bluuebunny/crossref_metadata_2025_split huggingface dataset:
Known or Never before Identified Phenanthrenes: Where It Is Possible to Isolate Them and Why
Authors: Di Fabio Giovanni , Zarrelli Armando 
Published: March 2022

AbstractThe secondary metabolites of plant origin belong to different and numerous classes of organic compounds. One of these is that of dimeric phenanthrenes, symmetrical or not, characterized by a series of interesting biological activities. Of these compounds, 37 have been isolated since 1988, from only five plant families. Considering each dimer comprises two phenanthrenes and starting from the hypothesis that each dimer is obtained through a biosynthetic mechanism that involves the coupling of the corresponding radicals of the individual phenanthrene units, it is possible to identify 29 phenanthrenes, of which 6 not yet isolated. It is possible to establish that 16 known phenanthrenes can be isolated from 14 different plant species, just as 6 new phenanthrenes can be isolated from 6 different plant species. This would allow a targeted analysis of a few natural extracts from specific plant sources to identify known or new molecules, with potential and/or specific biological activities.
It may be urgent, but is it important? A look at how employees evaluate their emails
Authors: Lanctot Andre , Duxbury Linda 
Published: March 2022

AbstractThis paper presents the results of a study designed to identify the cues employees use to identify an email as important and/or urgent. Taking an emic perspective, a qualitative research methodology is used to analyze interview responses from knowledge workers. Our findings support the notion that employees use strategies similar to those encapsulated in Mitchell et al.’s (1997) operationalization of stakeholder salience when evaluating an email's importance and/or urgency. Results from this study can be used to design email policies to support knowledge worker performance.
Thermal fluctuation spectrum of flexoelectric viscoelastic semiflexible filaments and polymers: A line liquid crystal model
Authors: Wang Ziheng , Servio Phillip , Herrera‐Valencia Edtson E. , Rey Alejandro D. 
Published: March 2022

AbstractIn this paper, we generalize the internal viscosity model developed by Professor Williams to semiflexible polymers, biofilaments, and worm‐like micelles, where molecular dissipation is generated by bending. Current models for viscoelasticity with internal viscosity in semiflexible polymers and filaments are based on generalizations of the worm‐like model, but they neglect potential electromechanical couplings such as flexoelectricity. In this paper, inspired by the early work of Professor Williams, we develop a model for worm‐like viscoelastic flexoelectric filaments based on the “line liquid crystal model”. The electroelastic free energy and entropy production are formulated and used to derive the shape equation for these filaments undergoing thermal fluctuations. The resulting time relaxation spectrum is a useful tool to characterize experimentally viscoelastic material parameters. We show that flexoelectricity or polarization‐induced bending softens the filaments. The predicted time relaxation spectrum shows that at longer wavelength modes, the filament behaves like a rigid rod in a viscous solvent, but at shorter wavelengths, it reaches a plateau defined by the bending time scale. The key effect of flexoelectricity is to shift the entire spectrum to higher values, slowing down the response. The model itself is validated using the worm‐like chain and the viscoelasticity of liquid crystals, and the predictions are shown to be in qualitative consistency with the data. Since filament flexoelectricity is associated with 1D sensor‐actuator functionalities, the presented model has many potential novel applications in reduced geometries.
Structure Modification of FXR Antagonistic Chalcones and Their Inhibitory Effects on NSCLC Cell Proliferation and Metastasis
Authors: Niu Shuaishuai , Zhang Guoning , Wang Na , Lv Guangyao , Liu Jinsong , Wang Hongbo , Fang Wei‐Shuo 
Published: March 2022

AbstractAlthough the farnesoid X receptor (FXR) has been regarded as a promising drug target for metabolic diseases as well as anti‐inflammatory, antitumor and antiviral actions, the antagonism by FXR ligands are still underrepresented in current FXR targeted therapies. In this study, we discovered selective FXR antagonists through structure optimization from the polyoxygenated chalcone scaffold. The selective antagonist 6 p [2‐methoxy‐2’‐hydroxy‐4’‐(4’’‐methoxy‐4’’‐oxo‐E‐crotonyl) chalcone] is not only inhibitory toward non‐small‐cell lung cancer (NSCLC) cell proliferation in an FXR‐dependent manner, but is also active in metastasis models. Taken together, this chalcone‐based FXR antagonist has the potential for the targeted therapy of NSCLC in which FXR is highly expressed.
Quantitative definition of strength of chromophores in gemstones and the impact on color change in pyralspite garnets
Authors: Sun Ziyin , Palke Aaron C. , Renfro Nathan D. , Rizzo Jessa M. , Hand Dylan B. , Sanchez Diego 
Published: March 2022

AbstractThe color of most garnets is derived from multiple color‐producing elements (chromophores). In this study we selectively isolate the ultraviolet–visible–near infrared (UV–Vis–NIR) spectra of four major chromophores (Fe2+, Mn2+, Cr3+ and V3+) by collecting and extrapolating the spectra of four representative pyrope‐almandine‐spessartine (pyralspite) garnets. In order to study the color strength of these isolated chromophores and their impact on color change in garnet, we have proposed a new quantitative definition of strength of a chromophore. With the isolated garnet chromophore spectra, hypothetical garnet spectra with various chemical compositions can be simulated. By using these hypothetical garnet spectra, the impact of each chromophore on the color change behavior in pyralspite garnet was also quantitatively studied. Most pyralspite garnets can be successfully modeled using these four chromophores, however, this model cannot adequately describe those garnets containing the Fe3+/Fe2+ intervalence charge‐transfer transitions. Finally, a comprehensive excel data processing template (Appendix 3) written with VBA macro code was generated to help other researchers calculate colorimetric parameters and color panels from UV–Vis–NIR spectrum. In the template, we provided multiple types of conversion matrices and power distribution curves of different illuminants, so that different colorimetric parameter conversion and color panel calculation from UV–Vis–NIR spectrum can be selected with different combinations based on people's preference. The user guide of the excel template can be found in Appendix 4. The detailed calculation procedures and formulae used for the excel template can be found in Appendix 5.
Risk‐averse scheduling of an energy hub in the presence of correlated uncertain variables considering time of use and real‐time pricing‐based demand response programs
Authors: Allahvirdizadeh Yousef , Galvani Sadjad , Shayanfar Heidarali , Parsa Moghaddam Mohsen 
Published: March 2022

AbstractIn this paper, a risk‐based probabilistic short‐term scheduling of a smart energy hub (SEH) is presented considering the uncertain variables and the correlation between them. Neglecting the uncertainty of renewable energy sources (RESs), demands and market prices can make the obtained results unusable. In addition, correlations among uncertain variables may have similar importance on final solutions. To have a more realistic view, the stochastic nature of solar irradiation, wind generation, energy demands, and electrical/thermal/gas market prices are taken into consideration through uncertainty modeling. For this purpose, a probabilistic scenario‐based approach is implemented. The Monte Carlo simulation technique is employed to generate an adequate number of scenarios and the Cholesky decomposition technique combined with Nataf transformation is used to make the samples correlated. In addition, the k‐means data clustering technique is used to reduce the initial number of scenarios to the most representative 10 scenarios. The addressed SEH comprises photovoltaic panels/a wind turbine/a combined heat and power generation unit/a fuel‐cells power plant (FCPP)/a thermal/hydrogen storage system and plug‐in electric vehicles (PEVs). This study aims to optimize the economic aspects while reducing the pollution emissions of the SEH and controlling the risk level of SEH operation. To enhance the flexibility of the SEH in the management of supplying demands with lower costs, the thermal demand response program (DRP) is considered beside the electrical DRP. Two kinds of time of use (TOU) and real‐time pricing (RTP) DRPs are used for electrical and thermal loads. The conditional value at risk technique is taken into account to control the deviations of the SEH operation and emission costs. Simulation results show a reasonable reduction in operation and emission costs along with the risk level of the energy hub with the proposed approach. The operation emission, and risk costs are reduced by 37.39%, 32.11%, and 33.16%, respectively, with integrating PEVs, FCPP, and RTP‐DRPs. Moreover, integration of PEVs, FCPP along with TOU‐based DRPs contribute to reduce the operation emission, and risk costs by 10.47%, 9.03%, and 11.64%, respectively.
Prediction of methane adsorption capacity in different rank coal at low temperature by the Polanyi‐based isotherm model
Authors: Zhao Pengtao , Wang Haiqiao , Wang Long , Xu Dongfang , Ma Heyi , Guo Huaiguang 
Published: March 2022

AbstractTo investigate the adsorption properties of methane in coal under low temperatures, the isothermal adsorption tests of the three coal samples with different metamorphic degrees were conducted at the ambient temperatures of 253.15−293.15 K, and the low‐temperature nitrogen adsorption (LNA) tests of coal were also performed. Then a relational expression of equilibrium pressure, temperature, and methane adsorption capacity (T−Pmodel) was deduced to predict the adsorption isotherm at any other temperature based on the Polanyi adsorption theory. The results show that the gas adsorption capacity of coal can be significantly increased at low temperatures (below 273.15 K), and the adsorbed methane in anthracite is obviously more than that in lean coal and coking coal by the virtue of possessing a larger micropore/transition pore volume and specific surface area. The relations between adsorption potential (ε) and adsorption volume (ω) at different temperatures can be drawn on one single logarithmic curve, and a suitable pseudo‐saturation pressure can be obtained by the improved Amankwah's method. The predicted adsorbed capacities via theT−Pmodel are in line with the measured results at other equilibrium conditions, indicating that the model can contribute to the deep coalbed methane resources estimation and the gas disaster prevention and control in coal mines.
Deficient mitochondrial respiration in astrocytes impairs trace fear conditioning and increases naloxone‐precipitated aversion in morphine‐dependent mice
Authors: Murlanova Kateryna , Jouroukhin Yan , Huseynov Shovgi , Pletnikova Olga , Morales Michael J. , Guan Yun , Baraban Jay M. , Bergles Dwight E. , Pletnikov Mikhail V. 
Published: March 2022

AbstractMitochondria are abundant in the fine processes of astrocytes, however, potential roles for astrocyte mitochondria remain poorly understood. In the present study, we performed a systematic examination of the effects of abnormal oxidative phosphorylation in astrocytes on several mouse behaviors. Impaired astrocyte oxidative phosphorylation was produced by astrocyte‐specific deletion of the nuclear mitochondrial gene, Cox10, that encodes an accessory protein of complex IV, the protoheme:heme‐O‐farnesyl transferase. As expected, conditional deletion of the Cox10 gene in mice (cKO mice) significantly reduced expression of COX10 and Cytochrome c oxidase subunit I (MTCO1) of Complex IV, resulting in decreased oxidative phosphorylation without significantly affecting glycolysis. No effects of the deletion were observed on locomotor activity, anxiety‐like behavior, nociception, or spontaneous alternation. Cox10 cKO female mice exhibited mildly impaired novel object recognition, while Cox10 cKO male mice were moderately deficient in trace fear conditioning. No group‐related changes were observed in conditional place preference (CPP) that assessed effects of morphine on reward. In contrast to CPP, Cox10 cKO mice demonstrated significantly increased aversive behaviors produced by naloxone‐precipitated withdrawal following chronic exposure to morphine, that is, jumping and avoidance behavior as assessed by conditional place aversion (CPA). Our study suggests that astrocyte oxidative phosphorylation may contribute to behaviors associated with greater cognitive load and/or aversive and stressful conditions.
Oral and intranasal vaccines against SARS‐CoV‐2: Current progress, prospects, advantages, and challenges
Authors: Kar Sanchita , Devnath Popy , Emran Talha B. , Tallei Trina E. , Mitra Saikat , Dhama Kuldeep 
Published: March 2022

AbstractBackgroundThe severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) has caused a deadly pandemic in the 21st century, resulting in many deaths, economic loss, and international immobility. Vaccination represents the only mechanism to defeat this virus. Several intramuscular vaccines have been approved and are currently used worldwide.Main bodyHowever, global mass vaccination has not been achieved owing to several limitations, including the need for expertise to administer the injection‐based vaccine, improper distribution of the vaccine, and lack of cold chain facilities, particularly in resource‐poor, low‐income countries. Mucosal vaccines are typically administered either orally or nasally, and several studies have shown promising results for developing these vaccines against SARS‐CoV‐2 that might serve as viable alternatives to current vaccines. SARS‐CoV‐2 invades the human body via oral and nasal mucosal surfaces; thus, an oral or nasal vaccine can trigger the immune system to inhibit the virus at the mucosal level, preventing further transmission via a strong mucosal and systematic immune response. Although several approaches toward developing a mucosal vaccine are currently being tested, additional attention is required.ConclusionIn this article, the current approaches used to develop effective oral and nasal mucosal vaccines against SARS‐CoV‐2 and their benefits, prospects, and challenges have been summarized.
Lung CT image enhancement based on total variational frame and wavelet transform
Authors: Wang Hongfei , Yang Ping , Xu Chuan , Min Lei , Wang Shuai , Xu Bing 
Published: March 2022

AbstractBenefitting from the development of computer vision, computed tomography (CT) images have been used for assisting doctor's clinical diagnosis and improving the diagnostic efficiency. However, there exist some issues in medical images, such as low contrast, obscure detail, and complex noise due to the restriction of the system and the equipment in the process of imaging, medical images. To resolve these issues, a novel lung CT image enhancement method based on total variational framework combined with wavelet transform is proposed. Firstly, low‐frequency structure layer with low contrast and high‐frequency details layer with complex noise signals are acquired by decomposing the original image using total variational framework. Then, through the analysis of the histogram distribution characteristics of CT image, structure layer requires contrast enhancement; at the same time, the detail layer performs wavelet transform adaptive threshold denoising to remove noise. Finally, weight fusion of processed structure layer and details layer is performed to obtain the final fusion enhancement CT images. Experimental results show that the proposed method can enhance the contrast of clinical lung CT images, improve the clarity of details, and effectively suppress artifacts and complex noises. Contrast and sharpness—objective indicators—prove the proposed method's advantages. Subjectively, the proposed method performs superior over other existing CT enhancement methods, which achieves a better visual recognition.
Toxicological effects of Tris (1,3‐dichloro‐2‐propyl) phosphate exposure in adult male rats differ depending on the history of exposure in the neonatal period
Authors: Akimoto Takahiro , Kobayashi Shohei , Nakayama Airi , Isobe Anna , Abe Koudai , Hatakeyama Taichi , Ohta Ryo , Yanagisawa Rie , Koike Eiko , Suzuki Noriyuki , Kawaguchi Maiko 
Published: March 2022

AbstractThere is increasing concern about multiple high concentration exposure to toxins in disaster and emergency situations. However, conventional toxicology testing methods may not adequately address these situations. Thus, we assessed whether the toxic effects of exposure in the adulthood differ depending on the presence or absence of neonatal exposure to Tris (1,3‐dichloro‐2‐propyl) phosphate (TDCIPP) in male rats to investigate the effects of exposure history of chemicals. In the neonatal stage [postnatal days (PNDs) 1–7], animals were treated with either sesame oil (5 ml/kg/day) as a control or TDCIPP (250 mg/kg/day) dissolved in sesame oil. In adulthood (PND 101–107), animals were treated with either sesame oil (5 ml/kg/day) or TDCIPP (650 mg/kg/day). One day after the final administration, dissection was performed, and body and organ weight, hematology, blood biochemistry, and histopathology were examined. The results demonstrated that the toxic effects of TDCIPP exposure in adulthood on adrenal gland size, serum iron content, and unsaturated iron binding capacity were enhanced by TDCIPP exposure in the neonatal stage. From these findings, it was indicated that the toxic effects of TDCIPP exposure in the adult stage are affected by pediatric exposure. These results suggest that the toxic effects of high‐dose and long‐term unsteady exposure to chemicals in large‐scale disasters may change based on the exposure history of chemicals.
Possible effects of Treponema pallidum infection on human vascular endothelial cells
Authors: Xie Bibo , Zhao Tie , Zhao Sisi , Zhou Jie , Zhao Feijun 
Published: March 2022

AbstractPathogens can affect host cells in various ways, and the same effect can be found in the Treponema pallidum acting on the endothelium of host vessels, and the mechanism is often complex and multiple. Based on the existing T. pallidum of a cognitive framework, the first concerns involving T. pallidum or the bacteria protein directly acted on vascular endothelial cells of the host, the second concerns mainly involved in the process of T. pallidum infection in vivo blood lipid change, secretion of cytokines and the interactions between immune cells indirectly. Through both direct and indirect influence, this study explores the role of host by T. pallidum infect in the process of the vascular endothelium.
Acute‐on‐chronic liver failure: Epidemiology, prognosis, and outcome of a multicenter study in Thai population
Authors: Chirapongsathorn Sakkarin , Teerasarntipan Tongluk , Tipchaichatta Krit , Suttichaimongkol Tanita , Chamroonkul Naichaya , Bunchorntavakul Chalermrat , Siramolpiwat Sith , Chainuvati Siwaporn , Sobhonslidsuk Abhasnee , Leerapun Apinya , Piratvisuth Teerha , Sukeepaisarnjaroen Wattana , Tanwandee Tawesak , Treeprasertsuk Sombat 
Published: March 2022

AbstractBackground and AimAcute‐on‐chronic liver failure (ACLF) leads to multi‐organ failure related to high mortality rates. This study aimed to gather epidemiological data and validate a scoring system to predict mortality in ACLF.MethodsThis retrospective cohort study collected data from multicenter tertiary care hospitals in Thailand. A total of 638 hospitalized patients (acute decompensated liver disease [ADLD], 292 patients; ACLF, 346 patients) from January 2019 to June 2020 were enrolled in this study. We compared the mortality rate at days 30 and 90 between patients with ADLD and ACLF. Areas under the receiver operating characteristic (AUROC) curves of chronic liver failure–sequential organ failure assessment (CLIF‐SOFA) and other existing scoring systems were compared among patients with ACLF.ResultsThe incidence of patients with ACLF was 54%. The main cause of chronic liver disease was alcohol (38%), with sepsis (50%) as the most common precipitating factor. ACLF with coagulopathy (AUROC 0.58, 95% confidence interval [CI]: 0.52–0.64), metabolic acidosis (AUROC 0.58, 95% CI: 0.52–0.64), and high aspartate aminotransferase (AST) (AUROC 0.59, 95% CI: 0.53–0.66) were associated with high 30‐day mortality. The 30‐day mortality rate of patients with acute decompensation and patients with ACLF was 46 and 58%, respectively. Respiratory system (P = 0.001) failure was the major end result in ACLF and constituted a significant factor to predict mortality. The AUROC of CLIF‐SOFA score was superior to that of the other predicted score (AUROC 0.64, 95% CI: 0.585–0.704).ConclusionPatients with ACLF with more organ failure and high CLIF‐SOFA score were associated with high short‐term mortality. Future studies should include an ACLF prospective registry to confirm these finding.
Subdivisions of maximal 3‐degenerate graphs of order d+1 $d+1$ in graphs of minimum degree d $d$
Authors: Diwan Ajit A. 
Published: March 2022

AbstractWe prove that every graph of minimum degree at least contains a subdivision of some maximal 3‐degenerate graph of order . This generalizes the classic results of Dirac () and Pelikán (). We conjecture that for any planar maximal 3‐degenerate graph of order , every graph of minimum degree at least contains a subdivision of . We verify this in the case is and .
Communication regarding the article “An efficient primary screening COVID‐19 by serum Raman spectroscopy”
Authors: Soares Felipe , Yamashita Gabrielli 
Published: March 2022

AbstractWhen performing computational modeling and machine learning experiments, it is imperative to follow a protocol that minimizes bias. In this communication, we share our concerns regarding the article “An efficient primary screening COVID‐19 by serum Raman spectroscopy” published in this journal. We consider that the authors may have inadvertently biased their results by not guaranteeing complete independence of test samples from the training data. We corroborate our point by reproducing the experiment with the available data, showing that if full independence of the test set was ensured, the reported results should be lower. We ask the authors to provide more information regarding their article, as well as making available all code used to generate their results. Our experiments are available at https://doi.org/10.6084/m9.figshare.14124356.
Hyper‐Raman scattering study of the soft mode in relaxor ferroelectric (Ba0.8Sr0.2)0.925Bi0.05Ti0.95(Zn1/3Nb2/3)0.05O3
Authors: Dhifallah Nabil , Hehlen Bernard , Khemakhem Hamadi 
Published: March 2022

AbstractWe report hyper‐Raman scattering measurements of the lowest transverse optic (TO) phonon branch in the relaxor Bi0.05‐BSTZN in the paraelectric phase from 300 to 973 K. The results evidence a displacive‐like behavior from a highly damped soft mode at high temperature to an overdamped (quasi‐elastic‐like) component on cooling close to Tc. A fit with a mean field law
gives a temperature T0 = 102 K significantly lower than T0 = 188 K found by dielectric measurements. Reconciling the two experiments likely deserves considering a coupled modes analysis involving a second mode at slightly higher wavenumber. This behavior is very similar to that previously observed in PMN. Considering the rather complex chemical composition of the present compound as compared with PMN, these results emphasize a universal low‐wavenumber dynamics of ferroelectric relaxors.