bluuebunny/crossref_metadata_2025_split huggingface dataset:
Molecular docking studies of YKT tripeptide and drug delivery system with poly(ε‐caprolactone) nanoparticles
Authors: Bicak Bilge , Kecel‐Gunduz Serda , Budama‐Kilinc Yasemin , Ozdemir Burak 
Published: February 2022

AbstractTyrosyllysylthreonine (YKT) is a peptide structure that contains three different amino acids in its structure and has anticancer properties. The main purpose of this study is to reveal the structural interactions of the peptide and to increase the efficiency of the peptide with nanoformulation. For these purposes, YKT‐loaded poly(ε‐caprolactone) (PCL) nanoparticles (NPs) were synthesized using the double‐emission precipitation method and the obtained NPs were characterized with a Zeta Sizer, UV‐Vis, Fourier transform infrared–attenuated total reflection spectrometers, scanning electron microscopy, and transmission electron microscopy. The in vitro release profile of the peptide‐loaded PCL NPs was determined. In molecular modeling studies, PCL, PCL–polyvinyl alcohol (PVA), and PCL–PVA–YKT systems were simulated in an aqueous medium by molecular dynamics simulations, separately. The information about the interactions between the YKT tripeptide and the epidermal growth factor and androgen, estrogen, and progesterone receptors were obtained with the molecular docking study. Additionally, the ADME profile of YKT was determined as a result of each docking study. In conclusion, tripeptide‐based nanodrug development studies of the YKT tripeptide are presented in this study.
Memory for facial expressions on the autism spectrum: The influence of gaze direction and type of expression
Authors: Macinska Sylwia , Jellema Tjeerd 
Published: February 2022

AbstractFace memory research in autism has largely neglected memory for facial expressions, in favor of memory for identity. This study in three experiments examined the role of gaze direction and type of expression on memory for facial expressions in relation to the autism spectrum. In the learning phase, four combinations of facial expressions (joy/anger) and gaze direction (toward/away), displayed by 16 different identities, were presented. In a subsequent surprise test the same identities were presented displaying neutral expressions, and the expression of each identity had to be recalled. In Experiment 1, typically‐developed (TD) individuals with low and high Autism Quotient (AQ) scores were tested with three repetitions of each emotion/gaze combination, which did not produce any modulations. In Experiment 2, another group of TD individuals with low and high AQ scores were tested with eight repetitions, resulting in a “happy advantage” and a “direct gaze advantage”, but no interactions. In Experiment 3, individuals with high‐functioning autism (HFA) and a matched TD group were tested using eight repetitions. The HFA group revealed no emotion or gaze effects, while the matched TD group showed both a happy and a direct gaze advantage, and again no interaction. The results suggest that in autistic individuals the memory for facial expressions is intact, but is not modulated by the person's expression type and gaze direction. We discuss whether anomalous implicit learning of facial cues could have contributed to these findings, its relevance for social intuition, and its possible contribution to social deficits in autism.Lay summaryIt has often been found that memory for someone's face (facial identity) is less good in autism. However, it is not yet known whether memory for someone's facial expression is also less good in autism. In this study, the memory for expressions of joy and anger was investigated in typically‐developed (TD) individuals who possessed either few or many autistic‐like traits (Experiments 1 and 2), and in individuals with high‐functioning autism (Experiment 3). The gaze direction was also varied (directed either toward, or away from, the observer). We found that TD individuals best remembered expressions of joy, and remembered expressions of both joy and anger better when the gaze was directed at them. These effects did not depend on the extent to which they possessed autistic‐like traits. Autistic participants remembered the facial expression of a previously encountered person as good as TD participants did. However, in contrast to the TD participants, the memory of autistic participants was not influenced by the expression type and gaze direction of the previously encountered persons. We discuss whether this may lead to difficulties in the development of social intuition, which in turn could give rise to difficulties in social interaction that are characteristic for autism.
Deciphering binding affinity, energetics, and base specificity of plant alkaloid Harmane with AT and GC hairpin duplex DNA
Authors: Luikham Soching , A Mavani , Bhattacharyya Jhimli 
Published: February 2022

AbstractInsights into binding efficacy and thermodynamic aspects of small molecules are important for rational drug designing and development. Here, the interaction of Harmane (Har), a very important bioactive indole alkaloid, with AT and GC hairpin duplex−DNAs has been reported using various biophysical tools. Detailed molecular mechanism with special emphasis on binding nature, base specificity, and thermodynamics have been elucidated via probing nucleic acids with varying base compositions. Har bound to both the DNA strands exhibited hypochromic effect in absorbance whereas bathochromic and hypochromic effects in fluorescence spectra. The binding constants estimated were in the order of 105 M−1 (higher for GC sequence compared with AT) with 1:1 stoichiometry. Noncooperative binding mode has been observed via intercalation in both the cases. The thermodynamic profile was obtained from temperature‐dependent fluorescence experiments. Both Har–AT and Har–GC complexations were exothermic in nature associated with positive entropy and negative enthalpy changes. Salt‐dependent studies revealed that the binding interaction was governed by nonpolyelectrolytic and hydrophobic interaction forces. The ligand‐induced structural perturbation of the DNA structures was evident from the circular dichroism data. Molecular modelling data indicated towards the involvement of hydrophobic forces and hydrogen bonding.
Breast cancer screening among Hispanic and non‐Hispanic White women by birthplace in the Sister Study
Authors: Talham Charlotte J. , Montiel Ishino Francisco A. , O'Brien Katie M. , Sandler Dale P. , Williams Faustine 
Published: February 2022

AbstractBackgroundHispanic/Latina women are less likely to be diagnosed with local stage breast cancer than White women. Additionally, foreign‐born women have lower mammography rates than US‐born women. We evaluated the combined effect of birthplace and race/ethnicity on screening habits of women at higher‐than‐average risk of breast cancer.MethodsMultinomial logistic regression was used to evaluate breast cancer screening in 44,524 women in the Sister Study cohort. Screening methods ascertained at enrollment (2003–2009) included mammography, ultrasound, and magnetic resonance imaging. Timing of screening was assessed as recently (≤2 years ago), formerly (>2 years ago), and never screened. Adjustments included sociodemographic, socioeconomic, and health variables.ResultsMost women in the sample were US‐born non‐Hispanic/Latina White (92%), were ≥50 years old (73%), had one first‐degree female relative with breast cancer (73%), and were screened in the past two years (97%). US‐born Hispanic/Latina women had higher odds (odds ratio [OR] = 1.47, 95% confidence interval [CI] = 1.08–2.00) than US‐born non‐Hispanic/Latina White women of not having received a breast cancer screening in the past 2 years, relative to a recent screening. Similarly, foreign‐born Hispanic/Latina women had higher odds (OR = 1.63, 95% CI = 1.10–2.41) than US‐born non‐Hispanic/Latina White women of never having received a breast cancer screening.ConclusionWe observed that Hispanic/Latina women have higher odds of never and dated breast cancer screenings compared to US‐born White women. Birthplace and race/ethnicity each contribute to disparities in who receives preventative health care in the United States. It is critical to include birthplace when evaluating health behaviors in minority groups.
Direct Crystallization of Diamine Radical Cations: Carbon‐Nitrogen Bond Formation from the Reaction of Triphenylamine with TiCl4, TiBr4, or SnCl4 versus Carbon‐Carbon Bond Formation with SbCl5**
Authors: Roy Mrittika , Walton Jeffrey H. , Fettinger James C. , Balch Alan L. 
Published: February 2022

AbstractDirect synthesis of diamine radical cations in crystalline form proceeding through oxidation of triphenylamine followed by the formation of a new C−N bond is reported. Although the oxidative coupling of triphenylamine is well studied, diamine products are rarely captured in their radical cation state. The neutral diamine most frequently obtained from this reaction pathway is N,N,N’,N’‐tetraphenylbenzidine. Herein, the capture of radical cations of diamines in crystalline form in one step starting with neutral triphenylamine was demonstrated, and the formation of two products (the radical cations of N,N,N′,N′‐tetraphenyl‐1,4‐benzenediamine or N,N,N′,N′‐tetraphenylbenzidine) depending on the oxidizing agent used was observed. The radical species are characterized by single‐crystal X‐Ray diffraction, electron paramagnetic resonance spectroscopy, and optical spectroscopy.
Performance evolution of industrial radiant syngas cooler with radiation screens using numerical simulation
Authors: Wang Lei , Qiu Jianyong , He Qing , Guo Qinghua , Xu Jianliang , Ding Lu , Yu Guangsuo 
Published: February 2022

AbstractRadiant syngas cooler (RSC) is an important piece of equipment for heat recovery and steam generation in the gasification plant. In this work, the industrial RSC model of an opposed multi‐burner coal‐water‐slurry gasification device is established, and the heat recovery performance of RSC is studied by numerical simulation method. The simulation result of the total heat transfer rate is compared with the industrial operation data. The effect of different operating parameters on RSC is further studied, including the operating load, inlet syngas temperature, and ash deposition thickness. The results show that there is a spindle‐shaped high‐temperature zone on the circumferential membrane wall surface with a distance of 6.5 m from the top under the basic operating conditions. There is also an obvious high‐temperature zone in the mid‐upper section of the fire side for the radiation screen. When the operating load decreases from 100% to 60%, the outlet syngas temperature decreases by 167 K, and the steam output decreases by 22%. The influence of inlet syngas temperature on outlet syngas temperature and steam output is approximately linear. For every 10 K drop of inlet syngas temperature, the outlet syngas temperature decreases by 10 K, and the steam output decreases by 0.91 × 103 kg/h. With the increase of the ash deposition thickness, the surface temperature and heat flux of the water wall rise and the outlet syngas temperature increases, while the steam output decreases. The research provides guidance for the design and stable operation of RSC in the radiation‐quenching gasification process.
Ofatumumab plus HyperCVAD/HD‐MA induction leads to high rates of minimal residual disease negativity in patients with newly diagnosed mantle cell lymphoma: Results of a phase 2 study
Authors: Torka Pallawi , Akhtar Othman S. , Reddy Nishitha M. , Baysal Bora E. , Kader Angela , Groman Adrienne , Nichols Jenna , Mavis Cory , Tario Joseph D. , Block AnneMarie W. , Sait Sheila N. J. , Ghione Paola , Sundaram Suchitra , Przespolewski Eugene R. , Mohr Alice , Lund Ian , Kostrewa Jessica , McWhite Kenneth , DeMarco Joseph , Johnson Michael , Darrall Andrea , Thomas‐Talley Rosh‐Neke , Wallace Paul K. , Neppalli Vishala , Hutson Alan , Hernandez‐Ilizaliturri Francisco J. 
Published: February 2022

BackgroundOfatumumab is a humanized type 1 anti‐CD20 monoclonal antibody. Preclinical studies show improved complement‐mediated cytotoxicity (CMC) compared to rituximab in mantle cell lymphoma (MCL). This study evaluates the safety and efficacy of combining ofatumumab with HyperCVAD/MA (O‐HyperCVAD) in newly diagnosed MCL.MethodsIn this single‐arm phase 2 study, 37 patients were treated with the combination of O‐HyperCVAD for 4 or 6 cycles, followed by high dose chemotherapy and autologous stem cell transplant. Primary objectives were overall response rate (ORR) and complete response (CR) rate at the end of therapy. Secondary objectives included minimal residual disease (MRD) negativity, progression‐free survival (PFS), and overall survival (OS).ResultsMedian age was 60 years; ORR was 86% and 73% achieved a CR by modified Cheson criteria. The MRD negativity rate was 78% after 2 cycles of therapy, increasing to 96% at the end of induction; median PFS and OS were 45.5 months and 56 months, respectively. Achieving a post‐induction CR by both imaging and flow cytometry was associated with improved PFS and OS. Early MRD negativity (post‐2 cycles) was also associated with an improved PFS but not OS. There were 3 deaths while on therapy, and grades 3 and 4 adverse events (AEs) were observed in 22% and 68% of the patients.ConclusionThe addition of ofatumumab to HyperCVAD/HD‐MA led to high rates of MRD negativity by flow cytometry in patients with newly diagnosed MCL. Achieving a CR post‐induction by both imaging and flow cytometry is associated with improved overall survival.
Modelling of edge plasma dynamics with active wall boundary conditions
Authors: Umansky Maxim V. , Smirnov Roman D. , Elwasif Wael R. , Krasheninnikov Sergei I. 
Published: February 2022

AbstractA self‐consistent 2D model is presented for transport in boundary plasma and plasma‐facing material walls. Plasma dynamics in the domain is represented by a 2D collisional plasma fluid model in the edge‐plasma code UEDGE (Rognlien et al., J. Nucl. Mater.196–198(1992) 347), and transport of hydrogen and heat in the wall is represented by a system of reaction–diffusion equations in the 1D wall code FACE (Smirnov et al., Fusion Sci. Technol.71(2017) 75). To account for variation of parameters along the wall, in the coupled model multiple instances of the FACE code run in parallel. The coupled model provides a tool for investigating a range of dynamic plasma–material interactions phenomena in 2D. For demonstration of its capability, one application of particular interest is the role of active wall in tokamak strike point sweeping proposed for mitigation of divertor heat loads. In the present study, the coupled calculations are applied to investigation of the impact of heat and hydrogen transport in the material wall on the divertor plasma and target heat load during sweeping of the target strike point for parameters of a high‐power tokamak.
Inherent bioelectrical parameters of hundreds of thousands of single leukocytes based on impedance flow cytometry
Authors: Tan Huiwen , Wang Minruihong , Zhang Yi , Huang Xukun , Chen Deyong , Li Yueying , Wu Min‐Hsien , Wang Ke , Wang Junbo , Chen Jian 
Published: February 2022

AbstractAs label‐free biomarkers, bioelectrical properties of single cells have been widely used in hematology analyzers for 3‐part differential of leukocytes, in which, however, instrument dependent bioelectrical parameters (e.g., DC/AC impedance values) rather than inherent bioelectrical parameters (e.g., diameter Dc, specific membrane capacitance Csm and cytoplasmic conductivity σcy) were used, leading to poor comparisons among different instruments. In order to address this issue, this study collected inherent bioelectrical parameters from hundreds of thousands of white blood cells based on a home‐developed impedance flow cytometry with corresponding 3‐part differential of leukocytes realized. More specifically, leukocytes were separated into three major subtypes of granulocytes, monocytes and lymphocytes based on density gradient centrifugation. Then these separated cells were aspirated through a constriction‐microchannel based impedance flow cytometry where inherent bioelectrical parameters of Dc, Csm and σcy were quantified as 9.8 ± 0.7 μm, 2.06 ± 0.26 μF/cm2, and 0.34 ± 0.05 S/m for granulocytes (ncell = 134,829); 10.4 ± 1.0 μm, 2.45 ± 0.48 μF/cm2, and 0.42 ± 0.08 S/m for monocytes (ncell = 40,226); 8.0 ± 0.5 μm, 2.23 ± 0.34 μF/cm2, and 0.35 ± 0.08 S/m for lymphocytes (ncell = 129,193). Based on these inherent bioelectrical parameters, neural pattern recognition was conducted, producing a high “classification accuracy” of 93.5% in classifying these three subtypes of leukocytes. These results indicate that as inherent bioelectrical parameters, Dc, Csm, and σcy can be used to electrically phenotype white blood cells in a label‐free manner.
Current perspectives in Leber congenital amaurosis type 8 mouse modeling
Authors: Nahar Ankur , Cho Seo‐Hee 
Published: February 2022

AbstractMutations in the CRB1 (Crumbs homolog 1) cause rare retinal diseases like retinitis pigmentosa type 12 (RP12) and Leber congenital amaurosis type 8 (LCA8). RP12 results in progressively worsening peripheral vision, whereas LCA8 causes severe visual impairment at birth or in early life. While several mouse models have been proposed for RP12, few replicate the full spectrum of human LCA8 pathology, such as disorganized retinal layering, abnormal retinal thickening, pigmentary defects, hyperreflective lesions, and severely attenuated electroretinogram responses at birth. Six models have been proposed utilizing the Cre‐loxP system to delete candidate genes in specific retinal cell types and developmental stages. The model ablating Crb1 and its homolog Crb2 (using mRx‐Cre) from the beginning of the eye development is the most complete as it shows blindness during the eye‐opening stage, pigmentary defects in the RPE, ganglion cell layer heterotopia, disruption of retinal lamination, and acellular patches. LCA8 represents a unique type of retinal dystrophy among LCA subtypes, driven by dysfunctional retinal progenitor cells during eye development. In contrast, other LCA types and RP12 are caused by photoreceptor defects. Therefore, the most accurate LCA8‐like mouse model must target both alleles of the Crb1 and Crb2 genes in the optic vesicle or earlier.
Singing strategies are linked to perch use on foraging territories in heart‐nosed bats
Authors: Smarsh Grace C. , Long Ashley M. , Smotherman Michael 
Published: February 2022

AbstractAcoustic communication allows animals to coordinate and optimize resource utilization in space. Cardioderma cor, the heart‐nosed bat, is one of the few species of bats known to sing during nighttime foraging. Previous research found that heart‐nosed bats react aggressively to song playback, supporting the territorial defense hypothesis of singing in this species. We further investigated the territorial defense hypothesis from an ecological standpoint, which predicts that singing should be associated with exclusive areas containing a resource, by tracking 14 individuals nightly during the dry seasons in Tanzania. We quantified the singing behavior of individuals at all perches used throughout the night. Using home range analysis tools, we quantified overall use, night ranges and singing ranges, as well as areas used in early and later time periods at night. Males sang back and forth from small ( = 3.48 ± 2.71 ha), largely exclusive areas that overlapped with overall night ranges used for gleaning prey. Individuals varied in singing effort; however, all sang significantly more as night progressed. Subsequently, areas used earlier at night and overall use areas were both larger than singing areas. Individuals varied in singing strategies. Some males sang for long periods in particular trees and had smaller core areas, while others moved frequently among singing trees. The most prolific singers used more perches overall. Our results support the hypothesis that acoustic communication repertoires evolved in support of stable foraging territory advertisement and defense in some bats.
A hurricane alters the relationship between mangrove cover and marine subsidies
Authors: Peng Dan , Montelongo Denise C. , Wu Leslie , Armitage Anna R. , Kominoski John S. , Pennings Steven C. 
Published: February 2022

AbstractAs global change alters the composition and productivity of ecosystems, the importance of subsidies from one habitat to another may change. We experimentally manipulated black mangrove (Avicennia germinans) cover in 10 large plots and over a 5‐year period (2014–2019) quantifying the effects of mangrove cover on subsidies of floating organic material (wrack) into coastal wetlands. As mangrove cover increased from 0% to 100%, wrack cover and thickness decreased by ~60%, the distance that wrack penetrated into the plots decreased by ~70%, and the percentage of the wrack trapped in the first 6 m of the plot tripled. These patterns observed during 4 “normal” years disappeared in a fifth year following Hurricane Harvey (2017), when large quantities of wrack were pushed far into the interior of all the plots, regardless of mangrove cover. Prior to the storm, the abundance of animals collected in grab samples increased with wrack biomass. Wrack composition did not affect animal abundance or composition. Experimental outplants of two types of wrack (red algae and seagrass) revealed that animal abundance and species composition varied between the fringe and interior of the plots, and between microhabitats dominated by salt marsh versus mangrove vegetation. The importance of wrack to overall carbon stocks varied as a function of autochthonous productivity: wrack inputs (per m2) based on survey data were greater than aboveground plant biomass in the plots (42 × 24 m) dominated by salt‐marsh vegetation, but decreased to 5% of the total aboveground biomass in plots dominated by mangroves. Our results illustrate that increasing mangrove cover decreases the relative importance of marine subsidies into the intertidal at the plot level, but concentrates subsidies at the front edge of the mangrove stand. Storms, however, may temporarily override mangrove attenuation of wrack inputs. Our results highlight the importance of understanding how changes in plant species composition due to global change will impact marine subsidies and exchanges among ecosystems, and foster a broader understanding of the functional interdependence of adjacent habitats within coastal ecosystems.