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After the housing crisis in 2009 that affected the global economy and the bubble that burst, researchers began to focus on how to estimate house prices. In the United States, for instance, they adopted the hedonic price index (HPI) method in estimating house prices. After Ames house pricing dataset was released, which contains houses data from 2006 to 2010, and detailed features that help in studying the estimation of house prices. In this paper, we suggest that House prices are determined by many features such as area, utilities, house style, location, age, grade living area, number of bedrooms, garage, and so on. Statistical methods were applied with two models which are multiple and stepwise linear regression, also, two machine learning algorithms which are LASSO and XGBoost regression. The accuracy of prediction was evaluated by the root mean square error (RMSE). XGBoost with 25 features, 0.973 R2, and 0.027 RMSE is the Best model. LASSO has helped in feature selection for XGBoost. [ABSTRACT FROM AUTHOR]

Whether spending time at Iowa State University, serving together on various committees and projects, or getting together at meetings, we always looked forward to the opportunity to spend time with Rohan, where Steve could be assured to leave with a new idea to pursue and Kathy would be caught up on Rohan's kids. About one year ago, some of us learned that Rohan Fernando had announced his intention to retire from his position as Professor of Animal Science at Iowa State University. When I would talk to him while he was at Iowa State University, Professor Rohan was always excited by a new programming language, be it C + + or Julia, talking excitedly about how one could use it to program a famous differential equation as elegantly as possible. Max F. Rothschild (Iowa State University, United States) It has been a great personal and professional pleasure to know and work with Dr. Rohan Fernando in the Animal Breeding and Genetics group at Iowa State University these many years. [Extracted from the article]

Assessing the mutagenicity of chemicals is an essential task in the drug development process. Usually, databases and other structured sources for AMES mutagenicity exist, which have been carefully and laboriously curated from scientific publications. As knowledge accumulates over time, updating these databases is always an overhead and impractical. In this paper, we first propose the problem of predicting the mutagenicity of chemicals from textual information in scientific publications. More simply, given a chemical and evidence in the natural language form from publications where the mutagenicity of the chemical is described, the goal of the model/algorithm is to predict if it is potentially mutagenic or not. For this, we first construct a golden standard data set and then propose MutaPredBERT, a prediction model fine-tuned on BioLinkBERT based on a question-answering formulation of the problem. We leverage transfer learning and use the help of large transformer-based models to achieve a Macro F1 score of >0.88 even with relatively small data for fine-tuning. Our work establishes the utility of large language models for the construction of structured sources of knowledge bases directly from scientific publications. [ABSTRACT FROM AUTHOR]

The goal of this paper is to analyze the implementation of an automation valuation model in real estate and provide insight regarding its behavior when faced with real world data. An automated valuation model was implemented using two different datasets from Ames Iowa and Athens Greece. The models implemented were a KNeighborsRegressor, a GradientBoostingRegressor, a DecisionTreeRegressor, a Random Forest Regressor, a Stacked Regressor, and a Neural Network. The best scoring model for both datasets was the Random Forest Regressor. Two different methods were used for the evaluation of the above models. These methods include testing using twenty percent of the starting dataset and testing using a custom dataset created by authorized property appraisers. In both techniques, the models scored similarly, with only a three percent difference in accuracy, showcasing the rigidity and robustness of the valuation model when faced with external and quality assured data. [ABSTRACT FROM AUTHOR]

Staphylococcus aureus (SA) plays a significant role in numerous serious life-threatening infections that present a major challenge to public health in controlling it, especially those resistant to methicillin (MR) known as (MRSA). These pathogens have resistance to other classes of antimicrobial agents including aminoglycoside molecules which mostly resist it through three types of medically significant enzymes: APH (3')-III, ANT (4')-I and (6')/APH(2"). In this paper, seventy-two MRAS were isolated from different lesions from Al-Diwaniya teaching hospital, and Maternity and Children teaching hospital, during the period from January to July 2018. Disc diffusion method, minimum inhibitory concentration(MIC), and bactericidal (MBC) were carried out to MRAS strains subjected to phenotype and genotype identification as well as to detect AMEs genes. Susceptibility of 29 drugs of MRAS strains was: 100% susceptible to vancomycin and chloramphenicol, but 100% resistant to penicillin, cefoxitin, ceftriaxone, aztreonam, and nitrofurantoin. Thus, a (72.2%) of MRAS were found to be either MDR or XDR including 20 aminoglycoside resistant (AR) strains. Multiple antibiotic resistance (MAR) index of a total of 20(100%)AR strains were recorded high values>0.2 ranged(0.48-0.83) from the maximum MAR index:1. Moreover, MIC and MBC values of vancomycin, for S. aureus, ranged from 2 μ g/mL t o 8 μ g/mL. P henotype r esistance o f M RSA strains to aminoglycoside molecules was: kanamycin 20(27.8%)tobramycin 18(25%); gentamicin 16(22.2%);amikacin 14(19.4%); and netilmicin 8(11.1%). PCR analysis led to all 100% MRSA caring for the mecA gene. Frequency of genes encoding aminoglycosides resistance aac(6')/aph (2");80%, aph (3')-IIIa;45%, and ant (4')-Ia; 35%. The aac(6')/aph (2") and ant (4')-Ia genes was the only determinant of resistance in 5 and 1 strains respectively. Correlation between MRSA-AR strains and AMEs genes was 90%. In conclusion, MRSA strains harbouring the mecA gene are currently widely distributed in the Al-Diwaniya governorate. Co-production with AMEs may increase the risk of the spreading of multiple drug resistance clinical strains in communities and hospitals. [ABSTRACT FROM AUTHOR]

Background: This paper describes the clinical practice and performance of cell-free DNA sequencing-based non-invasive prenatal testing (NIPT) as a screening method for fetal trisomy 21, 18, and 13 (T21, T18, and T13) and sex chromosome aneuploidies (SCA) in a general Italian pregnancy population. Methods: The AMES-accredited laboratory offers NIPT in maternal blood as a screening test for fetal T21, T18, T13 and SCA. Samples were sequenced on a NextSeq 550 (Illumina) using the VeriSeq NIPT Solution v1 assay. Results: A retrospective analysis was performed on 36,456 consecutive maternal blood samples, including 35,650 singleton pregnancies, 800 twin pregnancies, and 6 triplet pregnancies. Samples were tested between April 2017 and September 2019. The cohort included 46% elevated-risk and 54% low-risk patients. A result indicative of a classic trisomy was found in 356 (1%) of singleton or twin samples: 254 T21, 69 T18, and 33 T13. In addition, 145 results (0.4%) were indicative of a SCA. Of the combined 501 screen-positive cases, 484 had confirmatory diagnostic testing. NIPT results were confirmed in 99.2% (247/249) of T21 cases, 91.2% (62/68) of T18 cases, 84.4% (27/32) of T13 cases, and 86.7% (117/135) of SCA cases. In the 35,955 cases reported as unaffected by a classic trisomy or SCA, no false negative cases were reported. Assuming that false negative results would be reported, the sensitivity of NIPT was 100.00% for T21 (95% Cl 98.47–100.0), T18 (95% Cl 94.17–100.0), and T13 (95% Cl 87.54–100.0). The specificities were 99.99% (95% Cl 99.98–100.0), 99.98% (95% Cl 99.96–100.0), 99.99% (95% Cl 99.97–100.0), and 99.95% (95% Cl 99.92–99.97) for T21, T18, T13, and SCA, respectively. Conclusion: This retrospective analysis of a large cohort of consecutive patients who had whole-genome sequencing-based NIPT for classic trisomies and SCA shows excellent detection rates and low false positive rates. [ABSTRACT FROM AUTHOR]

The main goal of this article is to study how people describe emotions related to places and to improve understanding of evocative places, their locations and characteristics as described by the citizens. Evocative places are places that evoke an especially emotional response in terms of images, memories and/or emotions. We aim to contribute to a better understanding of emotions in relation to places. Our study concentrates on Ames, a small university town in the Midwest in North America. The collected 192 locations show two areas with high concentrations of evocative places, specifically the university campus and Ada Hayden Heritage Park. This study opened up challenging research questions related to fuzzy or non-existing boundaries of places, a variety of shapes of places, and questions related to the challenges of modelling emotions as objects or attributes in a geographic information system. We conclude the article with main findings and further research directions. [ABSTRACT FROM AUTHOR]

Natural antimicrobial peptides (AMPs) and enzymes (AMEs) are promising non-antibiotic candidates against antimicrobial resistance but suffer from low efficiency and poor stability. Here, we develop peptide nanozymes which mimic the mode of action of AMPs and AMEs through de novo design and peptide assembly. Through modelling a minimal building block of IHIHICI is proposed by combining critical amino acids in AMPs and AMEs and hydrophobic isoleucine to conduct assembly. Experimental validations reveal that IHIHICI assemble into helical β-sheet nanotubes with acetate modulation and perform phospholipase C-like and peroxidase-like activities with Ni coordination, demonstrating high thermostability and resistance to enzymatic degradation. The assembled nanotubes demonstrate cascade antifungal actions including outer mannan docking, wall disruption, lipid peroxidation and subsequent ferroptotic death, synergistically killing >90% Candida albicans within 10 min on disinfection pad. These findings demonstrate an effective de novo design strategy for developing materials with multi-antimicrobial mode of actions. Natural antimicrobial peptides and enzymes are good candidates for application but suffer from low stability. Here, the authors report on biomimetic self-assembling peptides which mimic both antimicrobial peptide and enzyme functionality, demonstrating application against fungal infection. [ABSTRACT FROM AUTHOR]

Torrey Peters' debut novel Detransition, Baby from 2021, a Women's Prize for Fiction nominee, problematizes gender norms by telling the story of three main characters: Reese, a trans woman, Ames, who de-transitioned to live as a man again, and Katrina, a Chinese and Jewish cis woman who is also Ames' lover and boss. Ames and Katrina are expecting a child and are testing the possibilities of having a non-conventional family together with Reese. Parenthood is, thus, the central theme of the novel which structures also the sections of book into the time before the conception and the weeks after it. By doing so, the temporal framework of the novel queers the linearity of heteronormative life courses on the form as well as the content level. Therefore, the interplay of form and content invites to critically investigate how the concept of trans time that challenges linearity and normative conformity (Halberstam, 2005) may provide useful insights into trans aging and the life course through this literary representation. Following, contemporary feminist theorists' commitments to negotiate what makes "life more livable for those whose gender presentation, identity, or bodily experience have been judged abnormal, nonexistent, or impossible" (Karhu, 2022, 304–305), this paper aims at carrying out a critical feminist literary analysis of trans aging, queer life courses and the thereof related gendered norms in Peters' novel. By relying predominantly on feminist poststructuralist theories (Butler 2004) and cultural aging studies (Maierhofer, 2019), it is the aim to challenge normativity and limited social norms through this critical literary reading. • Analysis of representation of trans aging in Peters' Detransition, Baby (2021) • Trans aging and the life course as a juxtaposition of conformity and queer temporalities • cultural ideals of trans gender as having no future • queer temporalities and trans time as useful discursive tools to challenge capitalist notions of the life course [ABSTRACT FROM AUTHOR]

To facilitate the data analysis of current and future high-resolution space telescope missions, we adopt 'Best Theory + Reliable High-resolution Experiment' (BTRHE) strategy to develop highly accurate infrared line lists for nitrous oxide (N2O). The 'Ames-1' potential energy surface (PES) is a CCSD(T)/aug-cc-pVQZ PES refined using selected HITRAN experimental data, with σrms = 0.02–0.03 cm-1 for five isotopologues. The 'Ames-1' dipole moment surface (DMS) is fitted from CCSD(T)/aug-cc-pV(T,Q,5)Z dipoles extrapolated to one electron basis set limit. Using the Ames-1 PES and DMS, Ames-296K line lists are computed in the full range of 0–15,000 cm-1 for 12 N2O isotopologues, with S296K ≥ 10−31 cm-1/molecule.cm-2. The reliability and consistency of Ames-296K intensity predictions (SAmes) are demonstrated through comparisons with HITRAN (SHITRAN), NOSL-296 (SNOSL), recent observed intensities (Sobs) and Effective Dipole Model (EDM) intensities (SEDM). Agreements and discrepancies are discussed, along with preliminary uncertainty estimate for SAmes. The SAmes provides a good constraint to prevent substantial errors in intensity predictions (e.g. for weak bands and minor isotopologues) and can be further improved. Ames-296K and NOSL-296 may complement each other to provide improved input for future database updates, combining the strengths of EH/EDM and BTRHE approaches. Data available at and https://doi.org/10.48667/9kmk-0334. [ABSTRACT FROM AUTHOR]

We report the synthesis of two new acyclic sulfated acyclic CB[n]‐type receptors (TriM0 and Me4TetM0) and investigations of their binding properties toward a panel of drugs of abuse (1–13) by a combination of 1H NMR spectroscopy and isothermal titration calorimetry. TetM0 is the most potent receptor with Ka≥106 M−1 toward methamphetamine, fentanyl, MDMA and mephedrone. TetM0 is not cytotoxic toward HepG2 and HEK 293 cells below 100 μM according to MTS metabolic and adenylate kinase release assays and is well tolerated in vivo when dosed at 46 mg kg−1. TetM0 does not inhibit the hERG ion channel and is not mutagenic based on the Ames fluctuation test. Finally, in vivo efficacy studies show that the hyperlocomotion of mice treated with methamphetamine can be greatly reduced by treatment with TetM0 up to 5 minutes later. TetM0 has potential as a broad spectrum in vivo sequestrant for drugs of abuse. [ABSTRACT FROM AUTHOR]

Optical, and especially fiber-optic techniques for the sensing of pH have become very attractive and considerable research progress in this field has been made over recent years. The determination of the value of pH across a broad range of applications today, important for areas of study such as life sciences, environmental monitoring, manufacturing industry and widely in biological research is now accessible from such optical sensors. The need for such technology arises because familiar, commercial sensors are often limited in terms of their response time and the presence of drift, all of which emphasize the value of newer and rapidly developing technologies such as fiber-optic sensors, to address these wider applications. As a result, a new compact sensor design has been developed, designed around a specially-formed fiber-optic tip, coated with a pH-sensitive dye, and importantly covalently linked to a hydrogel matrix to provide high stability. The sensor developed was designed to have a very fast response time (to 90% of saturation, Δt90) of <5 s and a sensing uncertainty of ∼±0.04 pH units. Given the covalently bonded nature of the dye, the problem of leaching of the indicator dye is reduced, creating a probe which has been shown to be very stable over many days of use. Illustrating this through extended continuous use, over ∼12 h at pH 7, this stability was confirmed showing a drift of <0.05 pH h−1. In order to give an illustration of the value of the probe in an important biological application, the monitoring of pH levels between pH 7 to pH 8 in an AMES' medium, a substance which is important to maintain the metabolism of retinal cells is shown and the results as well as temperature stability of the probe discussed. [ABSTRACT FROM AUTHOR]

In our study, we aimed the preparation of Saffron stamen aqueous extract (SSAE) loaded chitosan nanoparticles (CNPs) to be used topically for thermal burns. First, biological activity tests such as DNA binding, DNA cleavage and antibacterial activity were performed to determine the effectiveness of SSAE to be encapsulated. Additionally, a genotoxicity test was performed for the reliability of SSAE. Ionic gelation method was used for encapsulation, and SSAE‐loaded CNPs were obtained. Average particle size, zeta potential, polydispersity index (PdI), morphology, and releasing kinetics of the SSAE‐loaded CNPs and blank CNPs were determined. DNA binding showed that SSAE interacted with DNA electrostatically. It was determined that all doses of SSAE used in hydrolytic and oxidative DNA cleavage experiments cleave DNA. As a result of the Ames / Salmonella test, it was found that 1,25 mg SSAE was not genotoxic. Then, this concentration was used in nanoparticle synthesis. As a result of DLS analysis, it was determined that SSAE‐loaded CNPs have an average size of 57.61±1.234 nm, 0.175±0.008 PdI, and +14±0.755 mV zeta potential. Encapsulation efficiency and loading capacity of SSAE‐loaded CNPs calculated as 71.76 % and 2,64 % respectively. As a result of releasing kinetics, it was determined that 79.54 % of SSAE was released after 168 hours. Antibacterial results revealed that SSAE loaded CNPs were more effective against bacteria than blank SSAE. [ABSTRACT FROM AUTHOR]

The Ames/quantitative structure–activity relationship (QSAR) International Challenge Projects, held during 2014–2017 and 2020–2022, evaluated the performance of various predictive models. Despite the significant insights gained, the rules allowing participants to select prediction targets introduced ambiguity in model performance evaluation. This reanalysis identified the highest-performing prediction model, assuming a 100% coverage rate (COV) for all prediction target compounds and an estimated performance variation due to changes in COV. All models from both projects were evaluated using balance accuracy (BA), the Matthews correlation coefficient (MCC), the F1 score (F1), and the first principal component (PC1). After normalizing the COV, a correlation analysis with these indicators was conducted, and the evaluation index for all prediction models in terms of the COV was estimated. In total, using 109 models, the model with the highest estimated BA (76.9) at 100% COV was MMI-VOTE1, as reported by Meiji Pharmaceutical University (MPU). The best models for MCC, F1, and PC1 were all MMI-STK1, also reported by MPU. All the models reported by MPU ranked in the top four. MMI-STK1 was estimated to have F1 scores of 59.2, 61.5, and 63.1 at COV levels of 90%, 60%, and 30%, respectively. These findings highlight the current state and potential of the Ames prediction technology. [ABSTRACT FROM AUTHOR]

Leaves of Newbouldia laevis have been extensively used in solving problems associated with infertility and childbirth in many African countries. Yet, information is very limited on the DNA damaging potential of this plant. This study evaluated the cytogenotoxic effect of the aqueous extract of N. laevis leaf using prokaryotic models (Ames Salmonella fluctuation test using TA100 and TA98 strains of Salmonella typhimurium and SOS Chromotest with Escherichia coli PQ37) and eukaryotic model (Allium cepa root cells). Identification of the volatile organic compounds (VOCs) and phytochemical screening of the plant extract were also performed. Onion bulbs were grown on each concentration (1 to 50%; v/v, extract/tap water) of the extract for chromosomal aberrations and root growth analyses. Results of the Ames test indicated that the extract is mutagenic while the SOS Chromotest results showed good complementation to the Ames test results, although the E. coli PQ37 system showed slightly higher sensitivity in the detection of mutagenicity and genotoxicity of the extract. The plant extract was cytotoxic when compared to the control, inducing a significant (p < 0.05) concentration-dependent inhibition of root growth from 5 to 50% concentrations. At 50% concentration, the extract completely inhibited cell division in the A. cepa. Also, chromosomal aberration increased significantly (p < 0.05) in exposed onions from 5 to 20% concentrations. The mutagenicity and cytogenotoxicity recorded in this report were believed to be caused by the presence of VOCs such as 1,2,3-benzene-triol, 1,2-benzenediol, and 5-hydroxymethylfurfural, and alkaloids in the extract an indication of the cytogenotoxicity of the aqueous extract of N. laevis leaf even at low concentration. [ABSTRACT FROM AUTHOR]

Introduction: Cannabidiol (CBD) is one of many naturally biosynthesized compounds produced by Cannabis sativa. There is limited information available in the literature on hydrogenated CBD (tetrahydro cannabidiol or H4CBD) (Adams et al., 1940b). As hydrogenated derivatives of tetrahydrocannabinol (THC) and CBD become increasingly popular in consumer markets, toxicological assessments are vital in identifying toxic characteristics, if any, caused by hydrogenated cannabinoids. Objectives: Assessment of the preclinical toxicology of hydrogenated CBD is provided through the in vitro safety study of racemic H4CBD in hepatocytes, normal human lung fibroblasts (NHLF), and primary human neural progenitor (NPC) cell lines. The importance of these cell lines is related to major organs and is the primary focus in determining any major toxic characteristics when consuming products. The inclusion of the human ether-a-go-go related gene (hERG) patch clamp test, observes any inhibition of sodium and potassium ion channels related to the arrhythmia of the heart. Also, the AMES test was conducted to determine any carcinogenic characteristics that H4CBD might impose. Materials and Methods: Plated NHLF, hepatocytes, and NPC were used in a preclinical 3-[4,5-dimethylthiazol-2-yl]-2,5 diphenyl tetrazolium bromide (MTT) assay for cytotoxicity observations with the visible color change of cellular use of formazan, while a plated AMES test was conducted to monitor any visible mutations within Escherichia coli for carcinogenic activity. Plated cloned HEK293 cells were given set voltages to determine ion channel activity to determine if H4CBD causes inhibition within these pathways, which would mimic any arrhythmia potential in cardiomyocytes. Results: Screening of the MTT assay had a median calculated 3.25 micromolar concentration where cell viability remained high in NHLF and NPC, with higher concentrations leading to decreased cell viability. A 3.25 micromolar concentration is also the median for hepatocytes, with a discrepancy in some of the data that could be accounted for by miscounting colonies. The hERG patch clamp test provided a zero net inhibition with values adding up to zero, determining that the compound did not inhibit normal processes within the ion channels of the plated HEK293 cells. The analysis of the different cell types revealed varying responses to H4CBD. NHLF exhibited a concentration-dependent reduction in cell viability, with sustained concentrations over 24 h at 6.25 µM resulting in a significant loss of viability. Conversely, hepatocytes showed a trend of decreased viability at longer exposure times and higher concentrations, but severe cytotoxicity was not observed. This suggests that hepatocytes are less susceptible to the cytotoxic effects of H4CBD compared to NHLF. In the hERG assay, H4CBD did not inhibit the action potentials within cardiomyocytes, indicating no inhibition of ion channels involved in cardiac function. This finding is important for assessing the potential cardiovascular effects of H4CBD. The AMES test results were negative, indicating that H4CBD did not demonstrate mutagenic activity in the tested strains. Conclusion: This supports the conclusion that H4CBD does not possess carcinogenic potential based on this assay. Both human NPC and NHLF showed a median concentration of 3.25 µM before exhibiting a significant reduction in cell viability. This information is valuable for determining research or consumer usage limits for H4CBD. It is important to note that this study represents a preclinical assessment, and further studies are required. The experimental design followed protocols typically used for preclinical assessments of novel pharmaceuticals. These findings provide insight into the cytotoxic effects of H4CBD and contribute to establishing research and safety parameters as these compounds continue to gain attention. [ABSTRACT FROM AUTHOR]

The role of policies and public school canteens as drivers of sustainable and healthy diets is increasingly becoming the center of attention of academics and policy-makers alike. This work therefore aims to assess the environmental, economic and nutritional quality dimensions of the menus consumed across the Local Network of School Canteens in the municipality of Ames (Galicia, Spain). It additionally performs different scenarios to evaluate the effects on the environment-cost-nutritional quality trilemma of implementing two major dietary changes in these menus: introducing more organic products, and shifting toward a more plant-based consumption pattern. To this end, this study considers the following indicators: a) those obtained from an energy and carbon life cycle assessment of the school menus (cradle-to-grave approach), mainly the cumulative energy demand (CED) and the carbon footprint (CF), complemented by some energy efficiency indicators; b) the total cost (TC) of the menus, obtained from their life cycle cost assessment (cradle-to-fork approach); and c) the nutritional quality of the menus, calculated and assessed based on the nutrient rich diet index (NRD 9.3). The CED, CF, TC, and NRD 9.3 index of a daily meal at school canteens are, respectively, estimated at 18.87 MJ, 1.30 kg CO2-eq, EUR 4.65, and 278 per meal. The consumption of animal products and labor (for food preparation) are identified, respectively, as the main environmental impact and economic cost of the menus. The results of our research show how implementing changes in consumption habits toward a more vegetarian diet in school menus makes it possible to include organic products to generate the most positive effects in terms of the environment and nutrition without incurring in cost overruns. Our work discusses the main barriers to be overcome and the political actions that must be enforced to advance the procurement of more sustainable and healthy public food. [ABSTRACT FROM AUTHOR]

In order to provide an accurate State-Of-Health (SOH) estimation, a novel estimation method is proposed in this paper. In this work, some battery SOH relate features are selected theoretically, proved and then re-screened mathematically. These features can reflect the battery degeneration from different aspects. Also, a new training set design idea is proposed for Least Squares Support Vector Machine algorithm, thereby a model that is suitable for lithium-ion Battery SOH estimation under multi-working conditions can be built. Several lithium-ion battery degeneration testing datasets from National Aeronautics and Space Administration Ames Prognostics Center of Excellence are used to validate the proposed method. Results demonstrate both the superiority of the proposed method and its potential applicability as an effective SOH estimation method for embedded Battery Management System. • A novel estimation method for State-Of-Health estimation is proposed. • Some features related to battery SOH are selected and re-screened mathematically. • A model for lithium-ion Battery SOH estimation under multi-working conditions is built. [ABSTRACT FROM AUTHOR]

For line intensity: • Systematic investigation on the isotopologue consistency of CO 2 and SO 2 IR/MW intensity. • Interesting TDM/Einstein-A patterns found for CO 2 vibrational polyads, SO 2 and CO 2 MW, fundamentals, hotbands, etc. For line positions: • First 2nd-round implementation of BTRHE strategy to minimize the isotope/mass dependent residuals. • –– Two orders of magnitude improvement for SO 2 MW prediction accuracy: 0.01-0.02 MHz (A/B/C), 0-5 MHz (J/Ka<20 lines). • This approach starts from and targets at higher accuracy, can easily extend to other bands or molecules. The semi-empirical molecular rovibrational IR line lists, such as ExoMol, TheoReTs, and Ames, combine the experimental accuracy and theoretical power to reach better than 0.1 cm−1 accuracy for line positions and better than 80–90% agreement for line intensities. The quality of these existing semi-empirical IR lists allows further improvements of intensity and line positions for those unobserved minor isotopologues. This paper presents our new BTRHE (Best Theory + Reliable High-resolution Experiment) strategy implementation. For line intensity, the isotopologue consistency and the patterns of mass dependence in the Ames-296 K SO 2 and CO 2 IR lists are quantitatively presented along the mass-inverse coordinates. The consistency and patterns are better than those in existing experimental data. The methodology proposed here can be used to identify inconsistencies, outliers, and mistakes in intensities, and help improve Effective Dipole Model (EDM) and molecular IR databases. We call for an experimental study on the 50006 and 60007 bands of CO 2 628. For line position predictions, a simple approach combining the variational IR line lists with Effective Hamiltonian (EH) model may refine the effective rotational constants A 0 /B 0 /C 0 and quartic centrifugal distortion constants of minor isotopologues. The prediction accuracy may be improved by two orders of magnitude, i.e. reaching 0–5 MHz prediction accuracy in the range of J < 20–30, K a < 10–20, and 0.01–0.02 MHz accuracy for A 0 /B 0 /C 0. Several important factors have been systematically investigated and discussed, e.g. convergence, uncertainties, higher order terms, fixing EH parameters, mass coordinates, etc. A microwave (MW) line set consisting of 644,636 strong transitions (at 296K) for all 30 isotopologues and corresponding refined EH(Ames) parameters are reported in the supplementary material. This approach may be easily extended to rovibrational bands, hot bands, and other molecular systems. [ABSTRACT FROM AUTHOR]

Synthesis of nanoparticles can be long and costly processes using physical and chemical methods. Biological synthesis of nanoparticles is known to be cheaper and easier than other methods. In this study, silver nanoparticles (AgNP) were obtained by biological synthesis, also known as green synthesis, using Sorghum bicolor var. technicum (Körn) Stapf ex Holland seed extract, popularly known as sorghum. AgNPs were characterised by SEM, EDS, TEM, FT-IR, and UV-Vis Spectroscopy. SEM images confirmed that the shape of AgNPs was spherical. TEM analysis showed that the average sizes of AgNPs ranged from 51 to 56 nm. EDS analysis confirmed the presence of AgNPs by detecting a silver ion peak at 3 KeV. UV-Vis spectroscopy analyses indicated that the brown-burgundy colour of AgNPs exhibited maximum absorbance at 450 nm. The biological activities of the extract and AgNPs were investigated through antimicrobial, antibiofilm, antioxidant, mutagenic, and DNA cleavage activity analyses. The extract exhibited the highest MIC value against Gram-positive bacterium Bacillus subtilis (0.62 μg mL−1), whereas AgNPs demonstrated the highest antimicrobial activity specifically against Gram-negative bacterium Escherichia coli (0.31 μg mL−1). The antibiofilm results revealed that the extract displayed the highest percentage of biofilm inhibition against B. subtilis, while AgNPs exhibited notable efficacy against both Candida albicans yeast and Pseudomonas aeruginosa bacterium. The antioxidant activities were evaluated using DPPH• and ABTS•+ methods, and it was determined that both samples had high antioxidant activity. Mutagenicity of the extract and AgNPs were evaluated by the Ames/Salmonella test using two strains of Salmonella typhimurium (TA98 and TA100). The mutagenic activity of the extract increased depending on the concentration for both strains, while AgNP did not show mutagenicity at any concentration. The agarose gel electrophoresis method showed that the extract and AgNPs cleaved DNA in the presence of an oxidising agent. [ABSTRACT FROM AUTHOR]

The use of biofuel is one method for limiting the harmful impact of diesel engines on the environment. It is also a way of gradually becoming less dependent on the depleting petroleum resources. New resources for producing biodiesel are currently being sought. The authors produced esters from animal fat waste, obtaining a fuel that can power diesel engines and identifying a way to utilise unnecessary waste. The animal fat methyl ester (AME) was produced using a reactor constructed for non-industrial ester production. The aim underlying this paper was to determine whether a diesel engine can be fuelled with AME biodiesel and to test this fuel's impact on exhaust gas composition and fuel consumption. Fuelling a Perkins 1104D-44TA engine with AME biodiesel led to a reduction in the smoke opacity of the exhaust gas as well as in carbohydrate, particulate matter, and carbon monoxide concentrations. The carbon dioxide concentrations were similar for biodiesel and diesel fuel. Slight increases in nitrogen oxides concentrations and brake-specific fuel consumption were found for AMEs. An engine can be fuelled with AME biodiesel, but it is necessary to improve its low-temperature properties. [ABSTRACT FROM AUTHOR]

N-Nitrosamines are well known as environmental carcinogens. We have reported that N-nitroso-N-methylbutylamine was oxidized by Fe2+-Cu2+-H2O2 to 5-methyl-5-nitro-1-pyrazoline, a direct-acting N-oxide. 1-Pyrazolines have not been reported to exhibit genotoxicity. In this study, we investigated the effect of N-oxidation on the mutagenicity of 1-pyrazolines using the Ames assay. The mutagenicity of 5-alkyl-5-nitro-1-pyrazoline 1-oxide (1a; methyl, 1b; ethyl), the N-oxide isomer (3-alkyl-3-nitro-1-pyrazoline 1-oxide; 2a; methyl, 2b; ethyl), and the corresponding nonoxides (3-alkyl-3-nitro-1-pyrazoline; 3a; methyl, 3b; ethyl) was assayed in Salmonella typhimurium TA1535 and Escherichia coli WP2uvrA. The ratios of mutagenic potency in S. typhimurium TA1535 versus E. coli WP2uvrA were compared with those of N-alkylnitrosoureas. To predict the reaction site on the pyrazolines with nucleophiles, the electron density of the pyrazolines was obtained by theoretical calculations. The pyrazolines were mutagenic in S. typhimurium TA1535 and E. coli WP2uvrA. The ratio of S. typhimurium TA1535 to E. coli WP2uvrA 1a (87:13) or 1b (90:10) was similar to that of N-ethyl-N-nitrosourea (70:30). In contrast, the mutagenic ratio of 2a (22:78) or 2b (52:48) was similar to that of N-propyl-N-nitrosourea (48:52) or N-butyl-N-nitrosourea (14:86). The ratio of 3a (53:47) or 3b (54:46) was similar to that of N-propyl-N-nitrosourea or N-butyl-N-nitrosourea. The pyrazolines exhibit genotoxicity, and the mutagenic potency of the 1-pyrazolines is influenced by N-oxidation. We estimated that the mutagenicity of 1a or 1b was caused by DNA ethylation, and the isomers or the nonoxides were mutagenic via formation of alkylated DNA, which contains an alkyl chain longer than the propyl. [ABSTRACT FROM AUTHOR]

Cellular senescence, a hallmark of aging, has been implicated in the pathogenesis of many major age-related disorders, including neurodegeneration, atherosclerosis, and metabolic disease. Therefore, investigating novel methods to reduce or delay the accumulation of senescent cells during aging may attenuate age-related pathologies. microRNA-449a-5p (miR-449a) is a small, noncoding RNA down-regulated with age in normal mice but maintained in long-living growth hormone (GH)-deficient Ames Dwarf (df/df) mice. We found increased fibroadipogenic precursor cells, adipose-derived stem cells, and miR-449a levels in visceral adipose tissue of long-living df/df mice. Gene target analysis and our functional study with miR-449a-5p have revealed its potential as a serotherapeutic. Here, we test the hypothesis that miR-449a reduces cellular senescence by targeting senescence-associated genes induced in response to strong mitogenic signals and other damaging stimuli. We demonstrated that GH downregulates miR-449a expression and accelerates senescence while miR-449a upregulation using mimetics reduces senescence, primarily through targeted reduction of p16Ink4a, p21Cip1, and the PI3K-mTOR signaling pathway. Our results demonstrate that miR-449a is important in modulating key signaling pathways that control cellular senescence and the progression of age-related pathologies. [ABSTRACT FROM AUTHOR]

Five different types of synthesized azadispiro derivatives have been analyzed for radiation absorption capacity and determined their potential to be exploited as substances for a drug to be developed against radiation has been investigated. Fast neutron attenuation parameters like the effective mean free path, half-value layer (HVL), removal cross-sections, and neutron transmission number were found with the Monte Carlo simulation Geometry And Tracking (GEANT4) code. Gamma radiation absorption parameters, such as effective atom number (Zeff), mean free path (MFP), mass attenuation coefficient (MAC), and half-value layer (HVL) were theoretically determined with WinXCom software. Besides, the exposure build-up factor (EBF) was calculated by using GP fitting parameters. Neutron absorption dose rate was experimentally calculated with 241Am-Be fast neutron source which has 4.5 MeV of energy, 74 GBq activity, and portative BF3 neutron detector. Ames/Salmonella test systems were used for the genotoxic potentials of the azadispiro derivatives Experimental and theoretical results were checked with paraffin and High-Density Polyethylene. The results showed that Azadispiro derivatives have neutron radiation absorption capability close to paraffin and High-Density Polyethylene. The gamma radiation absorption properties for azadispiro derivatives have been investigated, and it has been observed that these materials can absorb gamma radiation. Ames/Salmonella assay was used to examine whether the derivatives had a genotoxic effect probability or not. The results showed that these derivatives were genotoxic and safe at test doses (up to 5 mM). Consequently, it has been understood that these azadispiro derivatives can be used as active and genotoxic safety ingredients in the production of a protective drug against both neutrons and gamma rays. [ABSTRACT FROM AUTHOR]

The current study aimed to investigate the phenolic and flavonoid contents, cytotoxicity, genotoxicity, and mutagenicity of ethanolic and aqueous extracts of A. roseum (Camb.). The MTT assay was used to determine cytotoxicity, Comet assay was used to determine genotoxicity and mutagenicity of extracts was assessed through Ames test. The results showed that total phenolic contents were higher in aqueous extract (538.26 mg GAE/100 g); however, total flavonoid contents were significantly higher in ethanolic extract (6553.29 mg Eq. of Quercetin/100 g). The cells survival percentage was significantly (P <.05) decreased as concentrations of ethanolic extract increased. However, no significant toxicity was observed in groups treated with 0.031–0.25 mg/ml of ethanolic extract of A. roseum compared to negative control (P >.05). IC50 of ethanolic and aqueous extract of A. roseum was 5.54 mg/ml and 11.39 mg/ml, respectively. The results indicated that all concentration groups of ethanolic and aqueous extract of A. roseum significantly (P <.05) lowered DNA damage than positive control group. The lowest DNA damage was observed at 0.031 and 0.062 mg/ml in both aqueous and ethanolic extracts. Moreover, at higher concentrations of 4, 8, and 16 mg/ml of both ethanolic and aqueous extract observed 100% DNA damage cells (comet cells). Moreover, Ames mutagenicity showed that no significant (P >.05) changes were observed in revertant colonies of both bacterial strains (T 98; T 100) at 0.25, 0.5, and 1 mg/ml concentrations of both aqueous and ethanolic extract of A. roseum as MI index was less than 2. The research concluded that A. roseum extracts exhibited no cytotoxicity, genotoxicity, and mutagenicity at lower concentrations (≤2 mg/ml). [ABSTRACT FROM AUTHOR]

To facilitate the practical implementation of the guidance on the residue definition for dietary risk assessment, EFSA has organized an evaluation of applicability of existing in silico models for predicting the genotoxicity of pesticides and their metabolites, including literature survey, application of QSARs and development of Read Across methodologies. This paper summarizes the main results. For the Ames test, all (Q)SAR models generated statistically significant predictions, comparable with the experimental variability of the test. The reliability of the models for other assays/endpoints appears to be still far from optimality. Two new Read Across approaches were evaluated: Read Across was largely successful for predicting the Ames test results, but less for in vitro Chromosomal Aberrations. The worse results for non-Ames endpoints may be attributable to the several revisions of experimental protocols and evaluation criteria of results, that have made the databases qualitatively non-homogeneous and poorly suitable for modeling. Last, Parent/Metabolite structural differences (besides known Structural Alerts) that may, or may not cause changes in the Ames mutagenicity were identified and catalogued. The findings from this work are suitable for being integrated into Weight-of-Evidence and Tiered evaluation schemes. Areas needing further developments are pointed out. • There is increased interest for Structure-Activity approaches by regulatory bodies, particularly QSAR and Read Across. • EFSA organized an evaluation of in silico models for predicting the genotoxicity of pesticides and their metabolites. • The project includes literature survey, application of QSARs and development of Read Across methodologies. • The methods were assessed on a new, publicly available EFSA genotoxicity database of pesticides and metabolites. • This paper summarizes the main results of the study. [ABSTRACT FROM AUTHOR]

Aim: To establish a basis for rapid remediation of large areas contaminated with Bacillus anthracis spores. Methods and Results: Representative surfaces of wood, steel and cement were coated by nebulization with B. thuringiensis HD‐1 cry‐ (a simulant for B. anthracis) at 5.9 ± 0.2, 6.3 ± 0.2 and 5.8 ± 0.2 log10 CFU per cm2, respectively. These were sprayed with formaldehyde, either with or without pre‐germination. Low volume (equivalent to ≤2500 L ha−1) applications of formaldehyde at 30 g l−1 to steel or cement surfaces resulted in ≥4 or ≤2 log10 CFU per cm2 reductions respectively, after 2 h exposure. Pre‐germinating spores (500 mmol l−1l‐alanine and 25 mmol l−1 inosine, pH 7) followed by formaldehyde application showed higher levels of spore inactivation than formaldehyde alone with gains of up to 3.4 log10 CFU per cm2 for a given dose. No loss in B. thuringiensis cry‐ viability was measured after the 2 h germination period, however, a pre‐heat shock log10 reduction was seen for B. anthracis strains: LSU149 (1.7 log10), Vollum and LSU465 (both 0.9 log10), LSU442 (0.2 log10), Sterne (0.8 log10) and Ames (0.6 log10). Conclusions: A methodology was developed to produce representative spore contamination of surfaces along with a laboratory‐based technique to measure the efficacy of decontamination. Dose–response analysis was used to optimize decontamination. Pre‐germinating spores was found to increase effectiveness of decontamination but requires careful consideration of total volume used (germinant and decontaminant) by surface type. Significance and Impact of the Study: To be practically achievable, decontamination of a wide area contaminated with B. anthracis spores must be effective, timely and minimize the amount of materials required. This study uses systematic dose–response methodology to demonstrate that such an approach is feasible. [ABSTRACT FROM AUTHOR]

Brucella suis, one of the causative agents of brucellosis, is Gram-negative intracellular bacteria that may be found all over the globe and it is a significant facultative zoonotic pathogen found in livestock. It may adapt to a phagocytic environment, reproduce, and develop resistance to harmful environments inside host cells, which is a crucial part of the Brucella life cycle making it a worldwide menace. The molecular underpinnings of Brucella pathogenicity have been substantially elucidated due to comprehensive methods such as proteomics. Therefore, we aim to explore the complete Brucella suis proteome to prioritize the novel proteins as drug targets via subtractive proteo-genomics analysis, an effort to conjecture the existence of distinct pathways in the development of brucellosis. Consequently, 38 unique metabolic pathways having 503 proteins were observed while among these 503 proteins, the non-homologs (n = 421), essential (n = 350), drug-like (n = 114), virulence (n = 45), resistance (n = 42), and unique to pathogen proteins were retrieved from Brucella suis. The applied subsequent hierarchical shortlisting resulted in a protein, i.e., isocitrate lyase, that may act as potential drug target, which was finalized after the extensive literature survey. The interacting partners for these shortlisted drug targets were identified through the STRING database. Moreover, structure-based studies were also performed on isocitrate lyase to further analyze its function. For that purpose, ~18,000 ZINC compounds were screened to identify new potent drug candidates against isocitrate lyase for brucellosis. It resulted in the shortlisting of six compounds, i.e., ZINC95543764, ZINC02688148, ZINC20115475, ZINC04232055, ZINC04231816, and ZINC04259566 that potentially inhibit isocitrate lyase. However, the ADMET profiling showed that all compounds fulfill ADMET properties except for ZINC20115475 showing positive Ames activity; whereas, ZINC02688148, ZINC04259566, ZINC04232055, and ZINC04231816 showed hepatoxicity while all compounds were observed to have no skin sensitization. In light of these parameters, we recommend ZINC95543764 compound for further experimental studies. According to the present research, which uses subtractive genomics, proteins that might serve as therapeutic targets and potential lead options for eradicating brucellosis have been narrowed down. [ABSTRACT FROM AUTHOR]

This study has attempted to systematically investigate the influence of nanoclay and graphene oxide (GO) on thermal, mechanical, hydrophobic, and, most importantly, biological properties of poly(glycerol sebacate)/gelatin (PGS/gel) nanocomposites. The PGS/gel copolymer nanocomposites were successfully synthesized via in situ polymerization, approved by rudimentary characterization methods. The nanofillers were appropriately dispersed within the elastomeric matrix according to morphological studies. Also, the fillers posed as a hydrophobic entity that slightly decreased the hydrophilic properties of PGS/gel. This could be sensed clearly in hybrid composite due to the robust network of GO and clay. Water contact angle values for gelatin‐contained nanocomposites were reported in the range of 38.42° to 66.7°, indicating the hydrophilic nature of the prepared samples. Thermal and mechanical studies of nanocomposites displayed rather contradicting results as the former improved while a slight decrease in the latter was noticed compared to the pristine specimens. In dry conditions, their storage modulus was in the range of 0.94–6.4 MPa, making them suitable for mimicking some soft tissues. The swelling ratio for nanocomposites containing nanoparticles was associated with an ascending trend so that GO improved the swelling rate by up to 45%. Biological analyses, such as Ames and in vitro cell viability tests, exhibited promising outcomes. As for the mutagenesis effect, the PGS and hybrid samples showed negative results. The presence of functional groups on the nanofillers' surface positively influenced the cells' metabolic activity as well as its attachment to the matrix. After 7 days, the cell proliferation rate resulted in an 82% improvement for the GO‐containing nanocomposite, significantly higher than its neat counterpart (65%). This study has shown the feasibility of the prepared bio‐elastomer nanocomposites for diverse tissue engineering applications. [ABSTRACT FROM AUTHOR]

We had previously developed an improved Ames module to directly determine the mutagenicity of gaseous formaldehyde (HCHO) and toluene without liquid extraction. This study further evaluated the suitability and sensitivity of this module on whole and real polluted air samples. For this, two common brands of stick incense (A and B) and cigarettes (A and B) were harvested, and various types of incense smoke (IS) and sidestream cigarette smoke (SCS) samples were generated by lighting 3, 6, 12, 24, 30, or 36 incense sticks, and by lighting 1, 2, or 3 cigarettes, respectively, in an acrylic box. CO2, CO, total volatile organic compound (TVOC), PM1.0, and HCHO concentrations in the air samples were determined, and all air samples did not partially fit the requirements of the air quality standards. The smoke samples were then directly exposed to TA100 for 10, 20, 30, or 60 min in our exposure module. Exposure to IS (brand A) for 30 to 60 min and exposure to IS (brand B) for 60 min led to statistically (p < 0.05) weak (below the twofold rule) but dose‐dependent mutagenic activities either with or without metabolic activation. Furthermore, a short‐term exposure (10–60 min) to SCS (brands A and B) displayed statistically significant (p < 0.05) direct‐acting, indirect‐acting, time‐ and dose‐dependent mutagenic activities. Furthermore, our data also support that the liver S9 enzyme could enhance the mutagenic activities in most IS and SCS samples. This study confirmed that the modified Ames module can be applied to directly detect the mutagenic activities of real polluted air samples. [ABSTRACT FROM AUTHOR]

The identification of genomic regions associated with root traits and the genomic prediction of untested genotypes can increase the rate of genetic gain in maize breeding programs targeting roots traits. Here, we combined two maize association panels with different genetic backgrounds to identify single nucleotide polymorphisms (SNPs) associated with root traits, and used a genome-wide association study (GWAS) and to assess the potential of genomic prediction for these traits in maize. For this, we evaluated 377 lines from the Ames panel and 302 from the Backcrossed Germplasm Enhancement of Maize (BGEM) panel in a combined panel of 679 lines. The lines were genotyped with 232 460 SNPs, and four root traits were collected from 14-day-old seedlings. We identified 30 SNPs significantly associated with root traits in the combined panel, whereas only two and six SNPs were detected in the Ames and BGEM panels, respectively. Those 38 SNPs were in linkage disequilibrium with 35 candidate genes. In addition, we found higher prediction accuracy in the combined panel than in the Ames or BGEM panel. We conclude that combining association panels appears to be a useful strategy to identify candidate genes associated with root traits in maize and improve the efficiency of genomic prediction. [ABSTRACT FROM AUTHOR]

Pretomanid is a nitroimidazooxazine antimycobacterial drug that was approved as part of a three-drug oral regimen, consisting of bedaquiline, pretomanid, and linezolid, for 6-months treatment of adults with pulmonary extensively drug-resistant tuberculosis or with complicated forms of multidrug-resistant tuberculosis by the food and drug administration in the United States and regulatory bodies in over 10 other countries. Nitroaromatic compounds as a class carry a risk of genotoxicity and potential carcinogenicity based on reactive metabolite formation. A battery of good laboratory practice genotoxicity studies on pretomanid indicated that the compound was not genotoxic, however its hydroxy imidazole metabolite (M50) was genotoxic in the Ames assay. To assess the in vivo carcinogenic potential of pretomanid, hemizygous Tg.rasH2 mice were administered pretomanid once daily by oral gavage for 26 weeks. Male mice were given pretomanid in vehicle at doses of 0, 5, 15 and 40 mg/kg/day and female mice were given pretomanid in vehicle at doses of 0, 10, 30 and 80 mg/kg/day. Positive control mice of both sexes received intraperitoneal injections of urethane at 1000 mg/kg on Days 1, 3 and 5. There were no pretomanid-related early deaths, tumors, non-neoplastic microscopic findings, or gross necropsy findings at any dose level. The positive control gave the anticipated response of lung tumors. Oral administration of pretomanid to mice produced plasma exposure to the parent compound (high dose AUC of pretomanid 3 times the clinical AUC at the maximum recommended human dose) and exposure to the M50 metabolite (less than 10% of pretomanid) at all dose levels in both sexes. These data show that pretomanid was not carcinogenic in a transgenic mouse model at systemic exposures greater than human therapeutic exposures. [ABSTRACT FROM AUTHOR]

Siderophores are iron-chelating low-molecular-weight compounds that bind iron (Fe3+) with a high affinity for transport into the cell. The newly isolated strain Streptomyces tricolor HM10 secretes a pattern of secondary metabolites. Siderophore molecules are the representatives of such secondary metabolites. S. tricolor HM10 produces catechol, hydroxamate, and carboxylate types of siderophores. Under 20 μM FeCl3 conditions, S. tricolor HM10 produced up to 6.00 µg/mL of catechol siderophore equivalent of 2,3-DHBA (2,3-dihydroxybenzoic acid) after 4 days from incubation. In silico analysis of the S. tricolor HM10 genome revealed three proposed pathways for siderophore biosynthesis. The first pathway, consisting of five genes, predicted the production of catechol-type siderophore similar to petrobactin from Bacillus anthracis str. Ames. The second proposed pathway, consisting of eight genes, is expected to produce a hydroxamate-type siderophore similar to desferrioxamine B/E from Streptomyces sp. ID38640, S. griseus NBRC 13350, and/or S. coelicolor A3(2). The third pathway exhibited a pattern identical to the carboxylate xanthoferrin siderophore from Xanthomonas oryzae. Thus, Streptomyces strain HM10 could produce three different types of siderophore, which could be an incentive to use it as a new source for siderophore production in plant growth-promoting, environmental bioremediation, and drug delivery strategy. [ABSTRACT FROM AUTHOR]

Orchidaceae is one of the largest families of flowering plants with more than 27,000 accepted species, and more than 31,000–35,000 species are estimated to exist in total. The orchid Spiranthes sinensis (Pers.) Ames, having ornamental and medicinal value, is widely distributed throughout Asia and Oceania. S. sinensis (Shou Tsao) is also known as Panlongshen among the common folk herbs. It has a fleshy root similar to ginseng, and the entire plant is widely used in traditional Chinese medicine. Owing to overexploitation and habitat destruction in recent years, the wild population has become scarce. The traits of this species show obvious differences in different countries. In the Taiwanese climate, it flowers during the Ching Ming Festival, also called the ching ming tsao. Previous investigations into S. sinensis have revealed the presence of flavonoids, homocyclotirucallane, dihydrophenanthrenes, ferulic acid, and 3,4-dihydroxybenzaldehyde. Phenolic constituents of structural and biological interest, including phenanthrenes and flavonoids, have been isolated and identified from S. sinensis. This natural product possesses extensive bioactivity, including anti-tumor, anti-inflammatory, and antioxidant effects. In this review, we outline the herbal medicine formulations and plant-derived natural products of S. sinensis. [ABSTRACT FROM AUTHOR]

Negative binomial regression is commonly employed to analyze overdispersed count data. With small to moderate sample sizes, the maximum likelihood estimator of the dispersion parameter may be subject to a significant bias, that in turn affects inference on mean parameters. This article proposes inference for negative binomial regression based on adjustments of the score function aimed at mean or median bias reduction. The resulting estimating equations generalize those available for improved inference in generalized linear models and can be solved using a suitable extension of iterative weighted least squares. Simulation studies confirm the good properties of the new methods, which are also found to solve in many cases numerical problems of maximum likelihood estimation. The methods are illustrated and evaluated using two case studies: an Ames salmonella assay data set and data on epileptic seizures. Inference based on adjusted scores turns out to generally improve on maximum likelihood, and even on explicit bias correction, with median bias reduction being overall preferable. [ABSTRACT FROM AUTHOR]

We have previously determined the crystal structure of the metal complex [Cd(1,10‐phenanthroline)2(SO4)H2O]cyanoguanidine•5H2O that was characterized by spectroscopic measurements. The antibacterial activity was also determined by the agar diffusion test (zones of inhibition). In the present work, calculations based on density functional theory were performed to determine the contributions of the two different tautomers of cyanoguanidine to the vibrational IR and Raman experimental spectra. Moreover, the antimicrobial (antibacterial and antifungal) activity of the complex and cadmium ion was assessed and the minimum inhibitory concentration (MIC) was determined. The complexation increased the antimicrobial activity against Pseudomonas aeruginosaATCC 27853 and inhibited the biofilm production of this pathogen. Antimicrobial studies were coupled with the evaluation of safety, using the Artemia salinaand Ames test. At the concentrations tested, the cadmium complex behaved as a non‐mutagenic and non‐toxic compound. Therefore, the interaction of cadmium (II) with N and O‐containing ligands may provide a promising strategy for the development of novel and safe drugs with antimicrobial activity. [ABSTRACT FROM AUTHOR]

We prove the nonlinear stability of the asymptotic behaviour of perturbations of subfamilies of Kasner solutions in the contracting time direction within the class of polarized T2 -symmetric solutions of the vacuum Einstein equations with arbitrary cosmological constant Λ. This stability result generalizes the results proven in Ames E et al. (2022 Stability of AVTD Behavior within the Polarized T2 -symmetric vacuum spacetimes. Ann. Henri Poincaré. (doi:10.1007/s00023-021-01142-0)), which focus on the Λ=0 case, and as in that article, the proof relies on an areal time foliation and Fuchsian techniques. Even for Λ=0 , the results established here apply to a wider class of perturbations of Kasner solutions within the family of polarized T2 -symmetric vacuum solutions than those considered in Ames E et al. (2022 Stability of AVTD Behavior within the Polarized T2 -symmetric vacuum spacetimes. Ann. Henri Poincaré. (doi:10.1007/s00023-021-01142-0)) and Fournodavlos G et al. (2020 Stable Big Bang formation for Einstein's equations: the complete sub-critical regime. Preprint. (http://arxiv.org/abs/2012.05888)). Our results establish that the areal time coordinate takes all values in (0,T0] for some T0>0 , for certain families of polarized T2 -symmetric solutions with cosmological constant. This article is part of the theme issue 'The future of mathematical cosmology, Volume 1'. [ABSTRACT FROM AUTHOR]

Advanced oxidation processes (AOPs) have emerged as a promising approach for the removal of organic dyes from effluents. Different AOPs were employed for the degradation of Reactive Yellow 160A (RY-160A) dye, i.e., SnO2/UV/H2O2 and TiO2/UV/H2O2. In the case of UV treatment, maximum degradation of 28% was observed, while UV/H2O2 furnished 77.78% degradation, and UV/H2O2/TiO2 degraded the RY-160A dye up to 90.40% (RY-160A 30 mg/L, 0.8 mL of H2O2). The dye degradation was 82.66% in the case of UV/H2O2/SnO2 at pH 3. FTIR and LC-MS analyses were performed in order to monitor the degradation by-products. The cytotoxicity and mutagenicity of RY-160A dye were evaluated by hemolytic and Ames (TA98 and TA100 strains) assays. It was observed that the RY-160A dye solution was toxic before treatment, and toxicity was reduced significantly after treatment. Results indicated that UV/H2O2/TiO2 is more efficient at degrading RY-160A versus other AOPs, which have potential application for the remediation of dyes in textile effluents. [ABSTRACT FROM AUTHOR]

The study was undertaken during 2013-2017 at Zoonoses Research Laboratory, Tamil Nadu Veterinary and Animal Sciences University, Chennai. Blood smears, soil and environmental samples were collected from 23 sporadic incidences of anthrax reported in different parts of Tamil Nadu from 2013-2017. 11 incidences were presumptively diagnosed as anthrax by detecting capsulated bacilli on polychrome methylene blue staining and microscopy. The spores in soil samples (62) were extracted, cultured and DNA was extracted for molecular method of diagnosis. The molecular method detected twelve incidences as anthrax by amplifying the virulence factors like lef gene (385bp) and capsular gene (264bp) encoded in pXO1 and pXO2 plasmids respectively and chromosomal marker (Ba813) gene (152bp) using multiplex PCR. The partial sequence of cap gene of isolates (Vellore and Nolambur strain) revealed a close relationship with B. anthracis species. The relatedness of the isolated strains to virulent strains such as Ames and Vollum strain on phylogenetic analysis showed the nature of the outbreak. Since the multiplex PCR detects the outbreak with short turn-around time by detecting both chromosomal and Plasmid DNA, considered as a confirmative diagnosis. Further the molecular method of diagnosis precludes the need for culturing thereby avoiding unnecessary occupational risks and environmental contamination. [ABSTRACT FROM AUTHOR]

Recycling residual sludge in drinking water treatment plants (DWTPs) may release excessive heavy metals and organic matter, which are substances of concern because of their toxic and carcinogenic potential. The aim of this study was to investigate potential genotoxic, cytotoxic, and mutagenic effects of recycled residual sludge in terms of quality of water in potable water works. Genotoxic effects of reusing residual sludge were evaluated using: the Ames test, sperm abnormality test in mice, micronucleus assay, comet assay, and single-cell gel electrophoresis assay. The results of the Ames assay show that the disinfected water sample displays bacteriostasis at a dose of 7 L/dish regardless of treatment styles, but mutagenicity ratio (MR) < 2 can still be judged as negative. The micronucleus rates of conventional treatment were slightly genotoxic but only at 4 and 40 L/kg·bw, whereas micronucleus rates of filtered water and disinfectant from the recycling process were negative in all of the dose groups. The levels of DNA damage that are caused by different treatment processes were equivalent. Reusing residual sludge for DWTPs did not contribute to the release of genotoxic or mutagenic compounds, but it did have a remarkable effect on saving the drug dose and increasing drinking water yield. Thus, reusing residual sludge for DWTPs should be widely recommended. [ABSTRACT FROM AUTHOR]

Water availability and other site conditions influence poplar biomass productivity and affect clonal performance due to genotype × environment interactions. It is important to select genotypes with high water use efficiency (WUE) that maximizes yield with available amounts of water at sites, while avoiding drought stress and growth impacts to the trees. During drought, stomatal closure induces increased accumulation of δ13C carbon isotope in tree tissues, which is strongly correlated with WUE of trees and usually expressed through carbon isotope discrimination (Δ). Our primary objectives were to evaluate differences in WUE among poplar genotypes grown in the Midwestern United States, and to identify genotypes with high WUE for future deployment on water‐limited sites in the region. Sites included 10‐year‐old biomass plantations in Escanaba, Michigan; Waseca, Minnesota; and Ames, Iowa established from 2000 to 2001 with seven poplar genotypes' three genomic groups. Following harvest, height, diameter, and biomass were determined. Wood samples were collected from individual growth rings to assess annual ring width and WUE through δ13C and Δ. Aboveground dry biomass varied among sites (p =.0007), clones (p <.0001), and their interactions (p =.0134), ranging from 3.1 to 14.0 Mg ha−1 year−1. Δ varied among sites (Δ = 18.9–19.7‰; p <.0001) and clones (Δ = 18.6–19.9‰; p <.0001), indicating effects of site conditions on WUE of tested genotypes. Clones varied in their water‐conserving strategies. Some clones were characterized as water consumers with high growth and high WUE ("C916000"; "C916400"), while other genotypes were water conservers using lower amounts of water with moderate biomass production ("NC13624"; "NC13649"; "NM2" to a certain extent). Although δ13C carbon isotope accumulation correlates with WUE, Δ should only be used for selection when it is integrated with other parameters such as productivity, soils information, and climate data. [ABSTRACT FROM AUTHOR]

Breast cancer is the most common cancer among women worldwide. Breast cancer is caused by the overexpression of genes that facilitate breast cell proliferation. Estrogen receptor alpha (ER α) mediation is mostly responsible for the development of malignant tumors by regulating the transcription of various genes as a transcription factor. ER α is regarded as an important receptor for the proliferation of this disease and its inhibition is necessary for the treatment of breast cancer. In our study, the aim is to find out potential inhibitors for ER α by docking 100 anticancer constituents of different halogen-based derivatives against ER α. Among the 100 X -based derivatives, 20 ligands were selected based on the interaction energy ranging from − 6.7 kcal/mol to − 8.2 kcal/mol and lower values of inhibition constant (0.92–11.77 μ mol). We have performed a comprehensive analysis of five most popular ligands (L17, L57, L61, L67, and L70) among these 20 selected derivatives. The interaction analysis is mainly stabilized by making different interactions including hydrogen bonding, hydrophobic, electrostatic, and halogen bonding with the active site of ER α. A quantum study based on frontier molecular orbitals (FMOs), molecular electrostatic potential (MEP), and global chemical reactivity descriptor (GCRD) is carried out to explore the structural chemistry of our most popular ligands which indicates that they are quite reactive and kinetically stable. Additionally, we also assess the ADMET profiles to predict the toxicity and drug-likeness of our lead compounds. Our selected ligands have the highest absorption and good clearance rate and have no AMES toxicity, skin sensitization, and hepatotoxicity. Molecular dynamics simulations were run to check the conformational stability of apo form of ER α and complex state, at 60-ns time scale. The molecular dynamics simulations are based on the plots of RMSD, RMSF, R g , SASA, and the number of H-bonds. The results of RMSD and RMSF showed that the lead compounds L17, L57, L61, L67, and L70 are most stable and have no significant residual fluctuations and deviation. The analysis of the plots of R g , SASA, and the number of H-bonds revealed that the complexes L17, L57, and L70 are most stable. So, the lead anticancer compounds L17, L57, L61, L67, and L70 are the most promising inhibitors against ER α of breast cancer. The comprehensive analysis of all studied parameters highlighted that our selected ligands have great potential to inhibit ER α. So, it can be concluded that the selected halogen-based derivatives can promote rational drug design for the target therapies of ER α of breast cancer. We employed triple hybrid techniques (molecular docking, dynamics and quantum chemical) to screen 100 halogen-based derivatives for potential therapeutic candidates against ER α of breast cancer. [ABSTRACT FROM AUTHOR]

Current solid-contact ion-selective electrodes (ISEs) suffer from signal-to-noise drift and short lifespans partly due to water uptake and the development of an aqueous layer between the transducer and ion-selective membrane. To address these challenges, we report on a nitrate ISE based on hydrophobic laser-induced graphene (LIG) coated with a poly(vinyl) chloride–based nitrate selective membrane. The hydrophobic LIG was created using a polyimide substrate and a double lasing process under ambient conditions (air at 23.0 ± 1.0 °C) that resulted in a static water contact angle of 135.5 ± 0.7° (mean ± standard deviation) in wettability testing. The LIG–ISE displayed a Nernstian response of − 58.17 ± 4.21 mV dec−1 and a limit-of-detection (LOD) of 6.01 ± 1.44 µM. Constant current chronopotentiometry and a water layer test were used to evaluate the potential (emf) signal stability with similar performance to previously published work with graphene-based ISEs. Using a portable potentiostat, the sensor displayed comparable (p > 0.05) results to a US Environmental Protection Agency (EPA)–accepted analytical method when analyzing water samples collected from two lakes in Ames, IA. The sensors were stored in surface water samples for 5 weeks and displayed nonsignificant difference in performance (LOD and sensitivity). These results, combined with a rapid and low-cost fabrication technique, make the development of hydrophobic LIG–ISEs appealing for a wide range of long-term in situ surface water quality applications. [ABSTRACT FROM AUTHOR]

We believe that an Ames window, even in a frontoparallel plane, appears to slant in depth, not because we are used to a carpentered environment but because the tapered verticals of the trapezoidal window generate an extremely clear size gradient, which in line with Gibson's prediction looks like a slanted surface. Ames ([1]) showed that a stick thrust at right angles through the original planar Ames window will be correctly seen as rotating and paradoxically appears to "melt through" the oscillating window. However, in the illusory Ames window (Ames, [1]; Ittleson, [3]), the window is distorted into a trapezoid, with one vertical side that is two or three times the length of the opposite side. We compare these to the well-known spinning ballerina (Kayahara, [4]) and the Ames window (Ames, [1]; Ittleson, [3]). [Extracted from the article]

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Introduction: Recently, the Food and Drug Administration authorized the marketing of IQOS Tobacco Heating System as a Modified Risk Tobacco Product based on an electronic heat-not-burn technology that purports to reduce the risk.Methods: Sprague-Dawley rats were exposed in a whole-body mode to IQOS aerosol for 4 weeks. We performed the chemical characterization of IQOS mainstream and we studied the ultrastructural changes in trachea and lung parenchyma of rats exposed to IQOS stick mainstream and tissue pro-inflammatory markers. We investigated the reactive oxygen species amount along with the markers of tissue and DNA oxidative damage. Moreover, we tested the putative genotoxicity of IQOS mainstream through Ames and alkaline Comet mutagenicity assays.Results: Here, we identified irritating and carcinogenic compounds including aldehydes and polycyclic aromatic hydrocarbons in the IQOS mainstream as sign of incomplete combustion and degradation of tobacco, that lead to severe remodelling of smaller and largest rat airways. We demonstrated that IQOS mainstream induces lung enzymes that activate carcinogens, increases tissue reactive radical concentration; promotes oxidative DNA breaks and gene level DNA damage; and stimulates mitogen activated protein kinase pathway which is involved in the conventional tobacco smoke-induced cancer progression.Conclusions: Collectively, our findings reveal that IQOS causes grave lung damage and promotes factors that increase cancer risk.Implications: IQOS has been proposed as a safer alternative to conventional cigarettes, due to depressed concentration of various harmful constituents typical of traditional tobacco smoke. However, its lower health risks to consumers have yet to be determined. Our findings confirm that IQOS mainstream contains pyrolysis and thermogenic degradation by-products, the same harmful constituents of traditional cigarette smoke, and, for the first time, we show that it causes grave lung damage and promotes factors that increase cancer risk in the animal model. [ABSTRACT FROM AUTHOR]

Some potential drug active substances with the ability to reduce the effects of radiation on human tissues and cells were investigated. For this purpose, eight different types of sulfamide derivatives were synthesized and nuclear radiation protection parameters were determined. Neutron radiation reduction parameters such as the half-value layer effective removal cross-sections, mean free path, and the number of particles passing through the sample were determined with GEANT4 code. Additionally, the gamma radiation attenuation parameters of the materials examined were determined using Phy-X/PSD software in the energy area of 0.015–15 MeV. These parameters are the half-value layer, mass attenuation coefficient, mean free path, exposure buildup factor and effective atomic number. Neutron radiation absorption experiments were applied using an 241Am-Be fast neutron source. All results obtained for neutron radiation were compared with paraffin and water. It has been found that the ability of sulfamide derivatives to absorb these radiations is superior to reference materials. To determine whether these derivatives could have adverse effects on human health, their genotoxic potential was determined using the Ames/Salmonella bacterial reversion test. The results showed that these derivatives can be considered genotoxically safe in tests at concentrations up to 5 mM. Thus, it is suggested that the derivative materials examined in this study can be used as active substances for a drug to be made for protection against both neutron and gamma radiation. [ABSTRACT FROM AUTHOR]

The screening of aqueous extract of Clerodendrum serratum revealed its broad-spectrum antimicrobial potential against Gram positive, Gram negative bacteria, and yeast. Optimizing the extraction strategies, revealed 15% concentration of aqueous extract prepared at 40 °C by extracting for 40 min, as optimum parameters and its statistical optimization by Box–Behnken design led to 1.16–1.35 folds enhancement in activity. Organic solvent extraction further improved the activity where methanol proved to be the best organic extractant which was effective against all the 13 pathogens tested with inhibition zone ranging from 14 to 32 mm. Minimum Inhibitory Concentration (MIC) study endorsed the methanolic extract to be the best organic extractant, as it showed the lowest MIC (0.5–10 mg/ml) in comparison to aqueous extract (1–10 mg/ml) as well as Partially Purified Phytoconstituents i.e., flavonoids (1–5 mg/ml), diterpenes (5–10 mg/ml) and cardiac glycosides (5–10 mg/ml). All these were found to be biosafe in both In-vitro (Ames and MTT assay) and In-vivo toxicity studies. Acute oral toxicity testing of flavonoids (2000 mg/ml) on Wistar rats did not reveal any significant change in relative organ weight, biochemical, hematological parameters and organs' architecture in comparison to control. Antiproliferative potential of flavonoids against human cancerous cell lines i.e., HeLa, HCT-15, and U87-MG, further increase the importance of this plant as a promising candidate for drug development. The overall study justified the medicinal importance of this plant. [ABSTRACT FROM AUTHOR]

The aim of this paper was to provide a comprehensive toxicological and safety evaluation of a yeast cell wall preparation (YCWP) for use as an animal feed ingredient. The following toxicological assessments were carried out: the mutagenic activity was tested using the Ames' Test in five Salmonella typhimurium strains; clastogenic activity was investigated using the mammalian micronucleus test in Swiss ICO OF1 (IOPS Caw) mice; genotoxic activity was assessed using the in vitro mammalian chromosomal aberration test in human lymphocytes; acute oral toxicity was tested by administration of a single dose of 2000 mg/kg BW. Eye and skin irritation were assessed in rabbits according to OECD guidelines; skin sensitivity was established in guinea pigs by means of the Buehler test, while acute dermal and inhalation studies in rats were further completed, also according to OECD guidelines. All conducted tests were considered valid under the experimental conditions. No significant mutagenic activity or genotoxic activity was observed, and it was concluded that the test article did not induce any clastogenic effect. YCWP was found to be mildly irritating to the eye, slightly irritating to the skin but was found to be non-sensitizing in the guinea pig. The acute oral, dermal and inhalation studies did not yield any evidence of gross toxicity or pharmacological effects. • Ames' test showed no mutagenic activity. • Micronucleus test detected no clastogenic activity. • Metaphase analysis demonstrated no genotoxicity. • No adverse effects observed in acute oral, dermal and inhalation studies. • Found to be mildly irritating to the eye, slightly irritating to skin but non-skin-sensitizing. [ABSTRACT FROM AUTHOR]