bluuebunny/crossref_metadata_2025_split huggingface dataset:
Ultrafast Excited State Relaxation Dynamics of New Fuchsine‐ a Triphenylmethane Derivative Dye
Authors: Biswas Chinmoy , Rao Soma Venugopal , Chetti Prabhakar , Santosh Kumar Raavi Sai 
Published: September 2021

AbstractAn all‐inclusive investigation of the ultrafast excited state relaxation dynamics of a triphenylmethane derivative molecule, New Fuchsine (NF), using a combined approach of density functional theory (DFT), femtosecond transient absorption spectroscopy (fs‐TAS), and photoluminescence spectroscopy is presented in this work. The DFT calculations confirmed the formation of twisted molecular structure in the excited state of NF in ethanol solution with bond rotation of ≈86°. TAS measurements of NF solution exhibited ultrafast ground state‐recovery pathway via a conical intersection confirming an ultrafast structural reorientation. On the contrary, TAS measurements of NF thin‐film exhibited a longer excited‐state lifetime suggesting a hindered molecular twisted state formed as an intermediate step. Photophysical kinetic models are proposed to globally fit the fs‐TAS data establishing the twisted intramolecular charge transfer (TICT) state mediated ground state recovery for NF in solution and thin film, respectively. Temperature‐dependent photoluminescence study of NF film provided a clear insight into the effect of rotational motion of phenyl rings in NF molecules over the TICT mediated emission.
Applying Machine Learning to Stem Cell Culture and Differentiation
Authors: Ashraf Mishal , Khalilitousi Mohammadali , Laksman Zachary 
Published: September 2021

AbstractMachine learning techniques are increasingly becoming incorporated into biological research workflows in a variety of disciplines, most notably cancer research and drug discovery. Efforts in stem cell research comparatively lag behind. We detail key paradigms in machine learning, with a focus on equipping stem cell biologists with the understanding necessary to begin conceptualizing and designing machine learning workflows within their own domain of expertise. Supervised approaches in both regression and classification as well as unsupervised clustering techniques are all covered, with examples from across the biological sciences. High‐throughput, high‐content, multiplex assays for data acquisition are also discussed in the form of single‐cell RNA sequencing and image‐based approaches. Lastly, potential applications in stem cell biology, including the development of novel cell types, and improving model maturation are also discussed. Machine learning approaches applied in stem cell biology show promise in accelerating progress in developmental biology, drug screening, disease modeling, and personalized medicine. © 2021 Wiley Periodicals LLC.
Interspecies interaction intensity influences water consumption in wheat–maize intercropping by regulating root length density
Authors: Wang Yifan , Yin Wen , Hu Falong , Fan Zhilong , Zhao Cai , Yu Aizhong , Chai Qiang 
Published: September 2021

AbstractIn intercropping systems, interspecies interaction intensity has an important effect on water consumption. However, how interspecies interaction intensity reduces water consumption in intercropping is still unclear. The effects of interspecies interaction intensity in wheat (Triticum aestivum)–maize (Zea mays) intercropping system on water consumption characteristics, root length density, and grain yield were examined. A 3‐yr field experiment was conducted to evaluate three root interaction intensities: complete belowground interaction (W/M, without root barrier), partial belowground interaction (NW/M, nylon mesh barrier), and without belowground interaction (PW/M, plastic sheet barrier), with two plant densities of maize (45,000 plants ha−1, M1, and 52,500 plants ha−1, M2) in wheat–maize intercropping system. During co‐growth period of wheat and maize and independent growth of maize, evaporation was reduced by W/M and with increased maize plant density. Root length density of maize was inhibited by intercropped wheat during the co‐growth period. Root length density of maize in the W/M treatment was increased by 14% in 2014 and 45% in 2015, compared with the NW/M treatment, and increased by 26% in 2014 and 119% in 2015, compared with the PW/M treatment, expect for 2016, during maize independent growth. Moreover, there was a negative correlation between evaporation and root length density of maize. Grain yield was increased by W/M2 treatment. Increasing interspecies interaction intensity can decrease evaporation by increasing the root length density of intercropping crops.
Interactions of the barley SD1 and SD2 seed dormancy loci influence preharvest sprouting, seed dormancy, and malting quality
Authors: Sweeney Daniel W. , Rooney Travis E. , Walling Jason G. , Sorrells Mark E. 
Published: September 2021

AbstractPreharvest sprouting (PHS) can severely damage barley (Hordeum vulgare L.) malting quality and is of particular concern in locations with a high frequency of precipitation around harvest. Malting quality and PHS resistance are often negatively correlated, and the SD2 locus on chromosome 5H has been associated with both traits. Using three spring barley populations, PHS, seed dormancy, and germination rate were mapped over six time points to identify changes in genetic control of these traits during the after‐ripening period. HvAlaAT1 at the SD1 locus was associated with long‐term dormancy and reduced germination rate. Ninety lines were Sanger sequenced for HvGA20ox1, but variants were not associated with PHS or germination traits. The allelic state of HvMKK3 was strongly associated with genetic PHS susceptibility in North American spring two‐row barley germplasm and interactions between HvAlaAT1 and HvMKK3 were associated with changes in seed dormancy and germination rate over time. Several malting quality traits were associated with HvMKK3 alleles. Kompetitive allele‐specific polymerase chain reaction (KASP) markers were developed for the causal mutations in HvAlaAT1 and HvMKK3 and a diagnostic mutation in HvGA20ox1. Haplotypes with PHS resistance, short primary dormancy, and a high germination rate were identified that could be useful for breeding for PHS resistance and malting quality.
Prevalence of high‐risk human papillomavirus DNA and mRNA and its association with abnormal anal cytology in the Czech male anal cancer screening cohort
Authors: Nemcova Jana , Cerna Katerina , Rob Filip , Smahelova Jana , Tresnak Hercogova Jana , Marx Josef , Traxmandlova Iva , Ondic Ondrej 
Published: September 2021

AbstractBackgroundAnal cancer (AC) screening is justified in high‐risk populations, particularly HIV‐positive men having sex with men (MSM). HR‐HPV testing could improve the efficiency of cytologically based screening of AC, as in the screening of biologically analogical cervical cancer. The specificity of HR‐HPV testing is influenced by the prevalence of HR‐HPV infection in the screened population. Reported anal HR‐HPV DNA prevalence in MSM is high, but HR‐HPV mRNA reflects rather long‐term infections and is more specific for high‐grade lesions. However, no data were published about HR‐HPV DNA and mRNA prevalence in the Czech AC screening population.MethodResults of liquid‐based anal cytology of 203 predominantly HIV‐positive MSM from the Czech AC screening cohort were correlated with results of DNA and E6/E7 mRNA testing of 14 HR‐HPV types, and HPV16 genotyping. Eighty‐one MSM underwent a standard anoscopy.ResultsA total of 109 (53.7%) samples had abnormal cytology, with 12 (5.9%) ASC‐H/HSIL, 67 (33.0%) samples cytologically negative, and 27 (13.3%) unsatisfactory. HR‐HPV DNA was detected in 134 (66.0%) and HR‐HPV RNA in 72 (35.5%) anal smears. HR‐HPV mRNA and HPV16 mRNA positivity were associated with abnormal cytology (p = .0037, p = .0021). No significant association was found between HR‐HPV DNA or HPV16 DNA positivity and abnormal cytology. No high‐grade lesions were revealed by anoscopy.ConclusionPrevalence of anal HR‐HPV DNA among Czech MSM is high, however, the prevalence of HR‐HPV mRNA is half and associated with abnormal cytology. Our results indicate an increased efficiency of cytological screening when combined with HR‐HPV mRNA testing.
Finding Liebig’s law of the minimum
Authors: Tang Jinyun , Riley William J. 
Published: September 2021

AbstractLiebig’s law of the minimum (LLM) is often used to interpret empirical biological growth data and model multiple substrates co‐limited growth. However, its mechanistic foundation is rarely discussed, even though its validity has been questioned since its introduction in the 1820s. Here we first show that LLM is a crude approximation of the law of mass action, the state of art theory of biochemical reactions, and the LLM model is less accurate than two other approximations of the law of mass action: the synthesizing unit model and the additive model. We corroborate this conclusion using empirical data sets of algae and plants grown under two co‐limiting substrates. Based on our analysis, we show that when growth is modeled directly as a function of substrate uptake, the LLM model improperly restricts the organism to be of fixed elemental stoichiometry, making it incapable of consistently resolving biological adaptation, ecological evolution, and community assembly. When growth is modeled as a function of the cellular nutrient quota, the LLM model may obtain good results at the risk of incorrect model parameters as compared to those inferred from the more accurate synthesizing unit model. However, biogeochemical models that implement these three formulations are needed to evaluate which formulation is acceptably accurate and their impacts on predicted long‐term ecosystem dynamics. In particular, studies are needed that explore the extent to which parameter calibration can rescue model performance when the mechanistic representation of a biogeochemical process is known to be deficient.
Structure and Reactivity of NO/NO+/NO−Pincer and Porphyrin Complexes
Authors: Gallego Cecilia Mariel , Mazzeo Agostina , Gaviglio Carina , Pellegrino Juan , Doctorovich Fabio 
Published: September 2021

AbstractThis review covers recent progress in the field of nitrosyl pincer and porphyrinate complexes, and how their reactivity depends on the redox state of the NO ligand. Synthetic methods, and the most significant structural information, spectroelectrochemical studies, and different reactivities of nitrosyl pincer complexes are presented. These include selective activation and functionalization of carbon‐halogen bonds, catalysis for a variety of specific organic reactions, mediation of NO disproportionation and reversible coordination of solvents and weakly‐coordinating anions. Regarding the porphyrinate complexes, the focus is on biorelevant nitroxyl (NO−/HNO) complexes, discussing pioneering studies along with preparation and common characterization methods. Their relative stability in different conditions is compared, and possible decomposition mechanisms are discussed in terms of their ability to act as biomimetic models for enzymatic systems.
Some Surprising Transformations of Colchicone and Other Colchicine‐Derived Tropolones
Authors: Stein Andreas , Hilken née Thomopoulou Persefoni , Schulte Tim , Neudörfl Jörg , Breugst Martin , Schmalz Hans‐Günther 
Published: September 2021

AbstractThe alkaloid colchicine represents a prominent lead structure for the development of tubulin‐binding chemotherapeutics. In the course of explorative research into semi‐synthetic colchicinoids we stumbled upon a number of unexpected and mechanistically surprising transformations which reflect the very particular reactivity of the tropolone ether unit and its interplay with adjacent functional groups. Examples are the selective C‐8‐methylation of colchicone upon reaction with the Wittig reagent triphenylphosphonium methylide, the AlMe3‐mediated isomerization of colchicone to a tetracyclic lactone, and the cyanide‐induced reaction of the colchicol‐derived mesylate to a rearranged and ring B‐defunctionalized cyano‐allo‐colchicinoid. Finally, the fragmenting rearrangement of a tetracyclic colchicinoid with BF3⋅OEt2 in the presence of vinyl‐MgBr afforded a tropolonyl difluoroborate under concomitant transfer of an O‐methyl group from ring C to ring A.
Auditory change‐related cortical response is associated with hypervigilance to pain in healthy volunteers
Authors: Otsuru Naofumi , Ogawa Mayu , Yokota Hirotake , Miyaguchi Shota , Kojima Sho , Saito Kei , Inukai Yasuto , Onishi Hideaki 
Published: September 2021

AbstractBackgroundPatients with chronic pain exhibit hypervigilance (heightened responsiveness to stimuli) to innocuous auditory stimuli as well as noxious stimuli. “Generalized hypervigilance” suggests that individuals who show heightened responsiveness to one sensory system also show hypervigilance to other modalities. However, research exploring the existence of generalized hypervigilance in healthy subjects is limited.MethodsWe investigated whether hypervigilance to pain is associated with auditory stimuli in healthy subjects using the pain vigilance and awareness questionnaire (PVAQ) and auditory change‐related cortical responses (ACRs). ACRs are thought to reflect a change detection system, based on preceding sensory memory. We recorded ACRs under conditions that varied in terms of the accumulation of sensory memory as follows: short‐ACR, with short preceding continuous stimuli and long‐ACR, with long preceding continuous stimuli. In addition, the attention to pain (PVAQ‐AP) and attention to changes in pain (PVAQ‐ACP) subscales were evaluated.ResultsAmplitudes of long‐ACR showed significant positive correlations with PVAQ‐ACP, whereas those of short‐ACR did not show any significant correlations.ConclusionsGeneralized hypervigilance may be observed even in healthy subjects. ACR may be a useful index to evaluate the hypervigilance state in the human brain.
Contemporary electrochemical sensing and affinity biosensing to assist traces metal ions determination in clinical samples
Authors: Campuzano Susana , Pedrero María , Yáñez‐Sedeño Paloma , Pingarrón José M. 
Published: September 2021

AbstractThe determination of metals in clinical samples is an important challenge since their levels are relevant to ensure personal exposure to safe environments, as well as to assist in the prevention and treatment of disease. The low concentrations of metal ions in clinical samples and their coexistence with other metals and/or molecules of diverse nature implies the need for sensitive and selective analytical methodologies, which can be provided by conventional techniques. However, most of these techniques do not satisfy other highly demanded requirements such as high sampling frequency, multiplexed ability, and in‐field analysis. In this context, the simplicity, speed of response, and compatibility with single or multiplexed point‐of‐care determinations have led to the successful incursion of electrochemical (bio)sensing into the clinical field for the determination of these analytes. Electrochemical (bio)devices have come on strong by exploiting and combining the unique attributes provided by electrochemical techniques (primarily voltammetry but also giving way to impedimetry in electrochemical affinity biosensing), electrode materials (Hg, Bi, Sb, Au, GCE, CPE, ITO, FTO), and substrates (conventional, screen‐printed, flexible, paper, wearable or tattoo‐type), suitable modifiers (nanomaterials, polymers, mesoporous films), bioreceptors (aptamers, peptides, biomolecular switches, DNAzymes, and DNA molecules), and nucleic acid amplification strategies (rolling circle and exonucleases‐assisted target recycling). Therefore, the purpose of this review is to provide a bird's eye view of the state of the art, discussing the remarkable opportunities and potentialities demonstrated in the last decade by electrochemical sensors and electrochemical affinity biosensors for the analysis of metal ions in challenging clinical samples and forecasting future directions in this exciting field.
Evaluation of photocatalytic performance and cytotoxic activity of green synthesized nickel ferrite nanoparticles
Authors: Miri Abdolhossein , Sarani Mina , Najafidoust Ahmad , Varma Rajender S. 
Published: September 2021

AbstractMagnetic nanoparticles (NPs) have widespread applications in magnetic storage, catalysis, and oil industries as well as medicine. Herein, nickel ferrite nanoparticles (NiFe2O4 NPs) were synthesized using torajabin aqueous solution and were identified by powder X‐ray diffraction, vibrating sample magnetometer (VSM) and energy dispersive X‐ray, field‐emission scanning electron microscope and Raman spectroscopy. The results showed that the average particle size of synthesized spherical NPs was 40–60 nm while VSM analysis affirmed their ferromagnetic behavior. The cytotoxic analysis revealed a nontoxic behavior at concentrations below 200 μg/ml on colon (HT‐29) cell line. Photocatalytic activity of synthesized nickel ferrite NPs on methylene blue (MB), Rhodamine B, and acid orange 7 dyes were investigated under visible light radiation wherein they could remove 81.1% of MB in 120 min. Therefore, synthesized NPs can be an appropriate option for the remediation of environmental pollutants in a short span of time without the need for extreme conditions.
Assessment of waste‐to‐energy potential of ELT management: An actual case study for Erzincan
Authors: Güngör Osman , Tozlu Alperen , Arslantürk Cihat 
Published: September 2021

AbstractEnd‐of‐life tires (ELTs) and their decomposition are becoming a major environmental issue in the local region as a result of economic and technological challenges. Despite this, ELT management is gaining popularity as an advanced function for treating tires to obtain char, oil, and gas products using pyrolysis. The main goal of this article is to integrate data from an actual recycling plant with the activities of pyrolysis products and their physical properties in the literature. This article presents energy potentials and basic applications of pyrolysis products as well as advances in the current situation in ELT management in the world. Accordingly, an existing ELT management in Erzincan, Turkey is explained in detail by considering the available energy recovery and material treatment activities. In this plant, which has an installed power capacity of 12 MW, approximately 25 tons of pyrolytic oil, 10.7 tons of pyrolytic gas, 24 tons of carbon black and, 10.4 tons of steel are produced daily. The calorific values of carbon black and pyrolytic oil for the products leaving the pyrolysis plant are close to the values in the literature, which is promising. In the plant, the overall thermal efficiency of the system and the engine is found to be 26.34% and 51.24%, respectively. On the other hand, to supply additional power to the plant utilizing exhaust gas discharged to the atmosphere, some thermodynamic models can be developed; additionally, more rational values can be obtained through thermoeconomic and optimization.
Occurrences and Potential Sources of Halogenated Polycyclic Aromatic Hydrocarbons Associated with PM2.5 in Mumbai, India
Authors: Kawatsu Yoko , Masih Jamson , Ohura Takeshi 
Published: September 2021

Abstract
Occurrences of chlorinated and brominated polycyclic aromatic hydrocarbons (ClPAHs and BrPAHs, respectively) in fine aerosol particulate matter &lt;2.5 μm in diameter were investigated in urban and suburban sites in Mumbai, India; and the possible sources from association with indicators, such as hopanes, steranes, and trace elements are discussed. The mean concentrations of total ClPAHs and BrPAHs were 0.54 and 0.25 ng/m3 in the urban site and 0.16 and 0.02 ng/m3 in the suburban site during the campaign, respectively. The variations in total Cl-/BrPAH concentrations showed a similar trend between the urban and suburban sites, whereas the composition profiles varied in each air sample. The relationships between the concentrations among individual compounds in the urban site suggest that dominant sources of Cl-/BrPAHs could be common to PAHs but not in the suburban site. Principal component analysis using the data set of certain compounds showed that Cl-/BrPAH concentrations in urban and suburban sites are occasionally driven by specific sources of either coal combustion or traffic emissions. In contrast, most air samples during the campaign could be attributed to a mix of those sources. Environ Toxicol Chem 2022;41:312–320. © 2021 SETAC
Online characterization of operational parameters in an SOFC system with anode‐exhaust gas recirculation by oxygen sensors
Authors: Schaefer Felix , Egger Sebastian , Steiner Dietmar , Eichel Rüdiger‐A. 
Published: September 2021

AbstractIn solid oxide fuel cell (SOFC) system with anode‐exhaust gas recirculation (AEGR), a part of the depleted anode‐exhaust gas is recirculated and mixed with fresh natural gas prior to entering the reformer, resulting in a high potential of direct current‐efficiencies of up to 65%. However, for SOFC systems, it is of crucial importance to monitor relevant characteristic parameters and keep them within safe and durable operating limits. Such characteristic parameters are oxygen‐to‐carbon‐ratio and fuel utilization, which must not exceed system‐specific thresholds. Monitoring and control of these characteristic parameters is not trivial and a challenging task due to the enhanced system complexity. The authors present an approach and studies for determination and controlling characteristic parameters in an SOFC system with AEGR based on oxygen sensors. Therefore, the oxygen sensors, being a mature and easily available technology, are aimed to be in the fuel gas path at anode inlet and outlet of an SOFC‐stack. Analytical correlations of the output value of oxygen sensors to characteristic parameters and simulative studies on the basis of a reference natural gas composition are shown. Additionally, first results of experimental studies of oxygen sensors in representative gas compositions for the anode inlet and outlet of an SOFC system with AEGR are presented.
Life‐Years & Rationing in the Covid‐19 Pandemic: A Critical Analysis
Authors: Gaurke MaryKatherine , Prusak Bernard , Jeong Kyeong Yun , Scire Emily , Sulmasy Daniel P. 
Published: September 2021

AbstractProminent bioethicists have promoted the preservation of life‐years as a rationing strategy in response to the Covid‐19 pandemic. Yet the philosophical justification for maximizing life‐years is underdeveloped and has a complex history that is not reflected in recent literature. In this article, we offer a critical investigation of the use of life‐years, arguing that evidence of public support for the life‐years approach is thin and that organ transplantation protocols (heavily cited in pandemic‐response protocols) do not provide a precedent for seeking to save the most life‐years. We point out that many state emergency‐response plans ultimately rejected or severely attenuated the meaning of saving the most life‐years, and we argue that philosophical arguments in support of rationing by life‐years are remarkably wanting. We conclude by offering a fair alternative that adheres to the standard duties of beneficence, respect for persons, and justice.