycling test result of MVO SB catalyst sample revealed excellent cycling stability over 50 charging and discharging cycles (~800 min) than the Pt/C sample (30 cycles [~520 min]). The good catalytic activity and excellent structural stability of the MVO SB material are especially due to the more active sites enhanced by the unique spiked ball‐like morphology and high specific surface area (11.70 m2 g−1) properties. The achieved results suggest that the synthesized catalyst material could be employed as an oxygen catalyst material for rechargeable Zn‐air batteries.
Proposal and evaluation of a solar‐based polygeneration system: Development, exergoeconomic analysis, and multi‐objective optimization
Authors: Azizi Saeid , Nedaei Navid , Yari Mortaza
Published: May 2022

This article reviews a novel poly‐generation system based on a solar power tower for power generation, cooling capacity, freshwater creation, and hydrogen production. Comprehensive thermodynamic assessments are conducted to determine the performance of the proposed model. At basic operating circumstances, the simulation results in the generation of 7.871 MW of electricity, 10.05 kg/s of drinking water, 8.788 MW cooling capacity, and hydrogen at a rate of 0.2445 kg/h accompanied by 41.18% energy efficiency and a sum unit cost of products of 6.583 $/GJ. Then, parametric research is going to determine the influence of the proposed system's primary parameters on its performance. Additionally, the gray wolf optimization technique is used to optimize the exergetic efficiency with sum unit cost products and freshwater rate of production under various multi‐objective optimization situations. The first optimization scenario's results indicate that the 53.06% exergetic efficiency and 5.44 $/GJ sum unit cost products are the optimum point, and in the second optimization scenario, the optimum point is 47.64% exergetic efficiency and 9.61 kg/s freshwater production rate. Finally, the performance of the suggested method is demonstrated using a case study of New York, United States of America, and represented the maximum performance in July with 5.2 MW net power and 39.6% exergetic efficiency.
A novel reed‐leaves like aluminum‐doped manganese oxide presetting sodium‐ion constructed by coprecipitation method for high electrochemical performance sodium‐ion battery
Authors: Cai Kedi , Jing Xueqin , Zhang Yuting , Li Lan , Lang Xiaoshi
Published: May 2022

In this paper, Al‐doped manganese oxide with presetting sodium‐ion (NaxMnyAlzO2) is synthesized by a facile coprecipitation method and combines with Na3V2(PO4)3 cathode active materials for sodium‐ion battery in order to optimize the electrochemical performances. During the coprecipitation, a stable NaxMnyAlzO2 polynary metal oxide with Mn and Al molar ratio to 3:1 shows a special micromorphology similar to that of reed leaves, which makes it have a more ideal electrochemical specific surface area and ample mass transfer channels for rapid sodium‐ion insertion and desorption. Electrochemical test indicates that reed‐leaves like NaxMnyAlzO2 polynary metal oxides as active material for sodium‐ion capacitor exhibit a very excellent reversibility and low electrochemical (Rct = 434 Ω) and concentration polarization (DNa+ = 2.2728 × 10−11 cm2 s−1). Specific discharge capacity can achieve to 73.76 F g−1 at 100 mA g−1 current density corresponding to 368.8 m2 g−1 electrochemical specific surface area. After 200 cycles, the capacity retention rate can be maintained at 81.81%. In addition, reed‐leaves like NaxMnyAlzO2 polynary metal oxide playing a good depolarization role combined with Na3V2(PO4)3 active materials in the mass ratio to 7:3 can bring about the most excellent electrochemical performances.
Blowout dynamics in lime‐rich and lime‐poor coastal dunes in the Netherlands
Authors: Kooijman Annemieke , Schouten Michelle , Postema Agnethe , Cammeraat Erik , Arens Bas
Published: May 2022

Blowouts can mitigate the negative effects of acidification in the topsoil, especially in industrialized countries with high atmospheric nitrogen (N) deposition. However, blowout activity may differ between lime‐rich and lime‐poor dunes, which creates different regional responses and interactions between processes and patterns.

To further explore this, five Dutch dune sites were selected over the gradient from lime‐rich and lime‐poor dunes. We mapped blowout activity in 5 years between 1996 and 2017 with aerial photographs, and used transport potential, atmospheric N‐deposition and rabbit density as explanatory variables. We also studied soil and plant parameters in the field in different stages of succession.

All sites showed fluctuations, but blowout activity net increased in the lime‐rich sites, and decreased in the lime‐poor sites. Differences in blowout activity could not be explained by sand transport potential, which differed between years, but not sites. Differences in blowout activity could to some extent be explained by rabbit density and exceedance of the critical N load, although the transition site between lime‐rich and lime‐poor dunes showed high blowout activity despite low rabbit density.

Differences in blowout activity between lime‐rich and lime‐poor dunes were also related to differences in topsoil chemistry, especially with respect to lime content, Fe content and different forms of phosphorus (P). High pH was a key factor, which reduced sensitivity to high N deposition through reduced P‐availability to the vegetation, higher proportion of arbuscular mycorrhizal plants, which may improve food quality for rabbits, and lower root biomass, which may increase erodibility of the dune soil. High pH and low P availability may even occur in lime‐poor dunes with a little lime, as long as blowouts stay active and counteract acidification. However, when pH values drop below 6.5, P availability to the vegetation will increase and start feedback processes leading to blowout stabilization.
Confinement forest‐based enhanced min‐min and max‐min technique for secure multicloud task scheduling
Authors: Jawade Prashant , Borkar Gautam M. , Ramachandram S.
Published: May 2022

Task scheduling is the most important issue in the cloud computing environment since its implementation is largely dependent on it. However, due to its weaknesses in energy consumption for resource usage, high computational complexity, and memory needs, Virtual Machine (VM) cannot manage large amounts of workload. Furthermore, by reducing the number of active hosts' data assignments while utilizing the resources, a security risk occurs. To address these challenges, a Grey‐wolf with Deadline Restrictions approach was developed to allocate tasks and resources in less time while maintaining fixed interval constraints. Moreover, the Cognizing Anomaly detection method is utilized to find even the most recent abnormalities in the data. Furthermore, using the Confinement Forest‐based augmented Min‐Min and Max‐Min approach, the task scheduling process provides an efficient workload balancing mechanism by restricting makespan, energy consumption, load balancing, and fault tolerance. In contrast, enabling a security‐aware multicharacteristic‐based heuristic technique is employed to provide secure placement of data in the appropriate location. The proposed technique outperforms existing methods in terms of makespan and memory consumption.
Dynamic placement of virtual machines using an improved multi‐objective teaching‐learning based optimization algorithm in cloud
Authors: Wang Na , Osmani Amjad , Mirzaei Siamak
Published: May 2022

Recently, cloud computing is growing rapidly and contributing to the realization of other technologies. Cloud data centers use a lot of energy to host applications, which leads to high operating costs and increased carbon dioxide emissions into the environment. Dynamic consolidation of virtual machines (VMs) into the minimum number of physical servers is an efficient approach to managing energy consumption in cloud. Virtual machines placement (VMP) is an important problem in the proper consolidation of VMs and is the most common way to improve resource utilization. In VMP problem, VMs are consolidated to minimize the number of active physical servers. This consolidation is done using migration of VMs. After placement, the VMs execute on selected physical servers and the underloaded physical servers are off to optimize energy consumption. Basically, the purpose of VMP is to allocate a set of VMs to a subset of physical servers, taking into account some objectives such as reducing energy consumption and violating the service level agreement (SLA). In this article, an improved teaching‐learning based optimization (TLBO) algorithm is formulated to solve VMP as a multi‐objective problem, which we call VMP‐TLBO. VMP‐TLBO can perform optimal placement of migrated VMs to physical servers with the purpose of reducing energy consumption and SLA violation. VMP‐TLBO is implemented in MATLAB and the experimental results show that proposed algorithm does not violate SLA and compared to the best equivalence algorithm (ie, PAPSO), it improves energy consumption and SLA violation by 1.8% and 5.6%, respectively. In addition, VMP‐TLBO consolidates migrated VMs into the minimum number of physical servers to minimize the number of overloaded hosts as much as possible.
Power‐type derivatives for rough volatility with jumps
Authors: Wang Liang , Xia Weixuan
Published: May 2022

This paper proposes a novel analytical pricing–hedging framework for volatility derivatives which simultaneously takes into account rough volatility and volatility jumps. Directly targeting the instantaneous variance of a risky asset, our model consists of a generalized fractional Ornstein–Uhlenbeck process driven by a Lévy subordinator and an independent sinusoidal‐composite Lévy process, and allows the characteristic function of average forward variance to be obtainable in semiclosed form, without having to invoke any geometric‐mean approximations. Pricing–hedging formulae are proposed for a general class of power‐type derivatives, in the spirit of numerical Fourier transform. A comparative empirical study is conducted on two independent recent data sets on Volatility Index options, before and during the COVID‐19 pandemic, to demonstrate that the proposed framework is highly amenable to efficient model calibration under various choices of kernels. The price dynamics of the underlying asset can be readily considered and the possibility of studying rough volatility of volatility is given as well.
The zinc finger transcription factor Sall1 is required for the early developmental transition of microglia in mouse embryos
Authors: Scott Earl Parker , Breyak Emma , Nishinakamura Ryuichi , Nakagawa Yasushi
Published: May 2022

Microglia play many critical roles in neural development. Recent single‐cell RNA‐sequencing studies have found diversity of microglia both across different stages and within the same stage in the developing brain. However, how such diversity is controlled during development is poorly understood. In this study, we first found the expression of the macrophage mannose receptor CD206 in early‐stage embryonic microglia on mouse brain sections. This expression showed a sharp decline between E12.5 and E13.5 across the central nervous system. We next tested the roles of the microglia‐expressed zinc finger transcription factor SALL1 in this early transition of gene expression. By deleting Sall1 specifically in microglia, we found that many microglia continued to express CD206 when it is normally downregulated. In addition, the mutant microglia continued to show less ramified morphology in comparison with controls even into postnatal stages. Thus, SALL1 is required for early microglia to transition into a more mature status during development.
Alterations in white matter network dynamics in patients with schizophrenia and bipolar disorder
Authors: Wang Bin , Zhang Shanshan , Yu Xuexue , Niu Yan , Niu Jinliang , Li Dandan , Zhang Shan , Xiang Jie , Yan Ting , Yang Jiajia , Wu Jinglong , Liu Miaomiao
Published: May 2022

Emerging evidence suggests white matter network abnormalities in patients with schizophrenia (SZ) and bipolar disorder (BD), but the alterations in dynamics of the white matter network in patients with SZ and BD are largely unknown. The white matter network of patients with SZ (n = 45) and BD (n = 47) and that of healthy controls (HC, n = 105) were constructed. We used dynamics network control theory to quantify the dynamics metrics of the network, including controllability and synchronizability, to measure the ability to transfer between different states. Experiments show that the patients with SZ and BD showed decreasing modal controllability and synchronizability and increasing average controllability. The correlations between the average controllability and synchronizability of patients were broken, especially for those with SZ. The patients also showed alterations in brain regions with supercontroller roles and their distribution in the cognitive system. Finally, we were able to accurately discriminate and predict patients with SZ and BD. Our findings provide novel dynamic metrics evidence that patients with SZ and BD are characterized by a selective disruption of brain network controllability, potentially leading to reduced brain state transfer capacity, and offer new guidance for the clinical diagnosis of mental illness.
Extracting electrophysiological correlates of functional magnetic resonance imaging data using the canonical polyadic decomposition
Authors: Mann‐Krzisnik Dylan , Mitsis Georgios D.
Published: May 2022

The relation between electrophysiology and BOLD‐fMRI requires further elucidation. One approach for studying this relation is to find time‐frequency features from electrophysiology that explain the variance of BOLD time‐series. Convolution of these features with a canonical hemodynamic response function (HRF) is often required to model neurovascular coupling mechanisms and thus account for time shifts between electrophysiological and BOLD‐fMRI data. We propose a framework for extracting the spatial distribution of these time‐frequency features while also estimating more flexible, region‐specific HRFs. The core component of this method is the decomposition of a tensor containing impulse response functions using the Canonical Polyadic Decomposition. The outputs of this decomposition provide insight into the relation between electrophysiology and BOLD‐fMRI and can be used to construct estimates of BOLD time‐series. We demonstrated the performance of this method on simulated data while also examining the effects of simulated measurement noise and physiological confounds. Afterwards, we validated our method on publicly available task‐based and resting‐state EEG‐fMRI data. We adjusted our method to accommodate the multisubject nature of these datasets, enabling the investigation of inter‐subject variability with regards to EEG‐to‐BOLD neurovascular coupling mechanisms. We thus also demonstrate how EEG features for modelling the BOLD signal differ across subjects.
Multiomics identifies the link between intratumor steatosis and the exhausted tumor immune microenvironment in hepatocellular carcinoma
Authors: Murai Hiroki , Kodama Takahiro , Maesaka Kazuki , Tange Shoichiro , Motooka Daisuke , Suzuki Yutaka , Shigematsu Yasuyuki , Inamura Kentaro , Mise Yoshihiro , Saiura Akio , Ono Yoshihiro , Takahashi Yu , Kawasaki Yota , Iino Satoshi , Kobayashi Shogo , Idogawa Masashi , Tokino Takashi , Hashidate‐Yoshida Tomomi , Shindou Hideo , Miyazaki Masanori , Imai Yasuharu , Tanaka Satoshi , Mita Eiji , Ohkawa Kazuyoshi , Hikita Hayato , Sakamori Ryotaro , Tatsumi Tomohide , Eguchi Hidetoshi , Morii Eiichi , Takehara Tetsuo
Published: May 2022

Background and Aims:

Immunotherapy has become the standard‐of‐care treatment for hepatocellular carcinoma (HCC), but its efficacy remains limited. To identify immunotherapy‐susceptible HCC, we profiled the molecular abnormalities and tumor immune microenvironment (TIME) of rapidly increasing nonviral HCC.

Approaches and Results:

We performed RNA‐seq of tumor tissues in 113 patients with nonviral HCC and cancer genome sequencing of 69 genes with recurrent genetic alterations reported in HCC. Unsupervised hierarchical clustering classified nonviral HCCs into three molecular classes (Class I, II, III), which stratified patient prognosis. Class I, with the poorest prognosis, was associated with TP53 mutations, whereas class III, with the best prognosis, was associated with cadherin‐associated protein beta 1 (CTNNB1) mutations. Thirty‐eight percent of nonviral HCC was defined as an immune class characterized by a high frequency of intratumoral steatosis and a low frequency of CTNNB1 mutations. Steatotic HCC, which accounts for 23% of nonviral HCC cases, presented an immune‐enriched but immune‐exhausted TIME characterized by T cell exhaustion, M2 macrophage and cancer‐associated fibroblast (CAF) infiltration, high PD‐L1 expression, and TGF‐β signaling activation. Spatial transcriptome analysis suggested that M2 macrophages and CAFs may be in close proximity to exhausted CD8+ T cells in steatotic HCC. An in vitro study showed that palmitic acid‐induced lipid accumulation in HCC cells upregulated PD‐L1 expression and promoted immunosuppressive phenotypes of cocultured macrophages and fibroblasts. Patients with steatotic HCC, confirmed by chemical‐shift MR imaging, had significantly longer PFS with combined immunotherapy using anti–PD‐L1 and anti‐VEGF antibodies.

Conclusions:

Multiomics stratified nonviral HCCs according to prognosis or TIME. We identified the link between intratumoral steatosis and immune‐exhausted immunotherapy‐susceptible TIME.
Genetic modifiers of penetrance to liver endpoints in HFE hemochromatosis: Associations in a large community cohort
Authors: Pilling Luke C. , Atkins Janice L. , Melzer David
Published: May 2022

Background

The iron overload condition hereditary hemochromatosis (HH) can cause liver cirrhosis and cancer, diabetes, and arthritis. Males homozygous for the p.C282Y missense mutation in the Homeostatin Iron Regulator (HFE) gene have greatest risk; yet, only a minority develop these conditions. We aimed to determine whether common genetic variants influencing iron levels or liver disease risk in the general population also modify clinical penetrance in HFE p.C282Y and p.H63D carriers.

Methods

We studied 1294 male and 1596 female UK Biobank HFE p.C282Y homozygous participants of European ancestry with medical records up to 14 years after baseline assessment. Polygenic scores quantified genetic effects of blood iron biomarkers and relevant diseases (identified in the general population). Analyses were also performed in other HFE p.C282Y/p.H63D genotype groups.

Results

In male p.C282Y homozygotes, a higher iron polygenic score increased the risk of liver fibrosis or cirrhosis diagnoses (odds ratio for the top 20% of iron polygenic score vs. the bottom 20% = 4.90: 95% confidence intervals, 1.63–14.73; p = 0.005), liver cancer, and osteoarthritis but not diabetes. A liver cirrhosis polygenic score was associated with liver cancer diagnoses. In female p.C282Y homozygotes, the osteoarthritis polygenic score was associated with increased osteoarthritis diagnoses and type‐2 diabetes polygenic score with diabetes. However, the iron polygenic score was not robustly associated with diagnoses in p.C282Y female homozygotes or in other p.C282Y/p.H63D genotypes.

Conclusions

HFE p.C282Y homozygote penetrance to clinical disease in a large community cohort was partly explained by common genetic variants that influence iron and risks of related diagnoses in the general population, including polygenic scores in HH screening and diagnosis, may help in estimating prognosis and treatment planning.
Why not both? Using multiple measures to improve reliability in infant studies
Authors: Havron Naomi
Published: May 2022

Byers‐Heinlein et al. suggest six practical solutions to increase reliability in infant experimentation. Here I add a seventh solution, which is recording multiple measures from the same infant and trial. Recording multiple measures is relatively easy to implement in many cases, and has additional advantages. I survey several ways to accomplish this and recommend preregistering hypotheses and analyses plans beforehand to avoid adding researcher's degrees of freedom. Multiple measurements are complementary to Byers‐Heinlein et al.'s (2021) solutions and should be used in tandem with them to further the quality of research in the field.
Evaluation of effectiveness, acceptability and safety of thermal ablation in the treatment of cervical neoplasia in Burundi
Authors: Sauvaget Catherine , Bazikamwe Sylvestre , Lucas Eric , Ndayikengurukiye Athanase , Harerimana Salvator , Barango Prebo
Published: May 2022

This longitudinal study aimed at evaluating the effectiveness, acceptability and safety of the thermal ablation procedure (TA) in the treatment of cervical neoplasia. Women referred to the Gynaecology ward for symptoms or for opportunistic screening were assessed by visual inspection with acetic acid (VIA) and colposcopy. Those with lesions eligible to ablation were counselled and treated by TA. They were inquired about the level of pain during the procedure, and their level of satisfaction. Patients were followed up at 6 weeks for any complication and reassessed by VIA and colposcopy at 12 months for any persistent or recurrent lesion and for any adverse event. A total of 86 women with a positive VIA test were included in the study. The mean age was 46 years (28‐61 years). Most of the women did not complain about any adverse event during treatment; one‐third presented mild pain or cramp. At the 6‐week visit, watery discharge was the main adverse event reported. All women were highly satisfied with TA and most of them would recommend it. At the 12‐month visit, 82 women were examined (95% follow‐up rate), and the overall cure rate was 96% (low‐grade lesions: 98%; high‐grade lesions: 94%). Three women presented low‐ and high‐grade lesions that were treated by TA. No major adverse event or hospitalisation after the treatment was reported. In conclusion, TA was an effective procedure with a high cure rate at the 1‐year follow‐up visit. It was acceptable and safe, with only minor short‐term side‐effects reported and with a high satisfaction rate among the patients.
Genomic landscape of microsatellite instability in Chinese tumors: A comparison of Chinese and TCGA cohorts
Authors: Li Ziyu , Jia Yongning , Zhu Honglin , Yuan Hongling , Xing Xiaofang , Xin Yaqun , Ma Tonghui , Pang Fei , Zhang Yan , Hu Ying , Jia Shuqin , Ji Jiafu
Published: May 2022

Microsatellite instability (MSI) is an important biomarker for predicting the response to immunotherapy and prognosis that mainly results from a defective DNA mismatch repair (MMR) system and strongly correlates with high tumor mutation burden (TMB). Herein, we developed a novel method that integrates MSI score, MMR mutation status and TMB level to identify MSI status from next‐generation sequencing (NGS) data. The novel method displays a sensitivity of 96.80%, a specificity of 99.96% and an overall accuracy of 99.89%, compared to current standards. Using our novel method, we analyzed 11 395 Chinese patients across 30 cancer types. High microsatellite instability (MSI‐H) was detected in 210 (1.84%) samples in 18 of 30 cancer types assessed. Mutations in ACVR2A (73%), KMT2D (68%), KMT2B (66%) and MMR‐related genes (MLH1, MSH2, MSH6 and PMS2) were enriched in MSI‐H samples. Furthermore, MSI‐H samples were more likely to have high TMB (P < .01), high PD‐L1 expression (P < .05) and more tumor‐infiltrating immune cells than microsatellite‐stable (MSS) samples. Compared to the TCGA patients, the prevalence of MSI‐H in the Chinese cohort was significantly lower in colorectal, gastric and pancreatic cancer, while significantly higher in urinary and prostate cancer. Mutations in ACVR2A (73% vs 28%, P < .01) and MMR‐related genes (51.4% vs 21.3%, P < .01) were significantly higher in the Chinese population. Thus, our study suggests the fraction of MSI‐H attributable to MMR inactivation mutations were lower in European than in Chinese patients, while the proportion of MSI‐H due to other events may be higher.
Subcapsular renal hematoma after ureterorenoscopy
Authors: Harada Narumi , Yatsuda Junji , Kurahashi Ryoma , Fukushima Yumi , Segawa Takuya , Motoshima Takanobu , Murakami Yoji , Yamaguchi Takahiro , Sugiyama Yutaka , Kamba Tomomi
Published: May 2022

Introduction

Subcapsular renal hematoma after ureterorenoscopy using a holmium yttrium‐aluminum‐garnet laser is a rare complication. We experienced a case of subcapsular hematoma after ureterorenoscopy.

Case presentation

The patient was a 56‐year‐old man with a history of hypertension and coronary vasospastic angina, and he was taking antiplatelet drugs. He had the middle and lower calyx stones measured 36 mm in diameter of the right kidney. We performed ureterorenoscopy, which was completed about 2 h without intraoperative complications. We could not remove the stone completely. After the surgery, the patient developed a fever and complained of right back pain. Computed tomography showed several residual stones formed a stone street, obstructing the stent and resulting in grade 3 hydronephrosis. Furthermore, the right subcapsular renal hematoma infection had detected. Percutaneous hematoma drainage and percutaneous nephrostomy were performed.

Conclusion

Subcapsular renal hematoma after ureterorenoscopy is an uncommon complication but should be kept in mind.
A case of male perineal aggressive angiomyxoma with expressions of female hormone receptors
Authors: Hisano Mizuki , Matsuura Tomohiko , Kato Renpei , Maekawa Shigekatsu , Kato Yoichiro , Kanehira Mitsugu , Suzuki Masamichi , Nakayama Manabu , Takata Ryo , Obara Wataru
Published: May 2022

Introduction

Aggressive angiomyxoma is a rare mesenchymal tumor in females of reproductive age that occurs in the pelvis and perineal zone with a high risk of local infiltration and recurrence. Male aggressive angiomyxoma in perineal zone is very rare.

Case presentation

A 63‐year old male presented to our hospital with chief complaint of perineal mass. He was diagnosed with perineal lipoma by needle biopsy 3 years before. Computed tomography revealed a 16 cm perineal tumor without lymph node or distal metastasis. As the tumor had gradually increased, we performed tumor resection. The histological diagnosis of tumor using immunohistochemistry was aggressive angiomyxoma with complete resection. Moreover, expressions of both estrogen and progesterone receptors were recognized. No recurrence was seen 9 months after surgery.

Conclusion

Male aggressive angiomyxoma is a very rare tumor, which has expressions of female hormone receptors. Hormonal therapy might be effective for perioperative therapy or recurrence.
Oil prices, gasoline prices, and inflation expectations
Authors: Kilian Lutz , Zhou Xiaoqing
Published: May 2022

It has long been suspected, given the salience of gasoline prices, that fluctuations in gasoline prices shift households' 1‐year inflation expectations. Assessing this view empirically requires the use of dynamic structural models to quantify the cumulative effect of gasoline price shocks on household inflation expectations at each point in time. We find that, on average, gasoline price shocks account for 42% of the variation in these expectations. The cumulative increase in household inflation expectations from early 2009 to early 2013, in particular, is almost entirely explained by unexpectedly rising gasoline prices. However, there is no support for the view that the improved fit of the Phillips curve augmented by household inflation expectations during 2009–2013 is mainly explained by rising gasoline prices.
Automated reaction mechanisms and kinetics with the nudged elastic band method‐based AMK_Mountain and its description of the preliminary alkaline hydrolysis of nitrocellulose monomer
Authors: Zhang Guan , Li Jin , Liang Xinxin , Liu Zongkuan
Published: May 2022

To improve the transition state (TS) search capability in complex chemical environments, AMK_Mountain is constructed based on the automated reaction mechanisms and kinetics (AutoMeKin) package. AMK_Mountain does not distinguish the reaction type of the TSs, which is beneficial to obtaining a more comprehensive reaction mechanism. In this study, the first step of the alkaline hydrolysis process of nitrocellulose monomer was adopted as the research object, and 730 possible initial configurations are constructed and 22 TSs pass high‐level calculations. Energy difference and interaction region indicator reveal that the first step of alkaline hydrolysis is mainly the combination of nitrogen‐containing functional groups at the positions α and β with hydroxide anions, followed by the formation of nitric acid and the further loss of protons to form nitrate. Overall, in combination with GFN2‐xTB and ORCA, the AMK_Mountain technique provides a reliable method for the location of the TSs in complex environments.
Synthesis, crystal structure elucidation, DFT analysis, drug‐likeness and ADMET evaluation and molecular docking studies of triazole derivatives: Binary inhibition of spike protein and ACE2 receptor protein of COVID‐19
Authors: Murugavel Saminathan , Vasudevan Perumal , Chandrasekaran RaviKumar , Archana Vellingiri , Ponnuswany Alagusundaram
Published: May 2022

The recent incidence of terrible acute respiratory syndrome coronavirus 2 (SARS CoV‐2) has presently experienced some noteworthy mutations since its discovery in 2019 in Wuhan, China. The present research work focuses on the synthesis of three triazole derivatives (BMTPP, BMTTP, and BMTIP) and their inhibition activities against SARS‐Cov‐2 spike and ACE2 receptor proteins. The crystal structure for BMTTP was determined by the SCXRD method and optimized geometrical parameters for the three triazole derivatives were obtained by DFT calculations. HOMO‐LUMO, Global reactive descriptors [GRD], and Molecular electrostatic potential (MEP) investigations exposed that all three compounds have biological properties. The drug‐likeness ability of the synthesized compounds was examined using Molinspiration and a pre‐ADMET online Server. Further, to explore the binding nature of three synthesized compounds with SARS‐Cov‐2 spike proteins/ACE2 receptor molecular docking studies were executed. The outcomes we obtained from molecular docking simulation studies suggest that the synthesized triazole derivatives may be well utilized as curing medicines against COVID‐19. Ultimately, animal tests and precise clinical tests are required to prove the potent nature of these compounds against COVID‐19. Finally, the present outcomes must be proved to utilize in‐vitro and in‐vivo antiviral methods.
COVID‐19 and vulnerable populations
Authors: Lewis Rhonda K. , Martin Pamela P. , Guzman Bianca L.
Published: May 2022

At the time of this special issue, coronavirus disease 2019 (COVID‐19) is the leading cause of death in the United States and has contributed to millions of deaths worldwide. The world had no idea how the pandemic was going to impact our lives. COVID‐19 exposed the inequities in our world and the individuals that were most impacted by it: vulnerable populations. Vulnerable populations may be defined as those living in poverty, living with disability, and racial, ethnic, sexual, and gender minorities. Additionally, as community psychologists we understand that the impact of inequities do not appear singlehandedly since as human beings we do not exist in a vacuum and there are multiple factors that create our level of health and well‐being. Therefore, the idea of examining COVID‐19 in a syndemic framework allows us to explore how a synergistic epidemic (i.e., the aggregation of two or more concurrent or sequential epidemics or disease clusters in a population with biological interactions) exacerbates the prognosis and burden of disease, which can impact vulnerable populations simultaneously. The main goal of this special issue concentrates on how COVID‐19 had a synergistic impact on vulnerable populations and how these populations reacted and coped with these events.
Novel insight into the role of clusterin on intraocular pressure regulation by modifying actin polymerization and extracellular matrix remodeling in the trabecular meshwork
Authors: Soundararajan Avinash , Wang Ting , Ghag Sachin A. , Kang Min H. , Pattabiraman Padmanabhan P.
Published: May 2022

This study provides comprehensive mechanistic evidence for the role of clusterin, a stress‐response secretory chaperone protein, in the modulation of intraocular pressure (IOP) by regulating the trabecular meshwork (TM) actin cytoskeleton and the extracellular matrix (ECM). The pathological stressors on TM known to elevate IOP significantly lowered clusterin protein levels indicating stress‐related clusterin function loss. Small interfering RNA‐mediated clusterin loss in human TM cells in vitro induced actin polymerization and stabilization via protein kinase D1, serine/threonine‐protein kinase N2 (PRK2), and LIM kinase 1 (LIMK1), and the recruitment and activation of adhesome proteins including paxillin, vinculin, and integrin αV and β5. A complete loss of clusterin as seen in clusterin knockout mice (Clu‐/‐) led to significant IOP elevation at postnatal Day 70. Contrarily, constitutive clusterin expression using adenovirus (AdCLU) in HTM cells resulted in the loss of actin polymerization via decreased PRK2, and LIMK1 and negative regulation of integrin αV and β5. Furthermore, we found that AdCLU treatment in HTM cells significantly decreased the ECM protein expression and distribution by significantly increasing matrix metalloprotease 2 (MMP2) activity and lowering the levels of pro‐fibrotic proteins such as transforming growth factor‐β2 (TGFβ2), thrombospondin‐1 (TSP‐1), and plasminogen activator inhibitor‐1 (PAI‐1). Finally, we found that HTM cells supplemented with recombinant human clusterin attenuated the pro‐fibrotic effects of TGFβ2. For the first time this study demonstrates the importance of clusterin in the regulation of TM actin cytoskeleton ‐ ECM interactions and the maintenance of IOP, thus making clusterin an interesting target to reverse elevated IOP.
Recycling nutrients in the beef supply chain through circular manuresheds: Data to assess tradeoffs
Authors: Spiegal S. , Vendramini J. M. B. , Bittman S. , Silveira M. L. , Gifford C. , Rotz C. A. , Ragosta J. P. , Kleinman P. J. A.
Published: May 2022

Nutrient circularity can help supply chain participants meet sustainability targets. Across the segmented beef supply chain, opportunity exists to reinforce and introduce nutrient circularity by recycling surplus manure nutrients from cattle feedlots to lands where cattle feed is produced. We describe four datasets developed to evaluate options in U.S. and Canadian beef systems. The datasets delineate three “circular manuresheds,” each encompassing a hay‐grazing landscape where beef cattle are raised on grazingland and supplemented with hay grown nearby, and the distant feedlots where those cattle produce manure nutrients for potential import back to the hayfields. We selected the hay‐grazing landscapes of New Mexico, USA; Florida, USA; and western Canada (Manitoba, Saskatchewan, Alberta, British Columbia) because of their significant grazingland production and potential to substitute feedlot manure for commercial fertilizer on hayfields. In each circular manureshed, the manure nutrients from major feedlot destinations could supply a considerable proportion of the P used by hay for grazing cattle: 34% of the P requirements in New Mexico, 36% in Florida, and 6% in western Canada. The average distance to return the resource was 647 km for New Mexico, 1,884 km for Florida, and 1,587 km for western Canada. These magnitudes and distances suggest that the New Mexico circular manureshed may be the most economically viable in the current agri‐food system, but this reflects only part of a greater, multi‐factor assessment of tradeoffs. The circular manureshed concept provides a platform for simultaneous consideration of competing factors for sustainability via circularity.