bluuebunny/crossref_metadata_2025 huggingface dataset:
Characterization and quality evaluation of QiXueShuFu Decoction based on fingerprint and ultra‐performance liquid chromatography‐quadrupole‐orbitrap mass spectrometry
Authors: Yao Liang , Liu Yuzhen , Cui Yu , Sun Julin , Xia Xiaojian , Wang Junping , Wei Yougang , Chen WeiDong
Published: December 2023

QiXueShuFu Decoction (QXSFD) modified from the Bazhen Decoction which was originally from the classic Ming Dynasty is a traditional folk formula that boosts the body's immune system. However, its ambiguous chemical components limited its quality control evaluation. In this study, ultra‐performance liquid chromatography (UPLC) fingerprint combined with multivariate analysis was used to evaluate the quality of 15 batches of QXSFD, and UPLC quadrupole‐orbitrap mass spectrometry was used to further examine the chemical components in QXSFD, after which representative compounds from each disassembled prescription were selected for comparison. Fifteen batches of samples had 33 common peaks in which 11 differential components could be used as a reference for subsequent quality control. One hundred forty‐three components were identified from QXSFD. Saponins were mainly derived from the monarch, terpenes from the minister, and polysaccharides and glycosides from the assistant. In addition, quantitative assay revealed that the content of ferulic acid, chlorogenic acid, 2,3,5,4′‐tetrahydroxystilbene‐2‐O‐β‐D‐glucoside and 3,6′‐disinapoyl sucrose in the whole prescription were higher than the contents of each disassembled prescription. This is the first comprehensive quality report on the chemical components of QXSFD, which is important for pharmacodynamic material basis and quality control.
The effect of data sources on calculating mean temperature and integrated water vapor in Iran
Authors: Rahimi Hassan , Asgari Jamal , Nafisi Vahab
Published: December 2023

The weighted mean temperature () plays a crucial role in calculating Precipitable Water Vapor (PWV) and integrated water vapor (IWV) using Global Navigation Satellite Systems (GNSS) techniques. Currently, the primary sources for meteorological parameters are radiosonde measurements and Numerical Weather Models (NWMs). This study focuses on assessing the influence of different data sources on the computation of and IWV in Iran. The investigation involved comparing several datasets: ERA5 numerical data with spatial resolutions of 0.125° and 2.5° (ERA5 0.125, ERA5 2.5), ERA‐Interim, NCEP numerical data and results derived from the GPT3 model. Validation of the results utilized data from 12 radiosonde stations situated across Iran. In addition, the precision of the IWV parameter was evaluated by utilizing measurements from the only available IGS station in the region, situated in Tehran. The results revealed that ERA5 0.125 exhibited superior accuracy in estimation compared with the other datasets, showing a discrepancy of approximately 1–2 K. In contrast, the GPT3 model displayed an accuracy of about 3 K. Analysing the results across different months of the year revealed elevated root mean square error (RMSE) values during warmer months, with little variability based on station height in the region for the four datasets. Regarding IWV, the ERA5 0.125 dataset outperformed the other three datasets, demonstrating an accuracy of about 0.07 kg m−2. Notably, RMSE values during summer were approximately 50% higher compared with the annual RMSE.
Similarity searching for anticandidal agents employing a repurposing approach
Authors: Rodríguez‐Villar Karen , Cortés‐Benítez Francisco , Palacios‐Espinosa Juan Francisco , Pérez‐Villanueva Jaime
Published: December 2023

Fungal infections caused by Candida are still a public health concern. Particularly, the resistance to traditional chemotherapeutic agents is a major issue that requires efforts to develop new therapies. One of the most interesting approaches to finding new active compounds is drug repurposing aided by computational methods. In this work, two databases containing anticandidal agents and drugs were studied employing cheminformatics and compared by similarity methods. The results showed 36 drugs with high similarities to some candicidals. From these drugs, trimetozin, osalmid and metochalcone were evaluated against C. albicans (18804), C. glabrata (90030), and miconazole‐resistant strain C. glabrata (32554). Osalmid and metochalcone were the best, with activity in the micromolar range. These findings represent an opportunity to continue with the research on the potential antifungal application of osalmid and metochalcone as well as the design of structurally related derivatives.
Response to stress via underlying deep gene regulation networks
Authors: Vakulenko Sergey , Grigoriev Dmitry , Suchkov Andrey , Sashina Elena
Published: December 2023

Exposure of cells to non‐optimal growth conditions or to any environment that reduces cell viability can be considered as a stress. In this paper, we are going to highlight the main factors that determine the danger of stress to a cell considered as a biochemical system. To this end, we introduce a new mathematical concept of biosystem stability, where we take into account a signal transduction by deep gene networks. Using this concept and known results on approximations by deep networks, we find asymptotic estimates of the size and the depth of gene regulation networks that define the stress response. We propose a new algorithm to find the gene network approximating a prescribed output. It allows us, with the help of Kolmogorov
‐entropy and the deep neural network theory, to estimate the number of genes involved in regulation of responses on a stress (for example, a heat shock). We show that the main factors that increase the sensitivity of the systems with respect to a stress are the number of biochemical network parameters affected by the stress and sensitivities of kinetic rates with respect to these parameters.
The low‐LET radiation contribution to the tumor dose in diffusing alpha‐emitters radiation therapy
Authors: Epstein Lior , Heger Guy , Roy Arindam , Gannot Israel , Kelson Itzhak , Arazi Lior
Published: December 2023

Background

Diffusing alpha‐emitters Radiation Therapy (“Alpha DaRT”) is a new technique that enables the use of alpha particles for the treatment of solid tumors. Alpha DaRT employs interstitial sources carrying a few Ci of Ra below their surface, designed to release a chain of short‐lived atoms (progeny of Ra) which emit alpha particles, along with beta, Auger, and conversion electrons, x‐ and gamma rays. These atoms diffuse around the source and create—primarily through their alpha decays—a lethal high‐dose region measuring a few millimeters in diameter.

Purpose

While previous studies focused on the dose from the alpha emissions alone, this work addresses the electron and photon dose contributed by the diffusing atoms and by the atoms remaining on the source surface, for both a single Alpha DaRT source and multi‐source lattices. This allows to evaluate the low‐LET contribution to the tumor dose and tumor cell survival, and demonstrate the sparing of surrounding healthy tissue.

Methods

The low‐LET dose is calculated using the EGSnrc and FLUKA Monte Carlo (MC) codes. We compare the results of a simple line‐source approximation with no diffusion to those of a full simulation, which implements a realistic source geometry and the spread of diffusing atoms. We consider two opposite scenarios: one with low diffusion and high Pb leakage, and the other with high diffusion and low leakage. The low‐LET dose in source lattices is calculated by superposition of single‐source contributions. Its effect on cell survival is estimated with the linear quadratic model in the limit of low dose rate.

Results

For sources carrying 3 Ci/cm Ra arranged in a hexagonal lattice with 4 mm spacing, the minimal low‐LET dose between sources is  Gy for the two test cases and is dominated by the beta contribution. The low‐LET dose drops below 5 Gy  mm away from the outermost source in the lattice with an effective maximal dose rate of  Gy/h. The accuracy of the line‐source/no‐diffusion approximation is for the total low‐LET dose over clinically relevant distances (2–4 mm). The low‐LET dose reduces tumor cell survival by a factor of .

Conclusions

The low‐LET dose in Alpha DaRT can be modeled by conventional MC techniques with appropriate leakage corrections to the source activity. For 3 Ci/cm Ra sources, the contribution of the low‐LET dose can reduce cell survival inside the tumor by up to two orders of magnitude. The low‐LET dose to surrounding healthy tissue is negligible. Increasing source activities by a factor of 5 can bring the low‐LET dose itself to therapeutic levels, in addition to the high‐LET dose contributed by alpha particles, leading to a “self‐boosted” Alpha DaRT configuration, and potentially allowing to increase the lattice spacing.
Strategic contract selection of an online retailer when implementing store branding
Authors: Meng Mingyou , Deng Shiming , Xu He , Zhu Stuart X.
Published: December 2023

This article investigates the impact of demand uncertainty on online retailers' store branding partnerships with manufacturers. The study examines whether such partnerships, involving service effort to boost demand, are effective under uncertain conditions. The supply chain comprises an intermediary and a manufacturer, with the manufacturer facing a service cost disadvantage. The benchmark case is the manufacturer's sale through the agency (AG) contract with the intermediary. Using a two‐period game‐theoretic model, the study analyzes equilibrium prices, service efforts, and profits for the AG contract and two store branding contracts: original design manufacturer (ODM) and acquisition (AC). Findings show that the intermediary adopts store branding when its service cost advantage is significant. The intermediary exhibits a preference for the ODM contract when the commission fee falls within a moderate range. Conversely, when it deviates from this middle ground, the AC contract becomes more favorable. Within the AC contract framework, with low commission fees, specifically when the service cost advantage is not particularly pronounced and demand variability is high, the intermediary opts to trigger the acquisition option exclusively when the actual demand turns out to be substantial. With high commission fees, the intermediary avoids the acquisition option. These outcomes arise from balancing the double marginalization effect caused by factors like service cost advantage, service decentralization, and wholesale price. Implementing store branding through ODM or AC contracts enhances supply chain profit when it is optimal for the intermediary. We provide insights into online retailers' decision‐making regarding store branding partnerships with manufacturers under demand uncertainty. It highlights the importance of considering factors like service cost advantage, service decentralization, and wholesale prices to determine the optimal store branding strategy. The research contributes to understanding supply chain dynamics and suggests ways to enhance supply chain profit in online retail.
Learning to repeatedly solve routing problems
Authors: Morabit Mouad , Desaulniers Guy , Lodi Andrea
Published: December 2023

In the last years, there has been a great interest in machine‐learning‐based heuristics for solving NP‐hard combinatorial optimization problems. The developed methods have shown potential on many optimization problems. In this paper, we present a learned heuristic for the reoptimization of a problem after a minor change in its data. We focus on the case of the capacited vehicle routing problem with static clients (i.e., same client locations) and changed demands. Given the edges of an original solution, the goal is to predict and fix the ones that have a high chance of remaining in an optimal solution after a change of client demands. This partial prediction of the solution reduces the complexity of the problem and speeds up its resolution, while yielding a good quality solution. The proposed approach resulted in solutions with an optimality gap ranging from 0% to 1.7% on different benchmark instances within a reasonable computing time.
A mixed‐dimensional model for direct current simulations in the presence of a thin high‐resistivity liner
Authors: Fumagalli Alessio , Panzeri Lorenzo , Formaggia Luca , Scotti Anna , Arosio Diego
Published: December 2023

In this work, we present a mixed‐dimensional mathematical model to obtain the electric potential and current density in direct current simulations when a thin liner is included in the modelled domain. The liner is used in landfill management to prevent leakage of leachate from the waste body into the underground and is made of a highly‐impermeable high‐resistivity plastic material. The electrodes and the liner have diameters and thickness, respectively, that are much smaller than their other dimensions, thus their numerical simulation might be too costly in an equi‐dimensional setting. Our approach is to approximate them as objects of lower dimension and derive the corresponding equations. The obtained mixed‐dimensional model is validated against laboratory experiments of increasing complexity to show the reliability of the proposed mathematical model. Our tests also show that configurations with current and voltage electrodes on either sides of the liner confining the landfill may be effective in detecting damages of the membrane.
Clinical, economic, and health‐related quality of life outcomes in patients with overweight or obesity in the United States: 2016–2018
Authors: MacEwan Joanna P. , Chiu Kevin , Ahmad Nadia N. , Sacks Naomi , Shinde Shraddha , Poon Jiat Ling , Kan Hong
Published: December 2023

Objectives

This study aimed to estimate clinical, economic (including productivity), and health‐related quality of life (HRQoL) outcomes and associated individual characteristics among adults with overweight (OW) or obesity in the United States.

Methods

This study included adult respondents with body mass index (BMI) ≥18.5 kg/m2 in the 2017–2018 National Health and Nutrition Examination Survey (NHANES) and 2016 Medical Expenditure Panel Survey. Respondents were classified according to BMI. Individual characteristics were described by BMI categories. Multivariable regression models estimated the association between BMI categories and outcomes, adjusting for individual characteristics.

Results

Nearly three‐quarters (73.7%) of NHANES participants were OW or obese. Relative to Normal weight (NW), respondents with Class 3 obesity had more obesity‐related complications (2.07 vs. 4.62, p < 0.001). Higher BMI was associated with significantly lower HRQoL, lower productivity, and higher healthcare expenditures as well as more frequent weight loss attempts in the previous 12 months. Weight loss surgery and prescription anti‐obesity medications (AOMs) were used only by a very small proportion of individuals. Despite frequent weight loss attempts, most respondents did not achieve clinically meaningful weight loss.

Conclusions

Adults with OW or obesity experienced worse clinical, economic and HRQoL outcomes than those with NW. Better use of evidence‐based obesity treatments, including prescription AOMs, should be considered to achieve more clinically meaningful weight reduction and improved outcomes in individuals with OW or obesity.
Production of flower‐shaped nanobiocatalysts from green tea and investigation of their peroxidase mimicking activity on the polymerization of phenol derivatives
Authors: Kalayci Berkant , Kaplan Naime , Dadi Seyma , Ocsoy Ismail , Gokturk Ersen
Published: December 2023

Enzyme catalyzed reactions are known to be environmental friendly and easy method for many applications. However, utilization of enzymes in a variety of reactions is strictly limited due to their high cost, instability in aqueous solutions, denaturation in organic solvents and high temperatures. For this reason, it is important to discover new generation catalyst systems indicating enzyme‐like catalytic activity. Here, we report hybrid organic–inorganic flower‐shaped green tea‐Cu2+ nanobiocatalyst synthesized from green tea extract as an organic component and copper (II) ions (Cu2+) as inorganic component. The effect of the peroxidase‐mimicking activity of green tea‐Cu2+ nanobiocatalyst was investigated on the polymerization of phenol and derivatives (guaiacol and salicylic acid) through Fenton‐like reaction mechanism. Obtained successful outcomes showed that the synthesized nanobiocatalyst showed very high catalytic activity upon polymerization of phenol and guaiacol. The slight solubility of salicylic acid in water limited to achieve its polymerization under‐performed reaction conditions. The yields and molecular weights of the obtained polymers were found to be quite high. While free peroxidase enzymes like horseradish peroxidase (HRP) enzyme loses its catalytic activity at 60°C and above temperatures, green tea‐Cu2+ nanobiocatalyst exhibited very high catalytic activity upon polymerization reactions even at 60°C reaction temperature. This outcome provides significant advantages in some reactions requiring high temperatures. In order to understand the origin of the catalytic activity of the green tea‐Cu2+ nanoflowers, similar biocatalysts were also synthesized from caffeine and catechin alkaloids which are the active components of green tea. Caffeine‐Cu2+ and catechine‐Cu2+ nanobiocatalysts also exhibited quite high catalytic activity toward polymerization of phenol and derivatives. We suggest that green tea‐Cu2+ and similar types of nanobiocatalysts may expand their utilization in polymer chemistry as promising catalytic agents for radicalic polymerizations.
Microbial community and chemical composition of cigar tobacco (Nicotiana tabacum L.) leaves altered by tobacco wildfire disease
Authors: Si Hongyang , Cui Bing , Liu Fang , Zhao Mingqin
Published: December 2023

Tobacco wildfire disease caused by Pseudomonas syringae pv. tabaci is one of the most destructive foliar bacterial diseases occurring worldwide. However, the effect of wildfire disease on cigar tobacco leaves has not been clarified in detail. In this study, the differences in microbiota and chemical factors between wildfire disease‐infected leaves and healthy leaves were characterized using high‐throughput Illumina sequencing and a continuous‐flow analytical system, respectively. The results demonstrated significant alterations in the structure of the phyllosphere microbial community in response to wildfire disease, and the infection of P. syringae pv. tabaci led to a decrease in bacterial richness and diversity. Furthermore, the content of nicotine, protein, total nitrogen, and Cl− in diseased leaves significantly increased by 47.86%, 17.46%, 20.08%, and 72.77% in comparison to healthy leaves, while the levels of total sugar and reducing sugar decreased by 59.59% and 70.0%, respectively. Notably, the wildfire disease had little effect on the content of starch and K+. Redundancy analysis revealed that Pseudomonas, Staphylococcus, Cladosporium, and Wallemia displayed positive correlations with nicotine, protein, total nitrogen, Cl− and K+ contents, while Pantoea, Erwinia, Sphingomonas, Terrisporobacter, Aspergillus, Alternaria, Sampaiozyma, and Didymella displayed positive correlations with total sugar and reducing sugar contents. Brevibacterium, Brachybacterium, and Janibacter were found to be enriched in diseased leaves, suggesting their potential role in disease suppression. Co‐occurrence network analysis indicated that positive correlations were prevalent in microbial networks, and the bacterial network of healthy tobacco leaves exhibited greater complexity compared to diseased tobacco leaves. This study revealed the impact of wildfire disease on the microbial community and chemical compositions of tobacco leaves and provides new insights for the biological control of tobacco wildfire disease.
Mechanism of a novel antibacterial polymeric film with freshness‐retentive and hygiene‐keeping functions
Authors: Hong Yen Ying , Shijo Anjali Madhavan , Narita Junichi
Published: December 2023

The growing concerns surrounding food loss and waste, coupled with the amplified need for effective antimicrobial technologies due to the COVID‐19 pandemic have highlighted the significance of antimicrobial solutions. This study introduces novel polymer‐based antibacterial films to address such challenges by combining antibacterial properties with durability. Using stearyldiethanolamine (C18DEA) as the active ingredient, the polyethylene‐based (PE) film is designed to prevent bacterial growth on its surface. The present study investigated the antibacterial mechanism, durability, and effectiveness of the films against representative gram‐positive and gram‐negative bacterial strains. The films developed in this study demonstrated notable durability against high water temperatures and harsh light exposure for preserving its antibacterial function on the tested bacteria from both representative groups. Scanning electron microscopy (SEM) analysis of bacteria in contact with film surface revealed damages to cellular structure leading to cell lysis even at the lower tested concentration of 800 ppm C18DEA in the film. Our proposed bactericidal mechanism suggests the alkyl chain of C18DEA disrupts bacterial cell membranes, leading to irreversible damage and cell death. Overall, the films hold significant promise for diverse applications, including extended shelf life for perishable foods and enhanced hygiene management, driven by their durability and potent antimicrobial effects.

Highlights

Mechanism of action of a PE film with C18DEA as active ingredient was studied.

Broad‐spectrum bactericidal effect on gram‐positive and gram‐negative bacteria.

Films demonstrated resistance to high water temperatures and light exposure.

Study highlights the films' application in hygiene, safety, and food preservation.
Characterization of well‐defined PHEMA‐based bottlebrushes with controlled chain length and grafting density
Authors: Doi Naoki , Yamauchi Yukinori , Sasai Yasushi , Yuda Naohiro , Kuzuya Masayuki , Kondo Shin‐ichi
Published: December 2023

Bottlebrushes with controlled horizontal‐ and vertical‐axis scales, which have a high density of graft chains on their main chains, are useful as a nanomaterial. The properties of bottlebrushes depend on the polymer‐type, ‐chain length, and grafting density. We fabricate well‐defined bottlebrushes based on poly(2‐hydroxyethyl methacrylate) (PHEMA) using the grafting from method. Macroinitiators with different compositions of an atom transfer radical polymerization (ATRP) initiator group are prepared, and two bottlebrushes are consequently synthesized by ATRP of HEMA with the macroinitiator: a concentrated bottlebrush with graft chains on the repeating units and a semi‐dilute bottlebrush with graft chains on approximately 10%. The hydrodynamic and gyration radii of the concentrated‐ and semi‐dilute bottlebrushes are Rh = 9.2 nm (Rg = 24.9 nm) and Rh = 69.1 nm (Rg = 130 nm), respectively. The shape factors (Rg/Rh) of these bottlebrushes indicate both solid‐rods. The virial coefficient of semi‐dilute bottlebrush, calculated from static light scattering measurements, is higher than that of concentrated bottlebrush, owing to the flexibility and solvation structure. The grafting density play a more prominent role than the graft‐chain length in the excluded volume effect of the bottlebrush. These results provide useful insights for the construction of polymethacrylate‐based bottlebrushes with specific hydrodynamic properties.
Transcription factor B‐H2 regulates CYP9J34 expression conveying deltamethrin resistance in Culex pipiens pallens
Authors: Du Jiajia , Yin Haitao , Li Jinze , Zhang Wenxing , Ding Guangshuo , Zhou Dan , Sun Yan , Shen Bo
Published: December 2023

BACKGROUND

Mosquitoes are vectors of various diseases, posing significant health threats worldwide. Chemical pesticides, particularly pyrethroids like deltamethrin, are commonly used for mosquito control, but the emergence of resistant mosquito populations has become a concern. In the deltamethrin‐resistant (DR) strain of Culex pipiens pallens, the highly expressed cytochrome P450 9 J34 (CYP9J34) gene is believed to play a role in resistance, yet the underlying mechanism remains unclear.

RESULTS

Quantitative polymerase chain reaction with reverse transcription (qRT–PCR) analysis revealed that the expression of CYP9J34 was 14.6‐fold higher in DR strains than in deltamethrin‐susceptible (DS) strains. The recombinant production of CYP9J34 protein of Cx. pipiens pallens showed that the protein could directly metabolize deltamethrin, yielding the major metabolite 4′‐OH deltamethrin. Through dual luciferase reporter assays and RNA interference, the transcription factor homeobox protein B‐H2‐like (B‐H2) was identified to modulate the expression of the CYP9J34 gene, contributing to mosquito resistance to deltamethrin.

CONCLUSIONS

Our findings demonstrate that the CYP9J34 protein could directly degrade deltamethrin, and the transcription factor B‐H2 could regulate CYP9J34 expression, influencing the resistance of mosquitoes to deltamethrin. © 2023 Society of Chemical Industry.
Quantitative CT measures of pulmonary vascular volume distribution in pulmonary hypertension associated with COPD: Association with clinical characteristics and outcomes
Authors: Cajigas Hector R. , Lavon Ben , Harmsen William , Muchmore Patrick , Costa Joana , Mussche Charles , Pulsipher Sydney , De Backer Jan
Published: December 2023

To determine whether quantitative computed tomography (qCT)‐derived metrics of pulmonary vascular volume distribution could distinguish chronic obstructive pulmonary disease (COPD) subjects with associated pulmonary hypertension (PH) from those without and to characterize associations of these measurements with clinical and physiological characteristics and outcomes. We collected retrospective CT, pulmonary hemodynamic, clinical, and outcomes data from subjects with COPD and right‐heart catheterization‐confirmed PH (PH‐COPD) and control subjects with COPD but without PH. We measured the volumes of pulmonary vessels < 5 and >10 mm2 in cross‐sectional area as a percentage of total pulmonary vascular volume (qCT‐derived volume of pulmonary vessels < 5 mm2 in cross‐sectional area as a volume fraction of total pulmonary blood volume [BV5%] and qCT‐derived volume of pulmonary vessels > 10 mm2 in cross‐sectional area [BV10] as a volume fraction of total pulmonary blood volume [BV10%], respectively) using Functional Respiratory Imaging (FRI), an automated qCT platform, and compared them between PH and control arms and between subjects with mild‐moderate PH and those with severe disease. Correlations of hemodynamics with pulmonary function and associations with survival were tested. Forty‐five PH‐COPD and 42 control subjects were studied. BV5% was lower in PH subjects (32.2% vs. 37.7%, p = 0.003), and BV10% was higher (50.2% vs. 43.5, p = 0.001). Subjects with severe PH did not differ from those with mild‐moderate PH in qCT. Pulmonary vascular volumes were not associated with pulmonary function. BV10 was associated with mean pulmonary artery pressure (r = 0.3, p = 0.05). Associations with survival were observed for BV5% (hazard ratio 0.63, p = 0.02) and BV10% (hazard ratio 1.43, p = 0.03) in the PH‐COPD arm, but not for controls. qCT‐derived measures of pulmonary vascular volume may have diagnostic and prognostic significance in PH‐COPD and should be investigated further as screening and risk stratification tools
Calibration of an expeditious terramechanics model using a higher‐fidelity model, Bayesian inference, and a virtual bevameter test
Authors: Hu Wei , Li Pei , Unjhawala Huzaifa Mustafa , Serban Radu , Negrut Dan
Published: December 2023

The soil contact model (SCM) is widely used in practice for off‐road wheeled vehicle mobility studies when simulation speed is important and highly accurate results are not a main concern. In practice, the SCM parameters are obtained via a bevameter test, which requires a complex apparatus and experimental procedure. Here, we advance the idea of running a virtual bevameter test using a high‐fidelity terramechanics simulation. The latter employs the “continuous representation model” (CRM), which regards the deformable terrain as an elasto‐plastic continuum that is spatially discretized using the smoothed particle hydrodynamics method. The approach embraced is as follows: a virtual bevameter test is run in simulation using CRM terrain to generate “ground truth” data; in a Bayesian framework, this data is subsequently used to calibrate the SCM terrain. We show that (i) the resulting SCM terrain, while leading to fast terramechanics simulations, serves as a good proxy for the more complex CRM terrain; and (ii) the SCM‐over‐CRM simulation speedup is roughly one order of magnitude. These conclusions are reached in conjunction with two tests: a single wheel test, and a full rover simulation. The SCM and CRM simulations are run in the open‐source software Chrono. The calibration is performed using PyMC, which is a Python package that interactively communicates with Chrono to calibrate SCM. The models and scripts used in this contribution are available as open source for unfettered use and distribution in a public repository.
Evaluating the impact of agricultural production efficiency on sustainable development goals in coffee‐producing countries in Africa
Authors: Yang Chih‐Yu , Wang Chung‐Ching , Lu Ching‐Cheng , Chiu Yung‐ho , Chiu Shih‐Yung
Published: December 2023

Climate change has directly impacted coffee‐producing regions in Africa. This study uses the two stage Dynamic Network Directional Distance Function (DN‐DDF) and Malmquist Productivity Index (MPI) methods to evaluate the efficiency and productivity changes of agricultural production and sustainable development in 19 African coffee‐producing countries from 2014 to 2018. According to the empirical results, Central African Republic, Ethiopia, Liberia, Uganda, and Zambia have the highest overall efficiency. This study has three main contributions: (1) using a two‐stage model to evaluate the impact of agricultural production efficiency on sustainable development efficiency, (2) using a dynamic model with forest area as a cross‐period variable to reflect the real‐world phenomenon of coffee relying on forest mixed planting, and (3) objectively evaluating the impact of extreme weather on agricultural production by using rainfall as an exogenous variable to address previous research shortcomings. The results of this study can promote the improvement of agricultural production efficiency in African coffee‐producing countries and provide important reference value for sustainable development goals.
Sustainable tourist behavior: A systematic literature review and research agenda
Authors: Li Jiawei , Coca‐Stefaniak J. Andres , Nguyen Thi Hong Hai , Morrison Alastair M.
Published: December 2023

Sustainable tourist behavior is a rapidly growing field within sustainable tourism. This study contributes to this emerging body of knowledge through a systematic literature review combining bibliometric and qualitative analysis of 331 publications. Key themes in sustainable tourist behavior research, including intended and actual behaviors, were identified with scholarly debates in this field discussed critically. Sustainability topics widely studied in other disciplines have been overlooked from a tourist behavior perspective, including waste classification and recycling, as well as applications of sustainable design to the management of the visitor economy. Additionally, this analysis revealed imbalances in sustainable development practice and research related to the visitor economy and gaps in theory development. This study builds on these findings and discusses an agenda for future research in sustainable tourist behavior. The findings contribute to shaping the conceptualization of sustainable tourist behavior, recognizing its dynamic nature, providing an overview of theories and antecedents, and underscoring the significance of considering diverse factors in future research. They also suggest that decision‐makers in tourism should prioritize understanding tourist sustainable behavior through market segmentation, incorporate design and technology into sustainable initiatives, and align strategies with the specific needs and requirements of tourists for effective and sustainable tourism development.
Modeling basal body temperature data using horseshoe process regression
Authors: Chase Elizabeth C. , Taylor Jeremy M. G. , Boonstra Philip S.
Published: December 2023

Biomedical data often exhibit jumps or abrupt changes. For example, women's basal body temperature may jump at ovulation, menstruation, implantation, and miscarriage. These sudden changes make these data challenging to model: many methods will oversmooth the sharp changes or overfit in response to measurement error. We develop horseshoe process regression (HPR) to address this problem. We define a horseshoe process as a stochastic process in which each increment is horseshoe‐distributed. We use the horseshoe process as a nonparametric Bayesian prior for modeling a potentially nonlinear association between an outcome and its continuous predictor, which we implement via Stan and in the R package HPR. We provide guidance and extensions to advance HPR's use in applied practice: we introduce a Bayesian imputation scheme to allow for interpolation at unobserved values of the predictor within the HPR; include additional covariates via a partial linear model framework; and allow for monotonicity constraints. We find that HPR performs well when fitting functions that have sharp changes. We apply HPR to model women's basal body temperatures over the course of the menstrual cycle.
Self‐Healing Polybutadienes Formed through Sigmatropic Rearrangement and Stratified H‐Bonding for Use in Polymer‐Bonded Explosives
Authors: S Gayathri , Srinivas Chinthalapalli , KP Vijayalakshmi , S Bhuvaneswari , Reshmi Sasidharakurup
Published: December 2023

The accomplishment of self‐healing polybutadienes (PB) is decisive for multitude of aerospace applications. We here present the first‐time report on a self‐healing PB derived from a blend of allyloxy end functionalized PB elicited through intramolecular thermally activated sigmatropic Claisen rearrangement coupled with stratified hydrogen bonding for use in polymer bonded explosives (PBX). Heteronuclear Single Quantum Correlation (HSQC), Heteronuclear Multiple Bond Coherence (HMBC), Total Correlation Spectroscopy (TOCSY) and Fourier Transform Infrared spectroscopy (FTIR) Spectroscopy were utilized to confirm the mechanistic aspects of the rearrangement for the proposed application. The mechanism of self‐healing is further elucidated using density functional theory (DFT) computations and confirmed through Raman spectroscopy. The biphasic polymer network architecture is disclosed through two glass transitions at −54 °C and 15–25 °C, as confirmed by Dynamic Mechanical Analysis (DMA) and Atomic Force Microscopy (AFM). The polymer exhibited healing efficiency of 85 % suitable for adhesive or coating applications. Self‐healing in bonding formulations of insensitive polymer bonded explosives was also expedited which exhibited a healing efficiency of 49–54 %.
Organic Ionic Liquid Grafted Nano‐CeO2: A Highly Efficient Photocatalyst for Hydroxylation of Benzene and Reduction of Cr (VI)
Authors: Chakraborty Debarati , Kalita Juri , Bharali Linkon , Sankar Dhar Siddhartha
Published: December 2023

An ionic liquid, namely imidazolium sulfonic acid chloride (ISAC) has been electrostatically grafted over cerium oxide nanoparticles to produce a nanocomposite, nano‐CeO2‐IL. The as‐prepared composite was characterized by various analytical techniques such as XRD, FT‐IR, SEM, TEM, XPS, BET, UV‐DRS, PL, and TGA to confirm the grafting of ISAC over CeO2 NPs. The photocatalytic process is regarded as the method of choice for the elimination of air pollutants because of its great efficiency and relatively benign working conditions. According to UV‐DRS spectra, its optical gap is 2.07 eV, which is appropriate for the visible light spectrum. The composite was investigated as a visible‐light‐driven photocatalyst for hydroxylation of benzene to phenol and heavy metal Cr (VI) reduction. Moreover, the scavenger experiments confirmed the detection of ⋅OH radicals which played a crucial role in the photocatalytic experiments. Within 60 minutes, 98.5 % of benzene was converted to phenol with 82.7 % selectivity in addition to 93.63 % Cr (VI) reduction within 30 mins. The photocatalytic reduction of Cr(VI) to Cr(III) follows a first‐order model with a rate constant of 0.027 min−1. The remarkably high photocatalytic performance of the catalyst may be ascribed to the synergistic interaction between the nano‐CeO2 catalyst and ionic liquid.
Efficient and Traceable Tamoxifen Delivery to Breast Cancer Cells Using Folic Acid‐Decorated and PEGylated Graphene Quantum Dots
Authors: Amraee Noora , Torbati Maryam Bikhof , Majd Ahmad , Shaabanzadeh Masoud
Published: December 2023

Graphene quantum dots (GQDs) possess potential properties for the targeted transport and tracking of anticancer medication to tumor cells. For this purpose, the synthesized GQDs were decorated with folic acid (FA) and methoxy polyethylene glycol (mPEG2000), and finally loaded with tamoxifen (TMX) drug. The synthesized nano‐drug was characterized using FTIR, XRD, UV‐Vis, PL, HRTEM, FESEM, and DLS analytical devices. Based on the obtained data, the average hydrodynamic diameter of particles dissolved in water was 294.7 nm and the size of dehydrated particles was between 53 and 210 nm. PL data showed that prepared nanoparticles have an emission wavelength of 438 nm, which is in the blue fluorescent wavelength range, thus making these nanoparticles suitable for cell imaging. The encapsulation efficiency and loading percentage of tamoxifen in nanoparticles were calculated at about 52.5 % and 30 %, respectively, and cumulative drug release reached 89 % within 42 hours. The cytotoxicity effects of nanoparticles were investigated. According to IC50 results, the targeted mPEG‐GQDs‐FA/TMX (TMX‐FPGs) nano‐drug was more toxic than free TMX on MCF‐7 cells and had reduced side effects on healthy HDF cells. TMX‐FPGs induced apoptosis cell death, significantly. The confocal imaging experiments showed that TMX‐FPGs are appropriate for monitoring and targeting MCF‐7 cells.
High‐Efficiency Dephosphorization by Bottom‐Blown O2‐CaO Process for Semi‐Steelmaking
Authors: Wang Chunyang , Dong Kai , Xue Zhitao , Zhao Changliang , Guan Shunkuan , Ding Guohui , Feng Chao , Zhu Rong
Published: December 2023

In steelmaking, the bottom‐blown O2‐CaO process is used to achieve efficient dephosphorization. However, few studies have applied it to dephosphorization converters. Therefore, this study considers the thermodynamic and kinetic mechanisms of dephosphorization during the process. The selective oxidation transfer temperatures of C and P are calculated. Compared to the combined blowing process, the bottom‐blown O2‐CaO process reduces the optimum dephosphorization temperature from 1593 to 1573 K. Moreover, the FeO content decreases by 20.7% owing to the increased stirring energy and improved kinetic conditions; the binary basicity (R) of the slag increases, and the lime consumption decreases by 2.9 kg t−1. The higher slagging efficiency indicates that the CaO powder melts and dephosphorization is completed during the fire‐spot zone floating process. Furthermore, the optimum FeO content for dephosphorization decreases as R increases. The selective oxidation of C and P can be divided into two stages. The oxidation stage of P preferred C is extended in this process. Overall, the end‐point P content accounts for 22.52% and 46.85% of the samples prepared using the combined blowing and bottom‐blown O2‐CaO processes when the P content is 0.02–0.03%, respectively.
Biaxial bending of RC rectangular column sections: Improved ‘load contour’ formulation
Authors: Kolapkar Bhargav Narendra , Balakrishnan Bijily , Menon Devdas
Published: December 2023

In design practice, the safety of any given rectangular reinforced concrete column section is checked by ensuring that all possible combinations of axial compression (Pu) and biaxial moments (Mux, Muy) at the ultimate limit state lie within its three‐dimensional load–moment interaction failure surface. Although such a check is facilitated by commercial software packages, it is traditionally carried out with the help of an approximate formulation of the ‘load contour’ at any given axial load level, first proposed by Bresler. The present study proposes an efficient algorithm, using a ‘modified thick layer integration’ approach and a ‘nested bisection’ method, to generate the ‘exact’ load contour (and thereby, the complete interaction surface) for any symmetrically reinforced column section, complying with the strength design requirements of ACI 318 (or EC2 or IS 456). The algorithm also generates a measure of the safety margin, called ‘demand‐to‐capacity ratio’ (DCR), defined as the ratio of the resultant design moment (Mu) to the moment capacity (Muθ) at a given axial load level (Pu). For an optimal code‐compliant design, the peak value of DCR generated from various factored load combinations (obtained from frame analyses) must be close to 1.0. The extent to which the peak DCR is less (or greater) than 1.0 provides a measure of over‐design (or under‐design) in a given context. After validating the algorithm, a parametric study was carried out on a spectrum of 36 different cross‐sections having different aspect ratios, bar arrangements and reinforcement percentages. The study reveals that the exponent in the approximate load contour formulation depends not only on the axial load (as currently assumed in ACI: SP17, EC2 and IS 456), but also on the percentage of longitudinal reinforcement. Accordingly, modifications have been suggested to improve the accuracy in these code‐prescribed approximate formulations of the load contour, for more economical and safe design.
Tight control using fecal calprotectin and early disease intervention increase the rates of transmural remission in Crohn's disease
Authors: Fernandes Samuel Raimundo , Bernardo Sónia , Saraiva Sofia , Gonçalves Ana Rita , Moura Santos Paula , Valente Ana , Correia Luís Araújo , Cortez‐Pinto Helena , Magro Fernando
Published: December 2023

Background

Increasing evidence supports the use of transmural remission as a treatment target in Crohn's disease (CD), but it is seldom achieved in clinical practice. Tight monitoring of inflammation using fecal calprotectin with reactive treatment escalation may potentially improve these results.

Aims

To evaluate if treatment escalation based on fecal calprotectin can improve the rates of transmural remission in CD. The influence of the timing of intervention on this strategy was also evaluated.

Methods

Retrospective cohort study including 256 CD patients with 2 consecutive assessments by MRI‐enterography and colonoscopy and with regular monitoring using fecal calprotectin. For each occurrence of an elevated fecal calprotectin (≥250 μg/g), we evaluated whether a reactive adjustment of medical treatment was performed. The ratio of treatment escalation/elevated fecal calprotectin was correlated with the chances of reaching transmural remission. Early disease was defined as disease duration <18 months without previous exposure to immunomodulators and biologics.

Results

After a median follow‐up of 2 years (IQR 1–4), 61 patients (23.8%) reached transmural remission. Ratios of escalation ≥50% resulted in higher rates of transmural remission (34.2% vs. 15.1%, p < 0.001). The effect was more pronounced in patients with early disease (50.0% vs. 12.0%, p = 0.003). In multivariate analysis, a treatment escalation ratio ≥50% (OR 3.46, 95% CI 1.67–7.17, p = 0.001) and early disease intervention (OR 3.24, 95% CI 1.12–9.34, p = 0.030) were independent predictors of achieving transmural remission.

Conclusion

Tight‐monitoring and reactive treatment escalation increase the rates of transmural remission in CD. Intervention in early disease further improves these results.
Heritaging and the Use of History in Margit Sandemo’s The Legend of the Ice People
Authors: Trenter Cecilia
Published: December 2023

This chapter explores the use of heritage and history in the popular romance series The Legend of the Ice People (1982–1989) by Norwegian-Swedish author Margit Sandemo. The epos is the 47-volume multigenerational saga of a family. The series is here defined as a story world in which Sandemo is the creator, but fans are actively involved in collective negotiations. The use of the past within the series offers interpretations to readers, who are putting the old-fashion modes into up-to-date, concurrent, and contemporary understandings of morality by emerging from the historical past within the series.
How [Not] to Run a Colony in the Distant Past and the Future
Authors: Kupperman Karen Ordahl
Published: December 2023

Colonialism always rests on a false premise: we will bring our superior culture to a new region. The beings who inhabit the territory may be useful to us, but they certainly can be pushed out of the way. Such was the case in England’s first attempts in North America 400 years ago, and now fictional accounts of colonization in outer space see humans repeating their mistakes. This chapter uses pamphlets, letters, and official documents written in the beginning decades of English colonization in North America. It also draws on two modern science fiction accounts, one from the mid-twentieth century, Harry Martinson’s Aniara, and the other recently published, Charlie Jane Anders’ The City in the Middle of the Night.
Managing Differences, Showing (Dis)affiliations: Language Contacts Through the Eyes of the Inhabitants of a Village in Finnish Lapland
Authors: Hippi Kaarina
Published: December 2023

This chapter discusses how inhabitants of a Finnish village near the Norwegian border describe different languages in their lives. In their current place of residence, tourism has a strong influence, and the inhabitants have temporary contacts with national and transnational visitors and hear and use different languages and their varieties. Also, the location of the village in the Saami land influences their experiences. The data consist of seven language biographical interviews. The interviewees describe the languages they recognise and use in interactions with others, including also experiences of variation within the named languages. Their relationship (affiliations and disaffiliations) with the languages is reflected in their attitudes, particularly as affective stances which have ideological connections. The study shows how sociolinguistic dynamics in a northern location as well as the personal contacts and background of its residents are present in their interactions and have an impact on their involvement with languages.