bluuebunny/crossref_metadata_2025_split huggingface dataset:
The Solubility of Gases in Ionic Liquids: A Chemoinformatic Predictive and Interpretable Approach
Authors: Carrera Gonçalo V. S. M. , Inês João , Bernardes Carlos E. S. , Klimenko Kyrylo , Shimizu Karina , Canongia Lopes José N. 
Published: August 2021

AbstractThis work comprises the study of solubilities of gases in ionic liquids (ILs) using a chemoinformatic approach. It is based on the codification, of the atomic inter‐component interactions, cation/gas and anion/gas, which are used to obtain a pattern of activation in a Kohonen Neural Network (MOLMAP descriptors). A robust predictive model has been obtained with the Random Forest algorithm and used the maximum proximity as a confidence measure of a given chemical system compared to the training set. The encoding method has been validated with molecular dynamics. This encoding approach is a valuable estimator of attractive/repulsive interactions of a generical chemical system IL+gas. This method has been used as a fast/visual form of identification of the reasons behind the differences observed between the solubility of CO2 and O2 in 1‐butyl‐3‐methylimidazolium hexafluorophosphate (BMIM PF6) at identical temperature and pressure (TP) conditions, The effect of variable cation and anion effect has been evaluated.
Illumination Intensity Dependence of the Recombination Mechanism in Mixed Perovskite Solar Cells
Authors: Castro‐Chong Alejandra , Riquelme Antonio J. , Aernouts Tom , Bennett Laurence J. , Richardson Giles , Oskam Gerko , Anta Juan A. 
Published: August 2021

AbstractRecombination mechanisms in solar cells are frequently assessed through the determination of ideality factors. In this work we report an abrupt change of the value of the “apparent” ideality factor (nAP) in high‐efficiency FA0.71MA0.29PbI2.9Br0.1 based mesoscopic perovskite solar cells as a function of light intensity. This change is manifested as a transition from a regime characterized by nAP∼1.8–2.5 at low light intensities (<10 mWcm‐2) to one characterized by nAP∼1. This transition is equally observed in the recombination resistance extracted from open‐circuit impedance measurements. We use drift‐diffusion simulations with explicit consideration of ion migration to determine the origin of this transition. We find that a change ofrecombination mechanism concurrent with a modification of the concentration of ionic vacancies is the most likely explanation of the observed behaviour. In the drift‐diffusion simulations we show that the apparent ideality factor is in fact affected by the ion vacancy concentration so it is not the optimal parameter to assess the dominant recombination mechanism. We argue that a procedure based on a recently derived “electronic” ideality factor obtained from the high frequency feature of the impedance spectrum is better suited to determine the recombination route that dictates the photovoltage.
Oral Health Assessment Tool (OHAT) deputized to informal caregivers: Go or no go?
Authors: Ho Bach Van , van de Rijt Liza J. M. , Weijenberg Roxane A. F. , van der Maarel‐Wierink Claar D. , Lobbezoo Frank 
Published: August 2021

AbstractObjectiveInvestigating the usability of the Dutch version of the Oral Health Assessment Tool (OHAT‐NL) with informal caregivers of community‐dwelling older people with suspected dementia, without specific training.Materials and methodsIn accordance with guidelines for establishing the cultural equivalency of instruments, the OHAT was translated into Dutch. Fifteen informal caregivers of community‐dwelling older people with suspected dementia and, as a reference standard, a dentist assessed the oral health of the older people using the OHAT‐NL. The caregivers' scores were compared with the dentist's scores. The usability of the OHAT‐NL was rated on a 10‐point scale (0 = incomprehensible, and 10 = very user friendly) and investigated further through short structured interviews.ResultsThere were differences between the dentist's and caregivers' assessments of the individual categories of the OHAT‐NL. The specificity of the need to visit an oral health care professional was 100.0%, while the sensitivity was 78.6%. The informal caregivers concluded that the tool made them more aware of different aspects of oral health. The tool was rated with a mean score of 7.7 (SD 1.7).ConclusionThe OHAT‐NL could be a useful tool for informal caregivers without specific training to indicate whether the person they care for should visit an oral health care professional.
Design and analysis of ultra‐low power 18T adaptive data track flip‐flop for high‐speed application
Authors: Kumar Mishra Alok , Vaithiyanathan Dhandapani , Chopra Urvashi 
Published: August 2021

SummaryThis paper proposes a novel master slave (MS) flip‐flop design achieved by using only 18 transistors with a single‐phase clock and mixed topology. This design has lowest complexity, so flip‐flop basically focuses on the performance issue such as delay (TCQ) and average power consumption and compared with the other existing logic structured flip‐flops. The proposed circuit is implemented at 65‐nm Complementary Metal‐Oxide Semiconductor (CMOS), and 18‐nm finFET technology node using cadence virtuoso. The proposed flip‐flop architecture have outperformed transmission gate flip‐flop (TGFF) in terms of power (i.e., 74.52%). It is also showing improvement in terms of power as compared to 18‐transistor single‐phase clocking (18TSPC). This work also enhances the speed by reducing the delay minimum of 11.28% and PDP minimum of 37.18%. By using adaptive pass transistors topology to construct flip‐flop, the total area of the proposed flip‐flop reduces by a minimum of 4.78% with respect to 18TSPC, and also with the other flip‐flops reported in this paper. The proposed circuit can work properly within the frequency range up to 2‐GHz clock frequency. Monte Carlo simulations of Power and C to Q delay have been performed for 1000 samples.
Recent advances in trophoblast cell‐surface antigen 2 targeted therapy for solid tumors
Authors: Liao Shutan , Wang Bing , Zeng Rong , Bao Haifeng , Chen Xiaomin , Dixit Rakesh , Xing Xiaoyan 
Published: August 2021

AbstractTrophoblast cell‐surface antigen 2 (Trop 2) is a transmembrane glycoprotein that is highly expressed in various cancer types with relatively low or no baseline expression in most normal tissues. Its overexpression is associated with tumor growth and poor prognosis; Trop 2 is, therefore, an ideal therapeutic target for epithelial cancers. Several Trop 2 targeted therapeutics have recently been developed for the treatment of cancers, such as anti‐Trop 2 antibodies and antibody‐drug conjugates (ADCs), as well as Trop 2‐specific cell therapy. In particular, the safety and clinical benefit of Trop 2‐based ADCs have been demonstrated in clinical trials across multiple tumor types, including those with limited treatment options, such as triple‐negative breast cancer, platinum‐resistant urothelial cancer, and heavily pretreated non‐small cell lung cancer. In this review, we elaborate on recent advances in Trop 2 targeted modalities and provide an overview of novel insights for future developments in this field.
Incident light and morphology determine coral productivity along a shallow to mesophotic depth gradient
Authors: Lesser Michael P. , Slattery Marc , Mobley Curtis D. 
Published: August 2021

Abstract

While the effects of irradiance on coral productivity are well known, corals along a shallow to mesophotic depth gradient (10–100 m) experience incident irradiances determined by the optical properties of the water column, coral morphology, and reef topography.

Modeling of productivity (i.e., carbon fixation) using empirical data shows that hemispherical colonies photosynthetically fix significantly greater amounts of carbon across all depths, and throughout the day, compared with plating and branching morphologies. In addition, topography (i.e., substrate angle) further influences the rate of productivity of corals but does not change the hierarchy of coral morphologies relative to productivity.

The differences in primary productivity for different coral morphologies are not, however, entirely consistent with the known ecological distributions of these coral morphotypes in the mesophotic zone as plating corals often become the dominant morphotype with increasing depth.

Other colony‐specific features such as skeletal scattering of light, Symbiodiniaceae species, package effect, or tissue thickness contribute to the variability in the ecological distributions of morphotypes over the depth gradient and are captured in the metric known as the minimum quantum requirements.

Coral morphology is a strong proximate cause for the observed differences in productivity, with secondary effects of reef topography on incident irradiances, and subsequently the community structure of mesophotic corals.
Comparative transcriptome provides insights into the selection adaptation between wild and farmed foxes
Authors: Yang Xiufeng , Liu Guangshuai , Wang Qi , Gao Xiaodong , Xia Tian , Zhao Chao , Dou Huashan , Zhang Honghai 
Published: August 2021

AbstractThe silver fox and blue fox are economically important fur species and were domesticated by humans from their wild counterparts, the arctic fox and red fox, respectively. Farmed foxes show obvious differences from their wild counterparts, including differences in physiology, body size, energy metabolism, and immunity. However, the molecular mechanisms underlying these differences are presently unclear. In this study, we built transcriptome libraries from multiple pooled tissues for each species of farmed fox, used RNA‐seq to obtain a comprehensive dataset, and performed selection analysis and sequence‐level analyses of orthologous genes to identify the genes that may be influenced by human domestication. More than 153.3, 248.0, 81.6, and 65.8 million clean reads were obtained and assembled into a total of 118,577, 401,520, 79,900, and 186,988 unigenes with an average length range from 521 to 667 bp for AF, BF, RF, and SF, respectively. Selective pressure analysis showed that 11 and 14 positively selected genes were identified, respectively, in the two groups (AF vs. BF and RF vs. SF). Several of these genes were associated with natural immunity (CFI and LRRFIP1), protein synthesis (GOLGA4, CEP19 and SLC35A2), and DNA damage repair (MDC1). Further functional enrichment analyses demonstrated that two positively selected genes (ACO1 and ACAD10) were involved in metabolic process (GO:0008152, p‐value = .032), representing a significant enrichment. Sequence analysis of 117 orthologous genes shared by the two groups showed that the LEMD2, RRBP1, and IGBP1 genes might be affected by artificial selection in farmed foxes, with mutation sites located within sequences that are otherwise highly conserved across most mammals. Our results provide a valuable transcriptomic resource for future genetic studies and improvement in the assisted breeding of foxes and other farmed animals.
Addressing regional relationships between white‐tailed deer densities and land classes
Authors: Hanberry Brice B. 
Published: August 2021

AbstractWhite‐tailed deer (Odocoileus virginianus) populations have recovered to about 30 million animals in the United States, but land cover has changed during the interval of recovery. To address the relationship between deer densities and current land cover at regional scales, I applied random forests and extreme gradient boosting classifiers to model low and high deer density classes, at two different thresholds (5.8 and 11.6 deer/km2), and land classes in three regions during approximately 2003. For low and high deer density classes divided at 5.8 deer/km2, deciduous broadleaf forest overall was the most influential and positive variable in the central east and central regions and crop and pasture were the most influential and negative variables in the southeast region. Deer density increased with area of deciduous and mixed forests, woody wetlands, and shrub in all regions. Deer density decreased with area of crop, developed open space, and developed low and medium residential density in all regions. For density classes divided at 11.6 deer/km2, deer density had the strongest relationship with woody wetlands in the central east region, mixed and deciduous forest in the southeast region, and woody wetlands and herbaceous vegetation in the central region. Deer density increased with deciduous and mixed forests, woody wetlands, and shrub in all regions. Conversely, deer density decreased with herbaceous vegetation, crop, and developed low residential densities in all regions. Therefore, at regional scales, deer overall occurred at greater densities in forests and woody wetlands and lower densities in agricultural and residential development, which did not appear to support more deer. Deer preference for forests does result in damage to forest products, but alternatively, some may consider that deer provide important socioeconomic and ecological services by reducing number of small trees, particularly in the absence of other disturbances that historically controlled tree biomass.
Rhodium‐Catalyzed Additive‐Free C−H Ethoxycarbonylation of (Hetero)Arenes with Diethyl Dicarbonate as a CO Surrogate
Authors: Suzuki Hirotsugu , Liao Yumeng , Kawai Yuya , Matsuda Takanori 
Published: August 2021

AbstractA rhodium‐catalyzed C(sp2)‐H ethoxycarbonylation of indoles and arylpyridines using diethyl dicarbonate was developed. The catalytic process features an additive‐free ethoxycarbonylation reaction, in which only ethanol and CO2 are produced as byproducts, providing a CO‐free and operationally simple protocol. The introduced ethoxycarbonyl group is easily transformed into other ester and amide functionalities in a single step. Moreover, the reaction can be successfully applied on gram scale, and allows for the efficient synthesis of indole‐2‐carboxylic acid esters and isophthalates.
Asymmetric Organocatalysis Accelerated via Self‐Assembled Minimal Structures
Authors: Sinibaldi Arianna , Della Penna Francesca , Ponzetti Marco , Fini Francesco , Marchesan Silvia , Baschieri Andrea , Pesciaioli Fabio , Carlone Armando 
Published: August 2021

AbstractSelf‐assembling minimalistic peptides embedded with an organocatalytic moiety were designed. By controlling the formation of fibrils via external intervention, it was shown that the activation is accelerated when the organocatalyst is in its supramolecular state. The effect of the accelerated catalysis was demonstrated in a Michael benchmark reaction.
The Construction of Stimulus‐responsive Film Electrode by the Cu‐catalyzed Radical Polymerization and its Application in Multi‐valued Biologic Systems
Authors: Ma Pengcheng , Ma Xiaoyan , Chen Fang 
Published: August 2021

AbstractN‐isopropylacrylamide was polymerized on the surface of copper‐plated carbon paper electrode by a novel redox initiation system composed of persulfate and copper nanoparticles, and the PNIPAAm−Cu NPs@CP film electrode was obtained. Cyclic voltammetry (CV) results showed that the electrode exhibits a reversible temperature, pH and glucose switchable electrical signal response through the ferrocene carboxylic acid (Fc(COOH)). With this basis, a 4‐current output logic gate system consisting of 3‐response inputs of temperature, pH, and glucose was fabricated and a corresponding logic circuit for 3‐input/4‐output ports was established. This work might provide a new avenue for the development of multi‐valued biologic systems.
Kinetic, isotherm, thermodynamic, and adsorption capacity studies of magnetic Spirulina microalgae onto zinc (II)
Authors: Azadian Meysam , Ghanadzadeh Gilani Hossein , Rajabi‐Kuyakhi Hossein , Gharibipour Nazanin 
Published: August 2021

AbstractIn this study, magnetic biosorbent from Spirulina microalgae were employed as adsorbent for Zinc (II) elimination. The adsorbent characteristics were examined employing scanning electron microscopy (SEM) and the Fourier transform infrared spectrum (FTIR). The consequence of adsorption parameters such as initial pH, contact time, temperature, the dosage of adsorbent, and initial metal ion concentration in the solution was evaluated employing a batch method. The optimal adsorbent for Zn(II) adsorption onto Spirulina microalgae (SM) and magnetic (MSM) were obtained at pH = 6, 0.03 g/L. An equilibrium time of and 10 min was necessary for the adsorption onto SM and MSM. Freundlich and Langmuir isotherm models were applied to investigate the adsorption equilibrium data. The kinetic of the pseudo‐second‐order confirms the elimination process of zinc ions onto adsorbents. The high adsorption capacity of Zn(II) ion onto SM and MSM was 500 mg/g.
Scale of human mobility in northwestern Patagonia: An approach based on regional geology and strontium isotopes in human remains
Authors: Fernández M. Victoria , Gordón Florencia , le Roux Petrus J. , Winocur Diego , Lucero Gustavo , Benítez Anahí , Rindel Diego , Della Negra Claudia , Bernal Valeria , Barberena Ramiro 
Published: August 2021

AbstractStrontium isotopes facilitate the study of human paleogeography and have widened the scope of archaeological enquiries on mobility. We present an approach based on strontium isotopes (87Sr/86Sr) to study the mobility of hunter–gatherer societies from northwestern Patagonia (Neuquén, Argentina). The analysis is developed on the basis of a macro‐regional geological framework that guides the sampling and interpretation of results. We also present results for fauna to begin building a landscape of bioavailable strontium to be utilized in the interpretation of results from human samples. These first results conform to general expectations and show the most radiogenic 87Sr/86Sr values for the oldest geological provinces, while low values are recorded for recent substrates. Additionally, we provide results for human samples from archaeological sites spanning the last 4000 years, a period during which a number of important socio‐demographic changes occurred. The results in human samples indicate overall isotopic fidelity to the values recorded in the local geology, suggesting a relatively restricted spatial scale of mobility during the late Holocene. This discussion is situated in a biogeographic research framework assessing topographic variation and landscape seasonality, and contributes toward understanding the movements of people, flow of material objects, and circulation of information in the Patagonian Andes.
Harmonisierung in der Geotechnik – ein einheitliches Nachweisverfahren
Authors: Tafur Elias , Ziegler Martin 
Published: August 2021

AbstractDie in Europa angewendeten unterschiedlichen Nachweisverfahren der EN 1997 beruhen auf unterschiedlichen Traditionen und Philosophien in den einzelnen Ländern bei der Art und dem Zeitpunkt der Faktorisierung von Einwirkungen und Widerständen. Die dadurch entstandene Vielfalt der Nachweisformate wird auch in der zukünftigen Normengeneration beibehalten. Das Ziel eines harmonisierten Nachweisverfahrens mit einem einheitlichen Sicherheitsniveau wird damit wieder nicht erreicht.Im vorliegenden Aufsatz wird daher das sog. MRFA‐Nachweisverfahren vorgestellt, das auf den Grundgleichungen der EN 1990 basiert und für die jeweiligen Parameter in der Grenzzustandsgleichung (Einwirkungen, Beanspruchungen, Baugrundwiderstände, geotechnische Kenngrößen) einen eigenen Teilsicherheitsbeiwert vorsieht. Zur zahlenmäßigen Bestimmung dieser Teilsicherheitsbeiwerte wurden Zuverlässigkeitsberechnungen für übliche geotechnische Bauwerke mit unterschiedlichen Randbedingungen und für verschiedene Grenzzustände so durchgeführt, dass damit eine vorgegebene Versagenswahrscheinlichkeit nicht überschritten wird. In einem Anwendungsbeispiel wird die Vorgehensweise erläutert.
Seasonal variations in energy exchange and evapotranspiration of an oasis‐desert ecotone in an arid region
Authors: Ji Xibin , Zhao Wenzhi , Jin Bowen , Liu Jane , Xu Feinan , Zhou Hai 
Published: August 2021

AbstractKnowledge of exchanges of energy and water over terrestrial surfaces is the first step towards understand the ecohydrological mechanisms, particularly in water‐limited ecosystems in dryland environments. However, patterns of energy exchange and evapotranspiration (ET) are not well understood in the oasis‐desert ecotone, which plays an important role in protecting oases against the threat of desertification in arid regions of northwestern China. Here, the continuous measurements of surface energy fluxes were made using eddy covariance in conjunction with auxiliary measurements for 2 years (2014–2015) in an oasis‐desert ecotone mainly covered by phreatophyte shrubs Haloxylon ammodendron, Nitraria tangutorum/sphaerocarpa, and Calligonum mongolicum in arid northwestern China. Based on the collated data for 2 years, statistical analysis on a 30‐min time scale indicated that approximately 50% of daytime net radiation (Rn) in the ecotone was dissipated as H on average, and one‐third of Rn was consumed by soil heat flux (G). Only 9% of Rn was consumed for latent heat flux (λE), which peaked in summer (21% in 2014 and 16% in 2015), corresponding to the highest rainfall season. Daily mean ET was approximately 1 mm days−1 during the growing season of the shrub species. Accumulated annual ET was 195 and 181 mm in 2014 and 2015, respectively, exceeding the corresponding precipitation (P) by approximately 87 and 77 mm, indicating that groundwater may be another important source of water for ET in the ecotone aside from rainfall. Results within provide valuable insights into the mechanisms responsible for sustaining energy and water balance in the ecotone, a potentially groundwater‐dependent ecosystem. These results also offer a foremost ecohydrological implication for water and land resources management and ecotone conservation, such as avoiding heavy groundwater pumping for extensive agricultural irrigation use to sustain groundwater availability for these shrub species in the ecotone.
EIF4A3‐mediated hsa_circ_0088088 promotes the carcinogenesis of breast cancer by sponging miR‐135‐5p
Authors: Liu Qun , Dong Huiting 
Published: August 2021

AbstractCircular RNAs have participated in oncology progress. Nevertheless, the potential mechanisms are not completely understood. We intended to inspect the functions of hsa_circ_0088088 on breast malignancy, together with the possible mechanism(s). hsa_circ_0088088 expression in breast malignancy was studied using quantitative real‐time reverse transcription‐polymerase chain reaction (qRT‐PCR). The overall survival was studied by the Kaplan–Meier curve. The biological functions of hsa_circ_0088088 aberrant expression on cell growth and metastasis were evaluated in MDA‐MB‐231 cells. Bioinformatics analysis, RNA immunoprecipitation (RIP), and qRT‐PCR were accomplished to confirm the possible regulatory effects of eukaryotic initiation factor 4A3 (EIF4A3) on the biogenesis of hsa_circ_0088088. Furthermore, a dual‐luciferase reporter assay, qRT‐PCR, and RNA pull‐down assay were used to confirm the association between the hsa_circ_0088088 and miR‐135‐5p in MDA‐MB‐231 cells. hsa_circ_0088088 was upregulated in the tumor tissues and cells, and higher expression presented an unfavorable prognosis. hsa_circ_0088088 overexpression promoted cell growth and metastasis in MDA‐MB‐231 cells. EIF4A3 was found to positively regulate hsa_circ_0088088. Furthermore, we confirmed that hsa_circ_0088088 sponges miR‐135‐5p and directly targets miR‐135‐5p with respect to the cell growth and metastasis in MDA‐MB‐231 cells. Our data suggest that EIF4A3‐induced hsa_circ_0088088 stimulates the carcinogenic effects of breast tumors by sponging miR‐135‐5p.