bluuebunny/crossref_metadata_2025_split huggingface dataset:
Structural insights into suppressor of cytokine signaling 1 protein‐ identification of new leads for type 2 diabetes mellitus
Authors: Dumpati Ramakrishna , Ramatenki Vishwanath , Vadija Rajender , Vellanki Santhiprada , Vuruputuri Uma 
Published: April 2018

AbstractThe study considers the Suppressor of cytokine signaling 1 (SOCS1) protein as a novel Type 2 diabetes mellitus (T2DM) drug target. T2DM in human beings is also triggered by the over expression of SOCS proteins. The SOCS1 acts as a ubiquitin ligase (E3), degrades Insulin Receptor Substrate 1 and 2 (IRS1 and IRS2) proteins, and causes insulin resistance. Therefore, the structure of the SOCS1 protein was evaluated using homology‐modeling and molecular dynamics methods and validated using standard computational protocols. The Protein‐Protein docking study of SOCS1 with its natural substrates, IRS1 and IRS2, and subsequent solvent accessible surface area analysis gave insight into the binding region of the SOCS1 protein. The in silico active site prediction tools highlight the residues Val155 to Ile211 in SOCS1 being implicated in the ubiquitin mediated protein degradation of the proteins IRS1 and IRS2. Virtual screening in the active site region, using large structural databases, results in selective lead structures with 3‐Pyridinol, Xanthine, and Alanine moieties as Pharmacophore. The virtual screening study shows that the residues Glu149, Gly187, Arg188, Leu191, and Ser205 of the SOCS1 are important for binding. The docking study with current anti‐diabetic therapeutics shows that the drugs Glibenclamide and Glyclopyramide have a partial affinity towards SOCS1. The predicted ADMET and IC50 properties for the identified ligands are within the acceptable range with drug‐like properties. The structural data of SOCS1, its active site, and the identified lead structures are expedient in the development of new T2DM therapeutics.
Epitope imprinting of iron binding protein of Neisseria meningitidis bacteria through multiple monomers imprinting approach
Authors: Gupta Neha , Singh Roop Shikha , Shah Kavita , Prasad Rajniti , Singh Meenakshi 
Published: April 2018

AbstractEpitope imprinting is a promising technique for fabrication of novel diagnostic tools. In this study, an epitope imprinted methodology for recognition of target epitope sequence as well as targeted protein infused by bacterial infection in blood samples of patients suffering from brain fever is developed. Template sequence chosen is a ferric iron binding fbp A protein present in Neisseria meningitidis bacteria. To orient the imprinting template peptide sequence on gold surface of electrochemical quartz crystal microbalance (EQCM), thiol chemistry was utilized to form the self‐assembled monolayer on EQCM electrode. Here, synergistic effects induced by various noncovalent interactions extended by multiple monomers (3‐sulfopropyl methacrylate potassium‐salt and benzyl methacrylate) were used in fabricating the imprinting polymeric matrix with additional firmness provided by N,N‐methylene‐bis‐acrylamide as cross‐linker and azo‐isobutyronitrile as initiator. Extraction of template molecule was carried out with phosphate buffer solution. After extraction of epitope molecules from the polymeric film, epitope molecularly imprinted polymeric films were fabricated on EQCM electrode surface. Nonimprinted polymers were also synthesized in the similar manner without epitope molecule. Detection limit of epitope molecularly imprinted polymers and imprinting factor (epitope molecularly imprinted polymers/nonimprinted polymers) was calculated 1.39 ng mL−1 and 12.27 respectively showing high binding capacity and specific recognition behavior toward template molecule. Simplicity of present method would put forward a fast, facile, cost‐effective diagnostic tool for mass health care.
3D phase contrast MRI in models of human airways: Validation of computational fluid dynamics simulations of steady inspiratory flow
Authors: Collier Guilhem J. , Kim Minsuok , Chung Yongmann , Wild Jim M. 
Published: April 2018

BackgroundKnowledge of airflow patterns in the large airways is of interest in obstructive airways disease and in the development of inhaled therapies. Computational fluid dynamics (CFD) simulations are used to study airflow in realistic airway models but usually need experimental validation.PurposeTo develop MRI‐based methods to study airway flow in realistic 3D‐printed models.Study TypeCase control.PhantomTwo 3D‐printed lung models.Field Strength/Sequence1.5–3T, flow MRI.AssessmentTwo human airway models, respectively including and excluding the oral cavity and upper airways derived from MR and CT imaging, were 3D‐printed. 3D flow MRI was performed at different flow conditions corresponding to slow and steady airflow inhalation rates. Water was used as the working fluid to mimic airflow. Dynamic acquisition of 1D velocity profiles was also performed at different locations in the trachea to observe variability during nonsteady conditions.Statistical TestsLinear regression analysis to compare both flow velocity fields and local flow rates from CFD simulations and experimental measurement with flow MRI.ResultsA good agreement was obtained between 3D velocity maps measured with flow MRI and predicted by CFD simulations, with linear regression R‐squared values ranging from 0.39 to 0.94 when performing a pixel‐by‐pixel comparison of each velocity component. The flow distribution inside the lung models was also similar, with average slope and R‐squared values of 0.96 and 0.99, respectively, when comparing local flow rates assessed at different branching locations. In the model including the upper airways, a turbulent laryngeal jet flow was observed with both methods and affected remarkably the velocity profiles in the trachea.Data ConclusionWe propose flow MRI using water as a surrogate fluid to air, as a validation tool for CFD simulations of airflow in geometrically realistic models of the human airways.Level of Evidence: 3Technical Efficacy: Stage 2J. Magn. Reson. Imaging 2018;47:1400–1409.
Stress‐Generative Effects of Posttraumatic Stress Disorder: Transactional Associations Between Posttraumatic Stress Disorder and Stressful Life Events in a Longitudinal Sample
Authors: Maniates Hannah , Stoop Tawni B. , Miller Mark W. , Halberstadt Lisa , Wolf Erika J. 
Published: April 2018

AbstractLongitudinal studies have demonstrated transactional associations between psychopathology and stressful life events (SLEs), such that psychopathology predicts the occurrence of new SLEs, and SLEs in turn predict increasing symptom severity. The association between posttraumatic stress disorder (PTSD), specifically, and stress generation remains unclear. This study used temporally sequenced data from 116 veterans (87.9% male) to examine whether PTSD symptoms predicted new onset SLEs, and if these SLEs were associated with subsequent PTSD severity. The SLEs were objectively rated, using a clinician‐administered interview and consensus‐rating approach, to assess the severity, frequency, and personal dependence (i.e., if the event was due to factors that were independent of or dependent on the individual) of new‐onset SLEs. A series of mediation models were tested, and results provided evidence for moderated mediation whereby baseline PTSD severity robustly predicted personally dependent SLEs, B = 0.03, p = .006, and dependent SLEs predicted increases in follow‐up PTSD symptom severity, B = −0.04, p = .003, among participants with relatively lower baseline PTSD severity. After we controlled for baseline PTSD severity, personality traits marked by low constraint (i.e., high impulsivity) were also associated with an increased number of dependent SLEs. Our results provide evidence for a stress‐generative role of PTSD and highlight the importance of developing interventions aimed at reducing the occurrence of personally dependent stressors.
Numerical prediction of gas migration properties in Callovo‐Oxfordian (COx) argillite using morpho‐mathematical operations
Authors: Zhang Xiang , Duveau Gilles , Colliat Jean‐Baptiste 
Published: April 2018

SummaryThe feasibility study of long‐term radioactive waste storage in low‐permeable rocks has been performed by considering various damage and failure scenarios. This study aims at the numerical investigation of gas (mainly produced by corrosion of metallic parts) migration properties through the low‐permeable formation of Callovo‐Oxfordian argillite. Traditional methods, based on macroscopic approaches or homogeneous transport properties, are inappropriate to analyze this issue at the mesoscopic/microscopic scale. In this study, realistic porous space morphologies are constructed through union of excursions of random fields considering different experimental pore size distributions. Afterwards, purely geometric analysis of pore space is conducted by morpho‐mathematical operations for the purpose of the extraction of preferential gas transport pathways and the prediction of the gas entry pressure, the gas breakthrough pressure, and the following imbibition process.
Steady‐state diffusion approximations for discrete‐time queue in hospital inpatient flow management
Authors: Feng Jiekun , Shi Pengyi 
Published: April 2018

AbstractIn this article, we analyze a discrete‐time queue that is motivated from studying hospital inpatient flow management, where the customer count process captures the midnight inpatient census. The stationary distribution of the customer count has no explicit form and is difficult to compute in certain parameter regimes. Using the Stein's method framework, we identify a continuous random variable to approximate the steady‐state customer count. The continuous random variable corresponds to the stationary distribution of a diffusion process with state‐dependent diffusion coefficients. We characterize the error bounds of this approximation under a variety of system load conditions—from lightly loaded to heavily loaded. We also identify the critical role that the service rate plays in the convergence rate of the error bounds. We perform extensive numerical experiments to support the theoretical findings and to demonstrate the approximation quality. In particular, we show that our approximation performs better than those based on constant diffusion coefficients when the number of servers is small, which is relevant to decision making in a single hospital ward.
Anion effect on the conformational equilibrium of sulfamide and its N,N′‐diindolyl derivative: Insights on anion transportation
Authors: Mendonça João G.P. , Fernandes Sergio A. , Cormanich Rodrigo A. , Freitas Matheus P. 
Published: April 2018

AbstractThe relatively high acidity of the sulfamide hydrogens suggests a potential for the development of sulfamide derivatives as novel anion receptors. The interactions of sulfamide with F−, Cl−, CH3COO−, and H2PO4− anions were spectroscopically (1H and 19F NMR) and theoretically (density functional theory) analyzed, and the complexation through hydrogen bonds was confirmed by changes in the NMR signals and theoretical calculations. The replacement of 2 sulfamide hydrogens with indolyl groups yields the N,N′‐diindolylsulfamide (DIS, N‐1H‐indol‐4‐yl‐N′‐1H‐indol‐7‐ylsulfuric diamide), whose bond rotations allow the interaction of 4 H(N) atoms with anions. The conformational preferences of DIS change upon the presence of anions, but they are practically insensitive to the anion type. According to the quantum theory of atoms in molecules, natural bond orbital analysis, and NMR chemical shifts, as well as to a thermodynamic cycle, the complex with fluoride is the most stable, followed by the oxoanion‐derived models.
Training cognitive control to reduce emotional vulnerability in breast cancer
Authors: Swainston Jessica , Derakshan Nazanin 
Published: April 2018

AbstractObjectivesBreast cancer enhances anxiety and depressive vulnerability, profoundly impairing the quality of life in survivors. Hinging on recent research that training attentional control can reduce emotional vulnerability, we assess how improving cognitive function could reduce emotional vulnerability in female survivors of breast cancer.MethodsParticipants took part in a course of adaptive dual n‐back cognitive training (Training Group) or a non‐adaptive active control group (Active Control) for 12 days across a 2‐week period. Transfer‐related training gains were assessed immediately after the intervention, at a shorter 1‐month follow‐up and at a longer follow‐up time of approximately 15 months post intervention, to assess sustainability of training effects.ResultsAdaptive cognitive training reduced anxiety and rumination with effects evident at shorter and longer term follow‐up assessments.ConclusionsOur results are among the first to suggest that adaptive cognitive training can reduce emotional vulnerability in breast cancer, with the potential to enhance quality of life in survivorship. Our findings have profound implications for designing interventions targeting cognitive function in populations who have suffered from cancer.
Dendrites of the dorsal and ventral hippocampal CA1 pyramidal neurons of singly housed female rats exhibit lamina‐specific growths and retractions during adolescence that are responsive to pair housing
Authors: Chen Yi‐Wen , Akad Ada , Aderogba Ruka , Chowdhury Tara G. , Aoki Chiye 
Published: April 2018

AbstractAdolescence is accompanied by increased vulnerability to psychiatric illnesses, including anxiety, depression, schizophrenia, and eating disorders. The hippocampus is important for regulating emotional state through its ventral compartment and spatial cognition through its dorsal compartment. Previous animal studies have examined hippocampal development at stages before, after or at single time points during adolescence. However, only one study has investigated morphological changes at multiple time points during adolescence, and no study has yet compared developmental changes of dorsal versus ventral hippocampi. We analyzed the dorsal and ventral hippocampi of rats to determine the developmental trajectory of Golgi‐stained hippocampal CA1 neurons by sampling at five time points, ranging from postnatal day (P) 35 (puberty) to 55 (end of adolescence). We show that the dorsal hippocampus undergoes transient dendritic retractions in stratum radiatum (SR), while the ventral hippocampus undergoes transient dendritic growths in SR. During adulthood, stress and hormonal fluctuations have been shown to alter the physiology and morphology of hippocampal neurons, but studies of the impact of these factors upon adolescent hippocampi are scarce. In addition, we show that female–female pair housing from P 36–44 significantly increases branching in the dorsal SR and reduces branching in the ventral SR. Taken together with data on spine density, these results indicate that pyramidal cells in the dorsal and ventral CA1 of female adolescents are remodeled differently following single housing. Social housing during adolescence elicits pathway‐specific changes in the hippocampus that may underlie behavioral benefits, including stability of emotion regulation and superior cognition.
Alternative shaper: a model for automatic design generation
Authors: Santos Filipe , Kwiecinski Krystian , de Almeida Ana , Eloy Sara , Taborda Bruno 
Published: April 2018

AbstractThis paper discusses the formalization of Alternative Shaper, a Spatial Grammar supplemented with procedural knowledge for supporting design generation. The nondeterministic process style perspective supports an exploratory and flexible specification of designs and the use of predicates relating shapes allow the confirmation of shape spatial restrictions on design processes. Although simple at this stage, Alternative Shaper actually offers interesting potentialities on design generation that may be improved soon with convenient abstractions.
Inequalities in Implementation and Different Outcomes During the Growth of Laparoscopic Colorectal Cancer Surgery in England: A National Population‐Based Study from 2002 to 2012
Authors: Byrne B. E. , Vincent C. A. , Faiz O. D. 
Published: April 2018

AbstractAimLaparoscopic colorectal cancer surgery has developed from unproven technique to mainstay of treatment. This study examined the application and relative outcomes of laparoscopic and open colorectal cancer surgery over time, as laparoscopic uptake and experience have grown.MethodsAdults undergoing elective laparoscopic and open colorectal cancer surgery in the English NHS during 2002–2012 were included. Age, sex, Charlson Comorbidity Index and Index of Multiple Deprivation were compared over time. Post‐operative 30‐day mortality, length of stay, failure to rescue reoperation and the associated mortality rate were examined.ResultsLaparoscopy rates rose from 1.1 to 50.8%. Patients undergoing laparoscopic surgery had lower comorbidity by 0.24 points (95% confidence intervals (CI) 0.20–0.27) and lower socioeconomic deprivation by 0.16 deciles (95% CI 0.12–0.20) than those having open procedures. Overall mortality fell by 48.0% from 2002–2003 to 2011–2002 and was 37.8% lower after laparoscopic surgery. Length of stay and mortality after surgical re‐intervention also fell. However, re‐intervention rates were higher after laparoscopic procedures by 7.8% (95% CI 0.9–15.2%).ConclusionsThere was clear and persistent inequality in the application of laparoscopic colorectal cancer surgery during this study. Further work must explore and remedy inequalities to maximise patient benefit. Higher re‐intervention rates after laparoscopy are unexplained and differ from randomized controlled trials. This may reflect differences in surgeons and practice between research and usual care settings and should be further investigated.
Formation of the Fe-Containing Intermetallic Compounds during Solidification of Al-5Mg-2Si-0.7Mn-1.1Fe Alloy
Authors: Que Zhongping , Wang Yun , Fan Zhongyun 
Published: April 2018

Abstract
Iron (Fe) is the most common and the most detrimental impurity element in Al alloys due to the formation of Fe-containing intermetallic compounds (IMCs), which are harmful to mechanical performance of the Al-alloy components. In this paper we investigate the formation of Fe-containing IMCs during solidification of an Al-5Mg-2Si-0.7Mn-1.1Fe alloy under varied solidification conditions. We found that the primary Fe-containing intermetallic compound (P-IMC) in the alloy is the BCC α-Al15(Fe,Mn)3Si2 phase and has a polyhedral morphology with {1 1 0} surface termination. The formation of the P-IMCs can be easily suppressed by increasing the melt superheat and/or cooling rate, suggesting that the nucleation of the α-Al15(Fe,Mn)3Si2 phase is difficult. In addition, we found that the IMCs with a Chinese script morphology is initiated on the {1 0 0} surfaces of the P-IMCs during the binary eutectic reaction with the α-Al phase. Both the binary and ternary eutectic IMCs are also identified as the BCC α-Al15(Fe,Mn)3Si2 phase. Furthermore, we found that the Fe content increases and the Mn content decreases in the Fe-containing intermetallic compounds with the decrease of the formation temperature, although the sum of the Fe and Mn contents in all of the IMCs is constant.
Donepezil may reduce the risk of comorbidities in patients with Alzheimer's disease: A large‐scale matched case‐control analysis in Japan
Authors: Kobayashi Hiroyuki , Arai Heii 
Published: April 2018

AbstractIntroductionFew studies have focused on the association between donepezil and physical comorbid conditions in Alzheimer's disease patients.MethodsWe investigated the association between donepezil prescription and the occurrences of comorbidities in Alzheimer's disease patients, by using an electronic medical records database which contains case‐based information on approximately three million patients from more than 60 hospitals across Japan.ResultsNine thousand seven hundred forty‐nine patients had at least one diagnosis of Alzheimer's disease between 2001 and 2015. To test the robustness of the results, we used a risk set sampling method, and the matched cohorts based on age, sex, comorbidity level, and duration of illness consisted of 1406 cases and an equal number of controls. From the multivariate logistic regression analysis adjusted for covariance, less occurrence of physical comorbidities was associated with donepezil prescription in the matched cohort.DiscussionAlthough the mechanisms are unknown, donepezil may have positive effects on both cognition and physical status.
ANIOTO: LEOPARD-MEN KILLINGS AND INSTITUTIONAL DYNAMISM IN NORTHEAST CONGO, c. 1890–1940
Authors: VAN BOCKHAVEN VICKY 
Published: April 2018

AbstractIn northeast Congo, from c. 1890–1940, ritually-empowered militias of Bali Leopard-men, or anioto, killed people on behalf of local leaders to secure access to land, resources, and people and to keep rivals and subjects in check. Belgian colonial authorities portrayed the actions of anioto as an irrational disturbance, ignoring their political relevance. The contextualized study of colonial-era conflicts based on court hearings, in association with anthropological, historical, and material sources, gives insight into emic perspectives. As militias controlled by different leaders, they reflected human adaptability in dealing with social ills, performed judicial functions, and provided therapeutic relief through violence. Originating in the precolonial era, anioto adapted to various strategic needs throughout history. A study of different manifestations of anioto reveals the creative and amalgamating nature of institutional dynamism in northeast Congo. Better knowledge of this institutional history, based on studying conflicts from the past, may enrich our deeper understanding of the dynamics of conflicts in the present.
One‐Hertz Waves at Mars: MAVEN Observations
Authors: Ruhunusiri Suranga , Halekas J. S. , Espley J. R. , Eparvier F. , Brain D. , Mazelle C. , Harada Y. , DiBraccio G. A. , Thiemann E. M. B. , Larson D. E. , Mitchell D. L. , Jakosky B. M. , Sulaiman A. H. 
Published: April 2018

AbstractWe perform a survey of 1‐Hz waves at Mars utilizing Mars Atmosphere and Volatile EvolutioN (MAVEN) spacecraft observations for a Martian year. We find that the 1‐Hz wave occurrence rate shows an apparent variation caused by masking of the waves by background turbulence during the times when the background turbulence levels are high. To correct for this turbulence masking, we select waves that occur in time intervals where the background turbulence levels are low. We find that the extreme ultraviolet flux does not affect the wave occurrence rate significantly, suggesting that the newly born pickup ions originating in the Mars's exosphere contribute minimally to the 1‐Hz wave generation. We find that the wave occurrence rates are higher for low Mach numbers and low beta values than for high Mach numbers and high beta values. Further, we find that a high percentage of 1‐Hz waves satisfy the group‐standing condition, which suggests that a high percentage of the waves seen as monochromatic waves in the spacecraft frame can be broadband waves in the solar wind frame that have group velocities nearly equal and opposite to the solar wind velocity. We infer that the wave occurrence rate trends with the Mach number and proton beta are a consequence of how the Mach numbers and beta values influence the wave generation and damping or how those parameters affect the group‐standing condition. Finally, we find that the 1‐Hz waves are equally likely to be found in both the quasi‐parallel and the quasi‐perpendicular foreshock regions.