bluuebunny/crossref_metadata_2025_split huggingface dataset:
3D Modeling of craniofacial ontogeny and sexual dimorphism in children
Authors: Smith Olivia A. M. , Nashed Youssef S. G. , Duncan Christian , Pears Nick , Profico Antonio , O'Higgins Paul 
Published: December 2020

AbstractBackgroundThe range of normal variation of growth and development of the craniofacial region is of direct clinical interest but incompletely understood. Here we develop a statistical model of craniofacial growth and development to compare craniofacial ontogeny between age groups and sexes and pilot an approach to modeling that is relatively straightforward to apply in the context of clinical research and assessment.MethodsThe sample comprises head surface meshes captured using a 3dMD five‐camera system from 65 males and 47 females (range 3–20 years) from the Headspace project, Liverpool, UK. The surface meshes were parameterized using 16 anatomical landmarks and 59 semilandmarks on curves and surfaces. Modes and degrees of growth and development were assessed and compared among ages and sexes using Procrustes based geometric morphometric methods.ResultsRegression analyses indicate that 3–10 year olds undergo greater changes than 11–20 year olds and that craniofacial growth and development differs between these age groups. The analyses indicate that males extend growth allometrically into larger size ranges, contributing substantially to adult dimorphism. Comparisons of ontogenetic trajectories between sexes find no significant differences, yet when hypermorphosis is accounted for in the older age group there is a significant residual sexual dimorphism.ConclusionsThe study adds to knowledge of how adult craniofacial form and sexual dimorphism develop. It was carried out using readily available software which facilitates replication of this work in diverse populations to underpin clinical assessment of deformity and the outcomes of corrective interventions.
Some effects of praise during the escape condition of the functional analysis
Authors: Weyman Jennifer R. , Bloom Sarah E. , Campos Claudia , Garcia Anna R. 
Published: December 2020

AbstractMany researchers provide praise for complying with demands during the escape condition of the functional analysis (FA). However, praise may function as a reinforcer for some individuals which may reduce the aversiveness of task presentation or increase behavior that competes with problem behavior (e.g., compliance with demands). In general, this may result in lower or less stable levels of problem behavior and decrease the efficiency of the FA. Thus, the purpose of the current study was to evaluate some effects of praise on the rate of problem behavior and compliance during the escape condition of the FA in children diagnosed with autism spectrum disorder. We found that praise did not affect the rate of problem behavior but did increase compliance in three of five subjects. The results of the study and implications for the assessment of problem behavior are discussed.
Balancing glucose and oxygen uptake rates to enable high amorpha‐4,11‐diene production in Escherichia coli via the methylerythritol phosphate pathway
Authors: Patil Vikas , Santos Christine N. S. , Ajikumar Parayil K. , Sarria Stephen , Takors Ralf 
Published: December 2020

AbstractAmorpha‐4,11‐diene (AMD4,11) is a precursor to artemisinin, a potent antimalarial drug that is traditionally extracted from the shrubs of Artemisia annua. Despite significant prior efforts to produce artemisinin and its precursors through biotechnology, there remains a dire need for more efficient biosynthetic routes for its production. Here, we describe the optimization of key process conditions for an Escherichia coli strain producing AMD4,11 via the native methylerythritol phosphate (MEP) pathway. By studying the interplay between glucose uptake rates and oxygen demand, we were able to identify optimal conditions for increasing carbon flux through the MEP pathway by manipulating the availability of NADPH required for terpenoid production. Installation of an optimal qO2/qglucose led to a 6.7‐fold increase in product titers and a 6.5‐fold increase in carbon yield.
The influence of social support in the rehabilitation of acid attack victims: A qualitative inquiry
Authors: Mittal Shalini , Singh Tushar , Verma Sunil K. 
Published: December 2020

AbstractAcid attack refers to the act of hurling acid or any other corrosive substance on a person with the intention of injuring, harming, maiming, disfiguring or killing. Despite the fact that the number of acid attack cases in India have been rising, a separate section for acid attacks was not included in the Indian Penal Code until the year 2013. Even after the inclusion of this crime in the Indian Penal Code, the discourse about the crime and the condition of victims in the aftermath of the crime remains largely incomplete due to the selective focus on the medical treatment of the victims and punishment for the offenders. Therefore, the present paper attempts to explore social isolation as a consequence of the crime and the role of social support in the psychological rehabilitation of acid attack victims. The present research involved narrative interviews of a homogenous purposive sample of 30 female acid attack victims which were analysed using thematic content analysis. The findings suggest that victims of acid attack experience non‐social support in the form of social isolation social exclusion as a consequence of acid attack in addition to the lack of informational and instrumental social support. Results also suggest that social support plays a crucial role in the coping process of the acid attack victims. The insights of the present research will help in improving the understanding of the psychosocial correlates of acid attack victims and the recovery process of the acid attack victims.
Spin State Tunes Oxygen Atom Transfer towards FeIVO Formation in FeII Complexes
Authors: Castillo Carmen E. , Gamba Ilaria , Vicens Laia , Clémancey Martin , Latour Jean‐Marc , Costas Miquel , Basallote Manuel G. 
Published: December 2020

AbstractOxoiron(IV) complexes bearing tetradentate ligands have been extensively studied as models for the active oxidants in non‐heme iron‐dependent enzymes. These species are commonly generated by oxidation of their ferrous precursors. The mechanisms of these reactions have seldom been investigated. In this work, the reaction kinetics of complexes [FeII(CH3CN)2L](SbF6)2 ([1](SbF6)2 and [2](SbF6)2) and [FeII(CF3SO3)2L] ([1](OTf)2 and [2](OTf)2 (1, L=Me,HPytacn; 2, L=nP,HPytacn; R,R′Pytacn=1‐[(6‐R′‐2‐pyridyl)methyl]‐4,7‐ di‐R‐1,4,7‐triazacyclononane) with Bu4NIO4 to form the corresponding [FeIV(O)(CH3CN)L]2+ (3, L=Me,HPytacn; 4, L=nP,HPytacn) species was studied in acetonitrile/acetone at low temperatures. The reactions occur in a single kinetic step with activation parameters independent of the nature of the anion and similar to those obtained for the substitution reaction with Cl− as entering ligand, which indicates that formation of [FeIV(O)(CH3CN)L]2+ is kinetically controlled by substitution in the starting complex to form [FeII(IO4)(CH3CN)L]+ intermediates that are converted rapidly to oxo complexes 3 and 4. The kinetics of the reaction is strongly dependent on the spin state of the starting complex. A detailed analysis of the magnetic susceptibility and kinetic data for the triflate complexes reveals that the experimental values of the activation parameters for both complexes are the result of partial compensation of the contributions from the thermodynamic parameters for the spin‐crossover equilibrium and the activation parameters for substitution. The observation of these opposite and compensating effects by modifying the steric hindrance at the ligand illustrates so far unconsidered factors governing the mechanism of oxygen atom transfer leading to high‐valent iron oxo species.
Cellular Fucosylation Inhibitors Based on Fluorinated Fucose‐1‐phosphates**
Authors: Pijnenborg Johan F. A. , Visser Eline A. , Noga Marek , Rossing Emiel , Veizaj Raisa , Lefeber Dirk J. , Büll Christian , Boltje Thomas J. 
Published: December 2020

AbstractFucosylation of glycans impacts a myriad of physiological and pathological processes. Inhibition of fucose expression emerges as a potential therapeutic avenue for example in cancer, inflammation, and infection. In this study, we found that protected 2‐fluorofucose 1‐phosphate efficiently inhibits cellular fucosylation with a four to seven times higher potency than known inhibitor 2FF, independently of the anomeric stereochemistry. Nucleotide sugar analysis revealed that both the α‐ and β‐GDP‐2FF anomers are formed inside the cell. In conclusion, we developed A2FF1P and B2FF1P as potent new tools for studying the role of fucosylation in health and disease and they are potential therapeutic candidates.
2D Ising Model for Adsorption‐induced Enantiopurification of Racemates
Authors: Dutta Soham , Yun Yongju , Widom Michael , Gellman Andrew J. 
Published: December 2020

AbstractMechanisms for the spontaneous transformation of achiral chemical systems into states of enantiomeric purity have important ramifications in modern pharmacology and potential relevance to the origins of homochirality in life on Earth. Such mechanisms for enantiopurification are needed for production of chiral pharmaceuticals and other bioactive compounds. Previously proposed chemical mechanisms leading from achiral systems to near homochirality are initiated by a symmetry‐breaking step resulting in a minor excess of one enantiomer via statistical fluctuations in enantiomer concentrations. Subsequent irreversible processes then amplify the majority enantiomer concentration while simultaneously suppressing minority enantiomer production. Herein, equilibrium adsorption of amino acid enantiomer mixtures onto chiral and achiral surfaces reveals amplification of surface enantiomeric excess relative to the gas phase; i. e. enantiopurification of chiral adsorbates by adsorption. This adsorption‐induced amplification of enantiomeric excess is shown to be well‐describe by the 2D Ising model. More importantly, the 2D‐Ising model predicts formation of homochiral monolayers from adsorption of racemic mixtures or prochiral molecules on achiral surfaces; i. e. enantiopurification with no apparent chiral driving force.
Pro‐inflammatory dopamine‐2 receptor‐specific T cells in paediatric movement and psychiatric disorders
Authors: Pilli Deepti , Zou Alicia , Dawes Ruebena , Lopez Joseph A , Tea Fiona , Liyanage Ganesha , Lee Fiona XZ , Merheb Vera , Houston Samuel D , Pillay Aleha , Jones Hannah F , Ramanathan Sudarshini , Mohammad Shekeeb , Kelleher Anthony D , Alexander Stephen I , Dale Russell C , Brilot Fabienne 
Published: December 2020

AbstractObjectivesA dysregulated inflammatory response against the dopamine‐2 receptor (D2R) has been implicated in movement and psychiatric disorders. D2R antibodies were previously reported in a subset of these patients; however, the role of T cells in these disorders remains unknown. Our objective was to identify and characterise pro‐inflammatory D2R‐specific T cells in movement and psychiatric disorders.MethodsBlood from paediatric patients with movement and psychiatric disorders of suspected autoimmune and neurodevelopmental aetiology (n = 24) and controls (n = 16) was cultured in vitro with a human D2R peptide library, and D2R‐specific T cells were identified by flow cytometric quantification of CD4+CD25+CD134+ T cells. Cytokine secretion was analysed using a cytometric bead array and ELISA. HLA genotypes were examined in D2R‐specific T‐cell‐positive patients. D2R antibody seropositivity was determined using a flow cytometry live cell‐based assay.ResultsThree immunodominant regions of D2R, amino acid (aa)121–131, aa171–181 and aa396–416, specifically activated CD4+ T cells in 8/24 patients. Peptides corresponding to these regions were predicted to bind with high affinity to the HLA of the eight positive patients and had also elicited the secretion of pro‐inflammatory cytokines IL‐2, IFN‐ γ, TNF, IL‐6, IL‐17A and IL‐17F. All eight patients were seronegative for D2R antibodies.ConclusionAutoreactive D2R‐specific T cells and a pro‐inflammatory Th1 and Th17 cytokine profile characterise a subset of paediatric patients with movement and psychiatric disorders, further underpinning the theory of immune dysregulation in these disorders. These findings offer new perspectives into the neuroinflammatory mechanisms of movement and psychiatric disorders and can influence patient diagnosis and treatment.
Development of a 43 color panel for the characterization of conventional and unconventional T‐cell subsets, B cells, NK cells, monocytes, dendritic cells, and innate lymphoid cells using spectral flow cytometry
Authors: Sahir Fairooz , Mateo Jericha Miles , Steinhoff Martin , Siveen Kodappully Sivaraman 
Published: December 2020

AbstractAlthough many flow cytometers can analyze 30–50 parameters, it is still challenging to develop a 40+ color panel for the phenotyping of immune cells using fluorochrome conjugated antibodies due to limitations in the availability of spectrally unique fluorochromes that can be excited by the commonly used laser lines (UV, Violet, Blue, Green/Yellow‐green, and Red). Spectral flowcytometry is capable of differentiating fluorochromes with significant overlap in the emission spectra, enabling the use of spectrally similar fluorochrome pairs such as Brilliant Blue 515 and FITC in a single panel. We have developed a 43 color panel to characterize most of the immune subsets within the peripheral immune system, including conventional T cells, unconventional T cells such as invariant natural killer T cells (iNKT), Gamma delta (γδ) T‐cell subsets (TCR Vδ2, TCR Vγ9) and mucosal‐associated invariant T cells (MAIT), B‐cell subsets, natural killer (NK) cells, plasmacytoid dendritic cells, dendritic cell subsets, hematopoietic progenitor cells, basophils, and innate lymphoid cell (ILC) subsets (CD117, CRTH2). The panel includes surface markers to analyze activation (CD38, HLA‐DR, ICOS/CD278), differentiation (CD45RA, CD27, CD28, CD57), expression of cytokine and chemokine receptors (CD25, CD127, CCR10, CCR6, CCR4, CXCR3, CXCR5, CRTH2/CD294), and co‐inhibitory molecules and exhaustion (PD‐1, CD223/LAG‐3, TIGIT), which enables a deep characterization of PBMCs from peripheral blood. Cells were analyzed on a 5‐laser Cytek Aurora and data analysis was done using FlowJo. This panel can help to make a thorough interpretation of immune system, specifically when specimen quantity is low. The panel has not been completely optimized but would rather act as a guide toward the development of a workflow for optimized multicolor immunophenotyping panel.
Early use of remote dielectric sensing after hospitalization to reduce heart failure readmissions
Authors: Lala Anuradha , Barghash Maya H. , Giustino Gennaro , Alvarez‐Garcia Jesus , Konje Swiri , Parikh Aditya , Ullman Jennifer , Keith Brendan , Donehey John , Mitter Sumeet S. , Trivieri Maria Giovanna , Contreras Johanna P. , Burkhoff Daniel , Moss Noah , Mancini Donna M. , Pinney Sean P. 
Published: December 2020

AbstractAimsReadmission after hospitalization for acute decompensated heart failure (HF) remains a major public health problem. Use of remote dielectric sensing (ReDS) to measure lung water volume allows for an objective assessment of volume status and may guide medical optimization for HF. We hypothesized that the use of ReDS would lower 30 day readmission in patients referred to rapid follow‐up (RFU) clinic after HF discharge.Methods and resultsWe conducted a retrospective analysis of the use of ReDS for patients scheduled for RFU within 10 days post‐discharge for HF at Mount Sinai Hospital between 1 July 2017 and 31 July 2018. Diuretics were adjusted using a pre‐specified algorithm. The association between use of ReDS and 30 day readmission was evaluated. A total of 220 patients were included. Mean age was 62.9 ± 14.7 years, and 36.4% were female. ReDS was performed in 80 (36.4%) and led to medication adjustment in 52 (65%). Use of ReDS was associated with a lower rate of 30 day cardiovascular readmission [2.6% vs. 11.8%, hazard ratio (HR): 0.21; 95% confidence interval (CI): 0.05–0.89; P = 0.04] and a trend towards lower all‐cause readmission (6.5% vs. 14.1%, HR: 0.43; 95% CI: 0.16–1.15; P = 0.09) as compared with patients without a ReDS assessment.ConclusionsReDS‐guided HF therapy during RFU after HF hospitalization may be associated with lower risk of 30 day readmission.
An Overview of Flexible Electrode Materials/Substrates for Flexible Electrochemical Energy Storage/Conversion Devices
Authors: Shang Kezheng , Gao Jiyuan , Yin Ximeng , Ding Yichun , Wen Zhenhai 
Published: December 2020

AbstractThe rise of portable and wearable electronics has largely stimulated the development of flexible energy storage and conversion devices. As one of the essential parts, the electrode plays critical role in determining the device performance, which required to be highly flexible, light‐weight, and conformable for flexible and wearable applications. However, it remains a formidable challenge in the design of appropriate flexible electrodes. Thus, considerable effort has been making to develop various flexible materials/substrates to fabricate flexible energy devices. Here, this review aims to provide a comprehensive survey on the recently developed free‐standing and flexible electrode materials/substrates for flexible electrochemical energy storage devices, which are categorized into four different types including metal‐based, carbon‐based, polymer‐based, and micro‐patterned flexible electrodes. The specific characteristics, fabrication methods, properties, and pros and cons of each type of materials are thoroughly analysed. Furthermore, challenges and future directions for designing flexible electrode materials are also discussed.
Computational and Experimental Insights into Asymmetric Rh‐Catalyzed Hydrocarboxylation with CO2
Authors: Pavlovic Ljiljana , Pettersen Martin , Gevorgyan Ashot , Vaitla Janakiram , Bayer Annette , Hopmann Kathrin H. 
Published: December 2020

AbstractThe asymmetric Rh‐catalyzed hydrocarboxylation of α,β‐unsaturated carbonyl compounds was originally developed by Mikami and co‐workers but gives only moderate enantiomeric excesses. In order to understand the factors controlling the enantioselectivity and to propose novel ligands for this reaction, we have used computational and experimental methods to study the Rh‐catalyzed hydrocarboxylation with different bidentate ligands. The analysis of the C−CO2 bond formation transition states with DFT methods shows a preference for outer‐sphere CO2 insertion, where CO2 can undergo a backside or frontside reaction with the nucleophile. The two ligands that prefer a frontside reaction, StackPhos and tBu‐BOX, display an intriguing stacking interaction between CO2 and an N‐heterocyclic ring of the ligand (imidazole or oxazoline). Our experimental results support the computationally predicted low enantiomeric excesses and highlight the difficulty in developing a highly selective version of this reaction.
Development of Pen‐type Portable Electrochemical Sensor Based on Au‐W Bimetallic Nanoparticles Decorated Graphene‐chitosan Nanocomposite Film for the Detection of Nitrite in Water, Milk and Fruit Juices
Authors: Lavanya Akkaraboyina Lakshmi , Kumari K. Gowri Bala , Prasad K. R. S. , Brahman Pradeep Kumar 
Published: December 2020

AbstractThe development and fabrication of a simple, portable, and sensitive detection tool to precisely monitor nitrite level is of growing importance in electrochemistry research, given the strong interest in the protection of drinking water quality, treatment of wastewater, food production, and control of remediation processes. This work describes the fabrication of a simple, cost‐effective, pen‐type electrochemical sensor based on bimetallic gold and tungsten nanoparticles electrochemically decorated on graphene‐chitosan modified pencil graphite electrode (PGE) for the trace detection of nitrite in real samples. The prepared nanocomposite was characterized using XRD, SEM, and EDS. The electrochemical behavior of the sensor was evaluated by cyclic voltammetry (CV) and impedance electrochemical spectroscopy (EIS). Results revealed that the proposed sensor displayed excellent electrocatalytic activity towards electro‐oxidation of nitrite with an irreversible redox reaction. The AuNPs‐WNPs@Gr‐Chi/PGE sensor exhibited excellent analytical performance with a wide linear range from 10 to 250 μM towards nitrite. The LOD and LOQ were calculated to be 0.12 μM and 0.44 μM, respectively. The designed electrochemical sensor was successfully applied for the detection of nitrite in water, milk, and natural fruit juice samples.
Determination with a Genetic Algorithm of Reactant Coverages on H2/H2O Electrodes Based on Electrochemical Kinetics Under Reversible SOFC/EC Operation▴
Authors: Koga Y. , Hasegawa K. , Lee H. , Kameda K. , Iida Y. , Ihara M. 
Published: December 2020

AbstractA scheme to quantify surface coverages of reactants at triple phase boundary (TPB) by electrochemical measurements was constructed to evaluate the electrode performance of solid oxide fuel cells and electrolysis cells (SOFC/EC). The developments of electrode requires that the intrinsic properties of materials separated from the effect of geometric structure of the electrode. The proposed reaction model at TPB of H2/H2O electrodes is composed of competitive adsorptions and Langmure‐type surface reactions under the relationship between oxygen activity (aO) and the electrode potential. To determine the reaction constant (ka) and four adsorption equilibrium constants at TPB (KH, KH2O, KO and KOH), a mashine learning approach with a genetic algorithm as an optimization method and the experimental data of reversible SOFC/ECs with different H2/H2O partial pressures as the learning data was developed. As a result, even though all experimental curves of the current density vs. aO in SOFC operation were fitted by numerous sets of the five constants, the coverages under different conditions could be uniquely determined. Results suggest that TPB at 900 °C was almost vacant with a small amount of H2O in SOEC operation, and was not vacant and the OH coverage increased with increasing aO in SOFC operation.