bluuebunny/crossref_metadata_2025_split huggingface dataset:
Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity
Authors: Azarkan Mohamed , Maquoi Erik , Delbrassine François , Herman Raphael , M’Rabet Nasiha , Calvo Esposito Rafaèle , Charlier Paulette , Kerff Frédéric 
Published: November 2020

AbstractThe Ananascomosus stem extract is a complex mixture containing various cysteine ​​proteases of the C1A subfamily, such as bromelain and ananain. This mixture used for centuries in Chinese medicine, has several potential therapeutic applications as anti-cancer, anti-inflammatory and ecchymosis degradation agent. In the present work we determined the structures of bromelain and ananain, both in their free forms and in complex with the inhibitors E64 and TLCK. These structures combined with protease-substrate complexes modeling clearly identified the Glu68 as responsible for the high discrimination of bromelain in favor of substrates with positively charged residues at P2, and unveil the reasons for its weak inhibition by cystatins and E64. Our results with purified and fully active bromelain, ananain and papain show a strong reduction of cell proliferation with MDA-MB231 and A2058 cancer cell lines at a concentration of about 1 μM, control experiments clearly emphasizing the need for proteolytic activity. In contrast, while bromelain and ananain had a strong effect on the proliferation of the OCI-LY19 and HL-60 non-adherent cell lines, papain, the archetypal member of the C1A subfamily, had none. This indicates that, in this case, sequence/structure identity beyond the active site of bromelain and ananain is more important than substrate specificity.
Molecular insights into the mechanisms of susceptibility of Labeo rohita against oomycete Aphanomyces invadans
Authors: Pradhan P. K. , Verma Dev Kumar , Peruzza Luca , Gupta Shubham , Haq Syed Assim , Shubin Sergei V. , Morgan Kenton L. , Trusch Franziska , Mohindra Vindhya , Hauton Chris , van West Pieter , Sood Neeraj 
Published: November 2020

AbstractAphanomyces invadans, the causative agent of epizootic ulcerative syndrome, is one of the most destructive pathogens of freshwater fishes. To date, the disease has been reported from over 160 fish species in 20 countries and notably, this is the first non-salmonid disease that has resulted in major impacts globally. In particular, Indian major carps (IMCs) are highly susceptible to this disease. To increase our knowledge particularly with regards to host immune response against A. invadans infection in a susceptible host, the gene expression profile in head kidney of A. invadans-infected and control rohu, Labeo rohita was investigated using RNA sequencing. Time course analysis of RNA-Seq data revealed 5608 differentially expressed genes, involved among others in Antigen processing and presentation, Leukocyte transendothelial migration, IL-17 signaling, Chemokine signaling, C-type lectin receptor signaling and Toll-like receptor signaling pathways. In the affected pathways, a number of immune genes were found to be downregulated, suggesting an immune evasion strategy of A. invadans in establishing the infection. The information generated in this study offers first systematic mechanistic understanding of the host–pathogen interaction that might underpin the development of new management strategies for this economically devastating fish-pathogenic oomycete A. invadans.
Modifying the thickness, pore size, and composition of diatom frustule in Craspedostauros sp. with Al3+ ions
Authors: Soleimani Mohammad , Rutten Luco , Maddala Sai Prakash , Wu Hanglong , Eren E. Deniz , Mezari Brahim , Schreur-Piet Ingeborg , Friedrich Heiner , van Benthem Rolf A. T. M. 
Published: November 2020

AbstractDiatoms are unicellular photosynthetic algae that produce a silica exoskeleton (frustule) which exposes a highly ordered nano to micro scale morphology. In recent years there has been a growing interest in modifying diatom frustules for technological applications. This is achieved by adding non-essential metals to the growth medium of diatoms which in turn modifies morphology, composition, and resulting properties of the frustule. Here, we investigate the frustule formation in diatom Craspedostauros sp., including changes to overall morphology, silica thickness, and composition, in the presence of Al3+ ions at different concentrations. Our results show that in the presence of Al3+ the total silica uptake from the growth medium increases, although a decrease in the growth rate is observed. This leads to a higher inorganic content per diatom resulting in a decreased pore diameter and a thicker frustule as evidenced by electron microscopy. Furthermore, 27Al solid-state NMR, FIB-SEM, and EDS results confirm that Al3+ becomes incorporated into the frustule during the silicification process, thus, improving hydrolysis resistance. This approach may be extended to a broad range of elements and diatom species towards the scalable production of silica materials with tunable hierarchical morphology and chemical composition.
Relationships between motor and cognitive functions and subsequent post-stroke mood disorders revealed by machine learning analysis
Authors: Hama Seiji , Yoshimura Kazumasa , Yanagawa Akiko , Shimonaga Koji , Furui Akira , Soh Zu , Nishino Shinya , Hirano Harutoyo , Yamawaki Shigeto , Tsuji Toshio 
Published: November 2020

AbstractMood disorders (e.g. depression, apathy, and anxiety) are often observed in stroke patients, exhibiting a negative impact on functional recovery associated with various physical disorders and cognitive dysfunction. Consequently, post-stroke symptoms are complex and difficult to understand. In this study, we aimed to clarify the cross-sectional relationship between mood disorders and motor/cognitive functions in stroke patients. An artificial neural network architecture was devised to predict three types of mood disorders from 36 evaluation indices obtained from functional, physical, and cognitive tests on 274 patients. The relationship between mood disorders and motor/cognitive functions were comprehensively analysed by performing input dimensionality reduction for the neural network. The receiver operating characteristic curve from the prediction exhibited a moderate to high area under the curve above 0.85. Moreover, the input dimensionality reduction retrieved the evaluation indices that are more strongly related to mood disorders. The analysis results suggest a stress threshold hypothesis, in which stroke-induced lesions promote stress vulnerability and may trigger mood disorders.
Complement C6 deficiency exacerbates pathophysiology after spinal cord injury
Authors: Su Diane , Hooshmand Mitra J. , Galvan Manuel D. , Nishi Rebecca A. , Cummings Brian J. , Anderson Aileen J. 
Published: November 2020

AbstractHistorically, the membrane attack complex, composed of complement components C5b-9, has been connected to lytic cell death and implicated in secondary injury after a CNS insult. However, studies to date have utilized either non-littermate control rat models, or mouse models that lack significant C5b-9 activity. To investigate what role C5b-9 plays in spinal cord injury and recovery, we generated littermate PVG C6 wildtype and deficient rats and tested functional and histological recovery after moderate contusion injury using the Infinite Horizon Impactor. We compare the effect of C6 deficiency on recovery of locomotor function and histological injury parameters in PVG rats under two conditions: (1) animals maintained as separate C6 WT and C6-D homozygous colonies; and (2) establishment of a heterozygous colony to generate C6 WT and C6-D littermate controls. The results suggest that maintenance of separate homozygous colonies is inadequate for testing the effect of C6 deficiency on locomotor and histological recovery after SCI, and highlight the importance of using littermate controls in studies involving genetic manipulation of the complement cascade.
Rice husk derived Aminated Silica for the efficient adsorption of different gases
Authors: Bakdash Rashed S. , Aljundi Isam. H. , Basheer Chanbasha , Abdulazeez Ismail 
Published: November 2020

AbstractIn this present work, we successfully prepared aminated silica (ASiO2) from rice husk ash (RHA) and functionalized with 3-aminopropyltriethoxysilane (APTES). Physical and chemical properties of the synthesized material were investigated by various techniques SEM–EDX, XPS, FTIR, TGA. The surface area of RHA was 223 m2/g, while for ASiO2 was 101 m2/g. Molecular level DFT calculations revealed that the functionalization of ASiO2 resulted in a significant decrease in the HOMO–LUMO energy gap, a reduction in hardness, and a consequent increase in charge transfer characteristics. The adsorption behavior at low pressure (1 atm.) of aminated silica on different gases CO2, CH4, H2, and N2 at temperatures 77, 273, 298 K was studied. The adsorption of hydrogen was reported for the first time on aminated silica with an excellent adsorption capacity of 1.2 mmol/g. The ASiO2 exhibited excellent performance in terms of gas separation in binary mixtures of CO2/CH4, CO2/N2 and CO2/H2 at 273, and 298 K, respectively. The catalyst further exhibits high stability during three cycles with less than 10% variation in the separation capacity.
Artificial intelligence application for rapid fabrication of size-tunable PLGA microparticles in microfluidics
Authors: Damiati Safa A. , Rossi Damiano , Joensson Haakan N. , Damiati Samar 
Published: November 2020

AbstractIn this study, synthetic polymeric particles were effectively fabricated by combining modern technologies of artificial intelligence (AI) and microfluidics. Because size uniformity is a key factor that significantly influences the stability of polymeric particles, therefore, this work aimed to establish a new AI application using machine learning technology for prediction of the size of poly(d,l-lactide-co-glycolide) (PLGA) microparticles produced by diverse microfluidic systems either in the form of single or multiple particles. Experimentally, the most effective factors for tuning droplet/particle sizes are PLGA concentrations and the flow rates of dispersed and aqueous phases in microfluidics. These factors were utilized to develop five different and simple in structure artificial neural network (ANN) models that are capable of predicting PLGA particle sizes produced by different microfluidic systems either individually or jointly merged. The systematic development of ANN models allowed ultimate construction of a single in silico model which consists of data for three different microfluidic systems. This ANN model eventually allowed rapid prediction of particle sizes produced using various microfluidic systems. This AI application offers a new platform for further rapid and economical exploration of polymer particles production in defined sizes for various applications including biomimetic studies, biomedicine, and pharmaceutics.
Protein-caged zinc porphyrin as a carbonic anhydrase mimic for carbon dioxide capture
Authors: Chi Haixia , Chen Han , Gong Kai , Wang Xiaoqiang , Zhang Youming 
Published: November 2020

AbstractZinc tetraphenylporphyrin (Zn-TPP) solubilized by GroEL protein cage was prepared as a supramolecular mimic of carbonic anhydrase (CA) for CO2 capture. It is shown that the soluble Zn-TPP-GroEL complex can be formed easily by detergent dialysis. The Zn-TPP/GroEL binding ratio was found to increase with their dialysis ratio until reaching the maximum of about 30 porphyrins per protein cage. Moreover, the complex showed hydrase activity that catalyzes the CO2 hydration in HCO3− and H+. It is further seen that the catalytic activity of Zn-TPP-GroEL was about one-half of that of a bovine CA at 25 °C. On the other hand, as the temperature was increased to 60 °C close to an industrial CO2 absorption temperature, the natural enzyme lost function while Zn-TPP-GroEL exhibited better catalytic performance indicative of a higher thermal stability. Finally, we demonstrate that the GroEL-solubilized Zn-TPP is able to accelerate the precipitation of CO2 in the form of CaCO3 and has better long-term performance than the bovine CA. Thus a new type of nano-caged system mimicking natural CAs for potential applications in carbon capture has been established.
Defectors’ intolerance of others promotes cooperation in the repeated public goods game with opting out
Authors: Křivan Vlastimil , Cressman Ross 
Published: November 2020

AbstractThe theoretical and experimental research on opting out (also called conditional dissociation) in social dilemmas has concentrated on the effect this behavior has on the level of cooperation when used against defectors. The intuition behind this emphasis is based on the common property of social dilemmas that individuals are worse off the more their opponents defect. However, this article shows clearly that other opting out mechanisms are better at increasing cooperative behavior. In fact, by analyzing the stable Nash equilibria for the repeated multi-player public goods game with opting out, our results provide a strong argument that the best opting out rule is one whereby the only groups that voluntarily stay together between rounds are those that are homogeneous (i.e., those groups that are either all cooperators or all defectors), when these groups stay together for enough rounds. This outcome emerges when defectors are completely intolerant of individuals who cooperate (e.g., defectors exhibit xenophobic behavior toward cooperators) and so opt out whenever their group has a cooperator in it. The strong preference by defectors to be with like-minded individuals causes all heterogeneous groups to disband after one round.
Ensemble description of the intrinsically disordered N-terminal domain of the Nipah virus P/V protein from combined NMR and SAXS
Authors: Schiavina Marco , Salladini Edoardo , Murrali Maria Grazia , Tria Giancarlo , Felli Isabella C. , Pierattelli Roberta , Longhi Sonia 
Published: November 2020

AbstractUsing SAXS and NMR spectroscopy, we herein provide a high-resolution description of the intrinsically disordered N-terminal domain (PNT, aa 1–406) shared by the Nipah virus (NiV) phosphoprotein (P) and V protein, two key players in viral genome replication and in evasion of the host innate immune response, respectively. The use of multidimensional NMR spectroscopy allowed us to assign as much as 91% of the residues of this intrinsically disordered domain whose size constitutes a technical challenge for NMR studies. Chemical shifts and nuclear relaxation measurements provide the picture of a highly flexible protein. The combination of SAXS and NMR information enabled the description of the conformational ensemble of the protein in solution. The present results, beyond providing an overall description of the conformational behavior of this intrinsically disordered region, also constitute an asset for obtaining atomistic information in future interaction studies with viral and/or cellular partners. The present study can thus be regarded as the starting point towards the design of inhibitors that by targeting crucial protein–protein interactions involving PNT might be instrumental to combat this deadly virus.
Entrainment of circadian rhythms of locomotor activity by ambient temperature cycles in the dromedary camel
Authors: Farsi Hicham , Achaâban Mohamed R. , Piro Mohammed , Bothorel Béatrice , Ouassat Mohammed , Challet Etienne , Pévet Paul , El Allali Khalid 
Published: November 2020

AbstractIn the dromedary camel, a well-adapted desert mammal, daily ambient temperature (Ta)-cycles have been shown to synchronize the central circadian clock. Such entrainment has been demonstrated by examining two circadian outputs, body temperature and melatonin rhythms. Locomotor activity (LA), another circadian output not yet investigated in the camel, may provide further information on such specific entrainment. To verify if daily LA is an endogenous rhythm and whether the desert Ta-cycle can entrain it, six dromedaries were first kept under total darkness and constant-Ta. Results showed that the LA rhythm free runs with a period of 24.8–24.9 h. After having verified that the light–dark cycle synchronizes LA, camels were subjected to a Ta-cycle with warmer temperatures during subjective days and cooler temperatures during subjective nights. Results showed that the free-running LA rhythm was entrained by the Ta-cycle with a period of exactly 24.0 h, while a 12 h Ta-cycle phase advance induced an inversion of the LA rhythm and advanced the acrophase by 9 h. Similarly, activity onset and offset were significantly advanced. All together, these results demonstrate that the Ta-cycle is a strong zeitgeber, able to entrain the camel LA rhythm, hence corroborating previous results concerning the Ta non-photic synchronization of the circadian master clock.
Validation of the BD FACSPresto system for the measurement of CD4 T-lymphocytes and hemoglobin concentration in HIV-negative and HIV-positive subjects
Authors: Lu Xiaofan , Sun Hanxiao , Li Haicong , Xia Wei , Wu Hao , Chen Daihong , Tan Meiyu , Yu Shijun , Zhang Tong , Sheng Huiming , Zhu Zhaoqin 
Published: November 2020

AbstractThis study aimed to compare the performance of the BD FACSPresto system with the conventional standard-of-care technologies for the measurement of absolute CD4 count (AbsCD4), CD4 percentage (CD4%) and total hemoglobin concentration (Hb) in capillary and venous blood samples of HIV-negative and HIV-positive subjects. A total of 1304 participants were included in this prospective cohort study. Both venous and capillary blood samples were analyzed using the BD FACSPresto system and the results were compared against the BD FACSCalibur for enumerating AbsCD4 and CD4% and Sysmex XT-4000i hematology analyzer for determining Hb levels. Method comparison studies were performed using Deming regression and Bland–Altman plots. The Deming regression analyses comparing the accuracy of the BD FACSPresto system with the reference standard technologies demonstrated a significant linear correlation between the AbsCD4, CD4%, and Hb values generated by the two platforms. The 95% CI of the slopes for AbsCD4, CD4%, and Hb levels were 0.94–0.99, 0.99–1.01 and 0.86–0.93, respectively (P < 0.001). Bland–Altman plots for AbsCD4, CD4%, and Hb levels demonstrated close agreement between the BD FACSPresto system and the reference standards for all study participants. The performance and accuracy of BD FACSPresto system was comparable to the reference standard technologies. The BD FACSPresto system can be used interchangeably with BD FACSCalibur platform for CD4 and Sysmex XT-4000i hematology analyzer for Hb concentrations in resource-limited settings thus, improving accessibility to point-of-care testing services.
Incidence and risk factors of vascular complications in people with impaired fasting glucose: a national cohort study in Korea
Authors: Yu Eun Sun , Hong Kwan , Chun Byung Chul 
Published: November 2020

AbstractThis study aimed to evaluate the risk of vascular complications of impaired fasting glucose (IFG). This population-based study included 425,608 participants from the National Health Screening Cohort in Korea in 2003 and 2004 who were followed-up until 2015. The participants were classified into normal, IFG, and diabetes groups based on fasting plasma glucose levels. Incidence rate (per 1000 person-year) was evaluated for the following vascular complications: cardiovascular (ischemic heart disease, cerebrovascular disease, arterial and capillary disease), renal, and retinal diseases. Hazard ratios (HR) of IFG for diabetes were estimated after adjusting for patient characteristics. Among the 88,330 IFG participants, the incidence of cardiovascular, chronic renal and retinal diseases were 11.52, 0.47, and 1.08 per 1000 person-years, respectively. Furthermore, IFG patients with a family history of diabetes, past history of hypertension, and high body mass index had significantly increased risk of vascular complications [adjusted HR, cardiovascular: 1.39 (95% CI 1.33–1.46); renal: 2.17 (95% CI 1.66–2.83); and retinal: 1.14 (95% CI 0.98–1.32)]. IFG patients have a substantial risk of cardiovascular, chronic renal and retinal diseases. Therefore, early preventative interventions are beneficial, especially for those with high-risk factors, in whom should emphasize on maintaining a healthy lifestyle, early screening and continuous follow-up.
Identification of critical genetic variants associated with metabolic phenotypes of the Japanese population
Authors: Koshiba Seizo , Motoike Ikuko N. , Saigusa Daisuke , Inoue Jin , Aoki Yuichi , Tadaka Shu , Shirota Matsuyuki , Katsuoka Fumiki , Tamiya Gen , Minegishi Naoko , Fuse Nobuo , Kinoshita Kengo , Yamamoto Masayuki 
Published: November 2020

AbstractWe performed a metabolome genome-wide association study for the Japanese population in the prospective cohort study of Tohoku Medical Megabank. By combining whole-genome sequencing and nontarget metabolome analyses, we identified a large number of novel associations between genetic variants and plasma metabolites. Of the identified metabolite-associated genes, approximately half have already been shown to be involved in various diseases. We identified metabolite-associated genes involved in the metabolism of xenobiotics, some of which are from intestinal microorganisms, indicating that the identified genetic variants also markedly influence the interaction between the host and symbiotic bacteria. We also identified five associations that appeared to be female-specific. A number of rare variants that influence metabolite levels were also found, and combinations of common and rare variants influenced the metabolite levels more profoundly. These results support our contention that metabolic phenotyping provides important insights into how genetic and environmental factors provoke human diseases.
A cosolvent surfactant mechanism affects polymer collapse in miscible good solvents
Authors: Bharadwaj Swaminath , Nayar Divya , Dalgicdir Cahit , van der Vegt Nico F. A. 
Published: November 2020

AbstractThe coil–globule transition of aqueous polymers is of profound significance in understanding the structure and function of responsive soft matter. In particular, the remarkable effect of amphiphilic cosolvents (e.g., alcohols) that leads to both swelling and collapse of stimuli-responsive polymers has been hotly debated in the literature, often with contradictory mechanisms proposed. Using molecular dynamics simulations, we herein demonstrate that alcohols reduce the free energy cost of creating a repulsive polymer–solvent interface via a surfactant-like mechanism which surprisingly drives polymer collapse at low alcohol concentrations. This hitherto neglected role of interfacial solvation thermodynamics is common to all coil–globule transitions, and rationalizes the experimentally observed effects of higher alcohols and polymer molecular weight on the coil-to-globule transition of thermoresponsive polymers. Polymer–(co)solvent attractive interactions reinforce or compensate this mechanism and it is this interplay which drives polymer swelling or collapse.