bluuebunny/crossref_metadata_2025_split huggingface dataset:
Polar and nonpolar iron (II) complexes of isatin hydrazone derivatives as effective catalysts in oxidation reactions and their antimicrobial and anticancer activities
Authors: El‐Sayed Nehal Mamdouh A. , Elsawy Hany , Adam Mohamed Shaker S. 
Published: March 2022

Two iron (II) complexes of various derivatives (polar with 5‐sodium sulfoante group and nonpolar with di‐tertbutyl groups, HLSO3Na and HLDBu, respectively) of isatin hydrazones were synthesized within 1:2 molar ratios of Fe2+ion to the isatin hydrazone ligand giving Fe (LSO3Na)2and Fe (LDBu)2, respectively. The polar and nonpolar isatin hydrazone derivatives behaved asO,N,O‐tridentate pincer chelating agents with Fe2+ions. The variation in polarity of the two Fe2+‐complexes controlled their catalytic action in the oxidation of alcohols usingtBuOOH (tert‐butyl hydroperoxide). The polar catalyst showed more enhanced catalytic behavior than that of the nonpolar one. The optimized conditions for Fe (LDBu)2was found to be better at 70°C after 4 h with 86% of benzaldehyde than that with Fe (LSO3Na)2(at 90°C after 2 h with 84% of benzaldehyde). Their kinetic studies were used to derive the thermodynamic parameters ofEaand ΔG#for the catalytic processes.Biologically, based on their high reactivity toward some bacterial and fungal strains and some human cancer cell lines, the calf thymus‐DNA (ctDNA) interaction of the current compounds were studied. The nonpolar Fe2+‐complex (Fe (LDBu)2) assigned more reactivity withctDNA more than that of the polar reagent (Fe (LSO3Na)2) and also more than that of their uncoordinated ligands depending on their lipophilicity. Their reactivities towardctDNA was established spectrophotometrically and within the changes in the DNA solution viscosity. The binding strength was evaluated with the magnitudes of the binding constant (Kb = 3.03, 3.21, 9.79, and 11.51 × 108 mol−1 dm3for HLDBu, HLSO3Na, Fe (LDBu)2, and Fe (LSO3Na)2, respectively), which supported by the Gibbs' free energy values −3.12, −31.42, −34.18, and −34.58 kJ mol−1, respectively.
Preparation and characterization of TiO2‐coated polymerization of methyl methacrylate (PMMA) for biomedical applications: In vitro study
Authors: Amirabad Leila Mohammadi , Tahriri Mohammadreza , Zarrintaj Payam , Ghaffari Reza , Tayebi Lobat 
Published: March 2022

AbstractLow surface energy and hydrophobicity of polymethyl methactylate (PMMA) are the main disadvantages of this biomaterial. The aim of this study was to investigate the effects of a new coating process on the surface characteristics and properties of PMMA. A combination of temperature and pressure was used for deposition of titanium dioxide (TiO2) on the surface of PMMA. The PMMA coated with TiO2 thin films and prepared by sputtering and noncoated PMMA were considered as control groups. The surface wettability, functional group, and roughness were determined by contact angle measurement, Fourier transform infrared spectroscopy (FTIR), and 3D laser scanning digital microscopy, respectively. The flexural strength of coated and noncoated samples was measured using three‐point bending test. The cell proliferation, attachment, and viability were determined using 3‐(4,5‐dimethyldiazol‐2‐yl)‐2,5‐diphenyl tetrazolium bromide, live and dead assay, scanning electron microscope (SEM), and DAPI (4′,6‐diamidino‐2‐phenylindole) staining. The antifungal activity of TiO2 was also determined by examining the biofilm attachment of Candida albicans. The obtained results showed that TiO2 was successfully coated on PMMA. The contact angle measurement shows a significant increase of hydrophilicity in TiO2‐coated PMMA. FTIR and roughness analysis revealed no loss of TiO2 from coated specimens following sonication. The cell viability after 7 days culturing on TiO2‐coated specimens was more than the cell viability on the control groups. SEM images and DAPI staining showed that the total number of the cells increased after 7 days of seeding on TiO2‐coated group, whereas it decreased gradually in both control groups. C. albicans attachment also decreased by 63% to 77% on the coated PMMA surface. Overall, this research suggested a new way for developing surface energy of PMMAs for biomedical applications.
Locating the work of artificial intelligence ethics
Authors: Slota Stephen C. , Fleischmann Kenneth R. , Greenberg Sherri , Verma Nitin , Cummings Brenna , Li Lan , Shenefiel Chris 
Published: March 2022

AbstractThe scale and complexity of the data and algorithms used in artificial intelligence (AI)‐based systems present significant challenges for anticipating their ethical, legal, and policy implications. Given these challenges, who does the work of AI ethics, and how do they do it? This study reports findings from interviews with 26 stakeholders in AI research, law, and policy. The primary themes are that the work of AI ethics is structured by personal values and professional commitments, and that it involves situated meaning‐making through data and algorithms. Given the stakes involved, it is not enough to simply satisfy that AI will not behave unethically; rather, the work of AI ethics needs to be incentivized.
Biocompatible phospholipid‐based nanovesicular drug delivery system of ketoprofen: Systematic development, optimization, and preclinical evaluation
Authors: Bimbrawh Senha , Chopra Shruti , Ansari Mohammad Javed , Alrobaian Majed , Almalki Waleed H , Alharbi Khalid S , Alenezi Sattam K , Kaur Ripandeep , Beg Sarwar , Bhatia Amit 
Published: March 2022

AbstractThe present work involved development of phospholipid‐based permeation enhancing nanovesicles (PENVs) for topical delivery of ketoprofen. Screening of phospholipids and process parameters was performed. Central composite design was used for optimization of factors, that is, amount (%, w/w) of phospholipid and ethanol at three levels. The optimized nanovesicles (NVs) were loaded with different terpenes and then incorporated into a gel base. Optimized NVs exhibited 69% entrapment efficiency, 51% transmittance, 328 nm mean vesicle size, and polydispersity index of 0.25. In vitro release kinetics evaluation indicated best fitting as per Korsemeyer–Peppa's model and drug release via Fickian‐diffusion mechanism. The optimized NVs loaded with mint terpene showed minimal degree of deformability and maximal elasticity as compared with the conventional NVs and liposomes. Rheology and texture analysis indicated pseudoplastic flow and smooth texture of the vesicle gel formulation. Ex vivo permeation studies across Wistar rat skin indicated low penetration (0.43‐fold decrease) and high skin retention (4.26‐fold increase) of ketoprofen from the optimized PENVs gel vis‐à‐vis the conventional gel. Skin irritancy study indicated lower scores for PENVs gel construing its biocompatible nature. Stability studies confirmed cold storage is best suitable for vesicle gel, and optimized PENVs were found to be suitable for topical delivery of ketoprofen.
Reconstruction and analysis of genome‐scale metabolic model for thermophilic fungus Myceliophthora thermophila
Authors: Liu Defei , Xu Zixiang , Li Jingen , Liu Qian , Yuan Qianqian , Guo Yanmei , Ma Hongwu , Tian Chaoguang 
Published: March 2022

AbstractMyceliophthora thermophila, a thermophilic fungus that can degrade and utilize all major polysaccharides in plant biomass, has great potential in biotechnological industries. Here, the first manually curated genome‐scale metabolic model iDL1450 for M. thermophila was reconstructed using an autogenerating pipeline with thorough manual curation. The model contains 1450 genes, 2592 reactions, and 1784 unique metabolites. High accuracy was shown in predictions related to carbon and nitrogen source utilization based on data obtained from Biolog experiments. Besides, metabolism profiles were analyzed using iDL1450 integrated with transcriptomics data of M. thermophila at various growth temperatures. The refined model provides new insights into thermophilic fungi metabolism and sheds light on model‐driven strain design to improve biotechnological applications of this thermophilic lignocellulosic fungus.
The Varied Frustrated Lewis Pair Reactivity of the Germylene Phosphaketene (CH{(CMe)(2,6‐iPr2C6H3N)}2)GePCO
Authors: Wu Yile , Zhao Zhao , Chen Ting , Tan Jingjie , Qu Zheng‐Wang , Grimme Stefan , Zhao Yufen , Stephan Douglas W. 
Published: March 2022

AbstractThe germylene species (CH{(CMe)(2,6‐iPr2C6H3N)}2)GePCO 1 is shown to react with the Lewis acids (E(C6F5)3 E=B, Al). Nonetheless, 1 participates in FLP chemistry with electron deficient alkynes or olefins, acting as an intramolecular FLP. In contrast, in the presence of B(C6F5)3 and an electron rich alkyne, 1 behaves as Ge‐based nucleophile to effect intermolecular FLP addition to the alkyne. This reactivity demonstrates that the reaction pathway is controlled by the nature of the electrophile and nucleophile generated in solution, as revealed by extensive DFT calculations.
Slow‐varying batch process monitoring based on canonical variate analysis
Authors: Zhang Shumei , Bao Xiaoli 
Published: March 2022

AbstractMost industrial batch processes display normal slow changes over batches because of the influence of external factors. The question of how to take this slow‐varying behaviour into account during dynamic process monitoring remains a challenge for researchers. To address the above issue, a slow‐varying batch process monitoring method is proposed for multiphase batch processes. It makes subtraction between two different batches with a certain interval for pre‐treating the original data and subsequently utilizes a canonical variate analysis (CVA) algorithm with kernel density estimation (KDE) for fault detection. For each subphase, the proposed method can extract a variable‐wise dynamic characteristic with the time evolution for every single batch and capture statistical features of slow variations along batch direction simultaneously. It is less sensitive to normal gradual changes with a low false‐positive rate. The performance of the proposed method for batch process monitoring was tested on a numerical simulation system and penicillin fermentation production process with comparison to multiphase CVA, multiphase slow feature analysis (SFA), multiphase principal component analysis (PCA), and traditional CVA without phase division. The achieved results clearly demonstrate the effectiveness of the proposed method, which is a remarkable and promising tool for modelling and monitoring batch processes with regular slow‐varying characteristics.
Fabrication of Human Skin Equivalents Using Decellularized Extracellular Matrix
Authors: Sarmin Atiya M. , Connelly John T. 
Published: March 2022

AbstractThere is a growing demand for in vitro models of human tissues that recapitulate the complex structures and functions found in vivo, and the biomaterials that support these physiologically relevant models are essential underpinning technologies. Here, we present an optimized protocol for generating human skin equivalents (HSEs) using a dermal matrix isolated from decellularized porcine skin. The decellularized extracellular matrix (dECM) contains a complex mixture of fibrillar collagens and matrisomal proteins that mimic native skin and can be produced in large quantities. The procedure for decellularization, digestion, and solubilization of the dECM is described in detail. In addition, we provide instructions for how to construct a three‐dimensional HSE model using the dECM as the dermal support matrix for human keratinocytes and dermal fibroblasts. Recent studies from our laboratory have shown that HSEs generated using porcine dECM display improved epidermal differentiation and stratification compared to existing protocols using type I collagen gels. Thus, dECM‐based biomaterials are a useful tool for replicating human skin physiology in vitro and developing advanced human skin models for therapeutic discovery and testing. © 2022 The Authors. Current Protocols published by Wiley Periodicals LLC.Basic Protocol 1: Preparation of decellularized extracellular matrix from porcine skinBasic Protocol 2: Generation of human skin equivalents
Dentin contamination during repair procedures: A threat to universal adhesives?
Authors: Lührs Anne‐Katrin , Brachmann Cosima , Jacker‐Guhr Silke 
Published: March 2022

AbstractObjectiveThis study examined the influence of surface contamination during repair procedures with hydrofluoric acid, silane, or ammonium polyfluoride on the bond strength of universal adhesives to dentin using different etching modes before and after thermocycling.Materials and MethodsDentin surfaces of human molars were contaminated in different ways (silane, hydrofluoric acid, ammonium polyfluoride, and no pretreatment as control) followed by application of a universal adhesive (etch & rinse or self‐etch mode). After a composite build‐up was placed onto each tooth, sticks for the microtensile bond strength (MTBS) test were sectioned. Half of the sticks were tested after water storage for 24 h, the other half after thermocycling (15,000 cycles, 5/55°C). The MTBS data were analyzed statistically by using the Kolmogorov–Smirnov test, one‐way analysis of variance, and Tukey HSD test (p < 0.05). The fracture patterns of all specimens were evaluated and analyzed using a χ2 test.ResultsDentin contamination with a multifunctional silane does not influence microtensile bond strength irrespective of aging. Contamination with hydrofluoric acid or an ammonium polyfluoride primer leads to a significantly lower bond strength after aging, irrespective of the etch mode.ConclusionDentin contamination with hydrofluoric acid or ammonium polyfluorides during repair procedures should be avoided, as they appear to decrease the bond strength of universal adhesives.
Mixed interactions among life history stages of two harvested related species
Authors: Bellier Edwige 
Published: March 2022

AbstractClimate change and harvesting can affect the ecosystems' functioning by altering the population dynamics and interactions among species. Knowing how species interact is essential for better understanding potentially unintended consequences of harvest on multiple species in ecosystems. I analyzed how stage‐specific interactions between two harvested competitors, the haddock (Melanogrammus aeglefinus) and Atlantic cod (Gadus morhua), living in the Barents Sea affect the outcome of changes in the harvest of the two species. Using state‐space models that account for observation errors and stochasticity in the population dynamics, I run different harvesting scenarios and track population‐level responses of both species. The increasing temperature elevated the number of larvae of haddock but did not significantly influence the older age‐classes. The nature of the interactions between both species shifted from predator‐prey to competition around age‐2 to ‐3. Increased cod fishing mortality, which led to decreasing abundance of cod, was associated with an increasing overall abundance of haddock, which suggests compensatory dynamics of both species. From a stage‐specific approach, I show that a change in the abundance in one species may propagate to other species, threatening the exploited species' recovery. Thus, this study demonstrates that considering interactions among life history stages of harvested species is essential to enhance species' co‐existence in harvested ecosystems. The approach developed in this study steps forward the analyses of effects of harvest and climate in multi‐species systems by considering the comprehension of complex ecological processes to facilitate the sustainable use of natural resources.
Bee Tracker—an open‐source machine learning‐based video analysis software for the assessment of nesting and foraging performance of cavity‐nesting solitary bees
Authors: Knauer Anina C. , Gallmann Johannes , Albrecht Matthias 
Published: March 2022

AbstractThe foraging and nesting performance of bees can provide important information on bee health and is of interest for risk and impact assessment of environmental stressors. While radiofrequency identification (RFID) technology is an efficient tool increasingly used for the collection of behavioral data in social bee species such as honeybees, behavioral studies on solitary bees still largely depend on direct observations, which is very time‐consuming. Here, we present a novel automated methodological approach of individually and simultaneously tracking and analyzing foraging and nesting behavior of numerous cavity‐nesting solitary bees. The approach consists of monitoring nesting units by video recording and automated analysis of videos by machine learning‐based software. This Bee Tracker software consists of four trained deep learning networks to detect bees that enter or leave their nest and to recognize individual IDs on the bees’ thorax and the IDs of their nests according to their positions in the nesting unit. The software is able to identify each nest of each individual nesting bee, which permits to measure individual‐based measures of reproductive success. Moreover, the software quantifies the number of cavities a female enters until it finds its nest as a proxy of nest recognition, and it provides information on the number and duration of foraging trips. By training the software on 8 videos recording 24 nesting females per video, the software achieved a precision of 96% correct measurements of these parameters. The software could be adapted to various experimental setups by training it according to a set of videos. The presented method allows to efficiently collect large amounts of data on cavity‐nesting solitary bee species and represents a promising new tool for the monitoring and assessment of behavior and reproductive success under laboratory, semi‐field, and field conditions.
Trust your guts? The effect of gut section on diet composition and impact of Mus musculus on islands using metabarcoding
Authors: Pinho Catarina J. , Lopes Evandro P. , Paupério Joana , Gomes Isildo , Romeiras Maria M. , Vasconcelos Raquel 
Published: March 2022

Abstract

DNA metabarcoding is widely used to characterize the diet of species, and it becomes very relevant for biodiversity conservation, allowing the understanding of trophic chains and the impact of invasive species. The need for cost‐effective biodiversity monitoring methods fostered advances in this technique. One question that arises is which sample type provides a better diet representation.

Therefore, with this study, we intended to evaluate if there were differences in diet estimates according to the section of the gastrointestinal tract analysed and which section(s) provided the best diet representation. Additionally, we intended to infer the ecological/economic impacts of an invader as a model of the potential effects in an originally mammal‐free ecosystem.

We examined the gut contents of the house mouse Mus musculus introduced to Cabo Verde, considering three sections: stomach, small intestine, and large intestine. We applied a DNA‐metabarcoding approach using two genetic markers, one specific for plants and another for invertebrates.

We showed that this invader consumed 131 taxa (73 plants and 58 invertebrates). We obtained significant differences in the composition of two of the three sections, with a higher incidence of invertebrates in the stomach and plants in the intestines. This may be due to stomach inhibitors acting on plants and/or to faster absorption of soft‐body invertebrates compared to the plant fibers in the intestines. We verified that the impact of this invader in the ecosystem is predominantly negative, as at least 50% of the ingested items were native, endemic, or economically important taxa, and only 19% of the diet items were exotics.

Overall, results showed the need to analyse only two gastrointestinal tract sections to obtain robust diet data, increasing the cost‐effectiveness of the method. Furthermore, by uncovering the native taxa most frequently preyed on by mice, this DNA‐metabarcoding approach allowed us to evaluate efficiently which are at the highest risk.
Effects of disturbances on aboveground biomass of alpine meadow in the Yellow River Source Zone, Western China
Authors: Shi Yan , Gao Jay , Li Xilai , Li Jiexia , Brierley Gary 
Published: March 2022

AbstractA field experiment quantifies the impacts of two external disturbances (mowing‐simulated grazing and number of pika) on aboveground biomass (AGB) in the Yellow River Source Zone from 2018 to 2020. AGB was estimated from drone images for 27 plots subject to three levels of each disturbance (none, moderate, and severe). The three mowing severities bear a close relationship with AGB and its annual change. The effects of pika disturbance on AGB change were overwhelmed by the significantly different AGB at different mowing severities (−.471 < r < −.368), but can still be identified by inspecting each mowing intensity (−.884 < r < −.626). The impact of severe mowing on AGB loss was more profound than that of severe pika disturbance in heavily disturbed plots, and the joint effects of both severe disturbances had the most impacts on AGB loss. However, pika disturbance made little difference to AGB change in the moderate and non‐mowed plots. Mowing intensity weakens the relationship between pika population and AGB change, but pika disturbance hardly affects the relationship between mowing severity and AGB change. The effects of both disturbances on AGB were further complexified by the change in monthly mean temperature. Results indicate that reducing mowing intensity is more effective than controlling pika population in efforts to achieve sustainable grazing of heavily disturbed grassland.
Untangling the oxidative cost of reproduction: An analysis in wild banded mongooses
Authors: Meniri Magali , Evans Elsa , Thompson Faye J. , Marshall Harry H. , Nichols Hazel J. , Lewis Gina , Holt Lauren , Davey Emma , Mitchell Christopher , Johnstone Rufus A. , Cant Michael A. , Blount Jonathan D. 
Published: March 2022

AbstractThe cost of reproduction plays a central role in evolutionary theory, but the identity of the underlying mechanisms remains a puzzle. Oxidative stress has been hypothesized to be a proximate mechanism that may explain the cost of reproduction. We examine three pathways by which oxidative stress could shape reproduction. The “oxidative cost” hypothesis proposes that reproductive effort generates oxidative stress, while the “oxidative constraint” and “oxidative shielding” hypotheses suggest that mothers mitigate such costs through reducing reproductive effort or by pre‐emptively decreasing damage levels, respectively. We tested these three mechanisms using data from a long‐term food provisioning experiment on wild female banded mongooses (Mungos mungo). Our results show that maternal supplementation did not influence oxidative stress levels, or the production and survival of offspring. However, we found that two of the oxidative mechanisms co‐occur during reproduction. There was evidence of an oxidative challenge associated with reproduction that mothers attempted to mitigate by reducing damage levels during breeding. This mitigation is likely to be of crucial importance, as long‐term offspring survival was impacted by maternal oxidative stress. This study demonstrates the value of longitudinal studies of wild animals in order to highlight the interconnected oxidative mechanisms that shape the cost of reproduction.