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In silico assessment of human health risks caused by cyanotoxins from cyanobacteria

BIOcELL 2021年第1期45卷 65-77页

作者： JIA-fong HONG BAGHDAD OUDDANE JIANG-SHIOU HWANG HANS-UWE DAHmS Department of Biomedical Science and Environmental Biology College of Life ScienceKaohsiung Medical UniversityKaohsiung807Taiwan Univ.Lille Laboratoire LASIREUMR CNRS 8516Equipe Physico-Chimie de l’EnvironnementLilleF-59000France Institute of marine Biology Taiwan Ocean UniversityKeelung202Taiwan center of Excellence for the Oceans Taiwan Ocean UniversityKeelung202Taiwan center of Excellence for Ocean Engineering Taiwan Ocean UniversityKeelung202Taiwan Research center for Environmental medicine KMU-Kaohsiung Medical UniversityKaohsiung807Taiwan Department of marine Biotechnology and Resources National Sun Yat-sen UniversityKaohsiung804Taiwan

Harmful algal blooms(HABs)that are formed by cyanobacteria have become a serious issue worldwide in recent *** can release a type of secondary metabolites called cyanotoxins into aquatic systems which may indirectly or directly provide health risks to the environment and *** provide some of the most powerful natural poisons including potent neurotoxins,hepatotoxins,cytotoxins,and endotoxins that may result in environmental health risks,and long-term morbidity and mortality to animals and *** this research,we used the chemcomputational tool molinspiration for molecular property predictions,Pred-hERG 4.2 web software for cardiac toxicity prediction,and Pred-Skin 2.0 web software for predicting skin *** are predicting some toxicological aspects of cyanobacteria here using chemcomputational tools with the hypothesis that cyanotoxins are providing a risk to human *** are using the tool Pred-hERG 4.2 to predict hERG channel blocking potential and the Pred-skin tool to predict skin sensitization due to *** potential of anatoxin,ambigol,the microcystin group,and lyngbyatoxin A,lyngbyatoxin B,nodularin-R,and saxitoxin were predicted to cause skin sensitization in the final results(consensus model).Anatoxin-a and lyngbyatoxin were predicted to allow GI absorption and blood–brain barrier *** the 20 predicted cyanotoxins only aeruginosin 103-A,ambigol A,and ambigol were predicted by Pred-hERG 4.2 according to the applicability domain results as potential cardiotoxins with weak or moderate *** shows activity through the GPcR ligand and protease,kinase,and enzyme inhibitor.

关键词： cyanotoxins Predictive model molinspiration Bioactivity score hERG blocker carcinogenicity

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Hydrodynamics of the interceptor on a 2-D flat plate by cFD and experiments

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Journal of Hydrodynamics 2015年第6期27卷 919-933页

作者： mANSOORI m. FERNANDES A.c. Department of Naval and Ocean Engineering Federal University of Rio de Janeiro

Nowadays, the use of interceptor by both partial and total dynamic lift crafts is quite common. In this article, a lot of evidence is given regarding the effectiveness of interceptor. The interceptor, when placed at the stern region, changes the pressure distribution around the craft. Its presence affects drag force, lifting force and the position of pressure＇s center leading to a new trim. This study focuses on hydrodynamic effects of interceptors on a 2-D fiat plate based on both computational fluid dynamic （cFD） and experimental approaches. The Reynolds average Navier-Stokes （RANS） equations are used to model the flow around a fixed flat plate with an interceptor at different heights and attack angles. Based on finite volume method and SImPLE algorithm which uses static structures, this model can be analyzed and the RANS results can be compared with the experimental data obtained in the current channel of the laboratory of waves and current of cOPPE/UFRJ （LOc in Portuguese acronym）. According to the results, the increase of pressure at the end of the flat plate was proportional to the interceptor height. In addition, the existence of interceptors can significantly increase the lift force coefficient at high angles of attack also proportional to the interceptor height. The presence of interceptor at the end of the fiat plate increased both the lift coefficient and the drag coefficient but hydrodynamic drag did not grow as fast as the lift coefficient did. The lift coefficient increased much more. Furthermore, the results showed that the interceptor effectiveness is proportional to the boundary layer thickness at the end of the fiat plate. As the interceptor was inside the boundary layer alterations of flow speed led to changes in boundary layer thickness, directly affecting interceptor＇s efficiency. Optimum choice of interceptor height had a great effect on its efficiency, and in choosing it the flow speed and length of the boat must be taken into consideration.

关键词： interceptor craft 2-D fiat plate lifting coefficient Reynolds average Navier-Stokes (RANS) pressure distribution,computational fluid dynamic drag

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current perspectives and the future of disease-modifying therapies in type 1 diabetes

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World Journal of Diabetes 2025年第1期16卷 12-21页

作者： Sunetra mondal Joseph m Pappachan Department of Endocrinology NRS Medical College and HospitalKolkata 700014West BengalIndia Department of Endocrinology and metabolism Lancashire Teaching Hospitals NHS TrustPreston PR29HTUnited Kingdom Faculty of Science Manchester Metropolitan UniversityManchester M156BHUnited Kingdom Department of Endocrinology Kasturba Medical CollegeManipal 576104India

Use of immunomodulating agents to prevent the progression of autoimmuneβ-cell damage leading to type 1 diabetes mellitus(T1Dm)is an interesting area for *** include non-specific anti-inflammatory agents,immunologic vaccination and anti-inflammatory agents targeting specific immune cells or *** is an anti-cD3-molecule that binds to and leads to the disappearance of the cD3/TcR complex and rendering the T cell anergic to its target *** and clinical trials have demonstrated its efficacy in reducing the decline in serum c-peptide levels and the need for insulin therapy if used early in the disease process of *** benefits have been apparent as early as six months to as long as seven years after *** has recently been approved by the Food and Drug Administration to delay the onset of clinical(stage 3)type 1 diabetes in children above 8 years of *** their recent metaanalysis published in the World Journal of Diabetes,ma et al found that those in the teplizumab treatment group have a greater likelihood of reduction in insulin use,change in c-peptide response,and better glycemic control compared to the control group with a good safety ***,all the included randomized control trials have been conducted in high-income *** cost of therapy and unknown utility of the molecule in stage 3 disease limit its widespread use.

关键词： Teplizumab Type 1 diabetes mellitus Disease modifying therapy β-cell function c-peptide Immunotherapy

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A code-independent technique for computational verification of fluid mechanics and heat transfer problems

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Acta mechanica Sinica 2008年第4期24卷 387-397页

作者： m.Garbey c.Picard Department of computer Science University of Houston Houston TX 77204 USA

The goal of this paper is to present a versatile framework for solution verification of PDE＇s. We first generalize the Richardson Extrapolation technique to an optimized extrapolation solution procedure that constructs the best consistent solution from a set of two or three coarse grid solution in the discrete norm of choice. This technique generalizes the Least Square Extrapolation method introduced by one of the author and W. Shyy. We second establish the conditioning number of the problem in a reduced space that approximates the main feature of the numerical solution thanks to a sensitivity analysis. Overall our method produces an a posteriori error estimation in this reduced space of approximation. The key feature of our method is that our construction does not require an internal knowledge of the software neither the source code that produces the solution to be verified. It can be applied in principle as a postprocessing procedure to off the shelf commercial code. We demonstrate the robustness of our method with two steady problems that are separately an incompressible back step flow test case and a heat transfer problem for a battery. Our error estimate might be ultimately verified with a near by manufactured solution. While our pro- cedure is systematic and requires numerous computation of residuals, one can take advantage of distributed computing to get quickly the error estimate.

关键词： Solution verification PDE's Navier Stokes ·Heat transfer. Aposteriori estimate·Distributed computing

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modelling mechanical Properties in Native and Biomimetically Formed Vascular Grafts

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Journal of Bionic Engineering 2009年第4期6卷 371-377页

作者： m.mandru c.Ionescu m.chirita University of medicine and Pharmacy Faculty of Biomedical EngineeringUniversity street 16700115 IasiRomania Ghent University Department of Electrical energySystems and AutomationTechnologiepark 913B9052GentBelgium

The paper presents a detailed analysis of experimental data in order to characterize the elastic properties of *** analysis would provide a good basis for evaluation of biomimetic vascular *** the latter needs to exhibit similar properties of native tissue,it is important to accurately characterize the biomimetic sample in a large range of applied stresses. The stress-strain properties vary according to the specific pathology(***,aneurism)and the tissue graft must be chosen *** models are proposed in this paper on the stress-strain *** extension for frequency-domain analysis is provided for one of the *** comparison between vascular grafts and native tissue for carotid and thoracic arteries in pigs are in good agreement with results from *** proposed experimental method offers suitable parameters for identifying models which characterize both elasticity and stiffness properties of the analyzed tissues(stress-strain).The proposed models show good performance in characterizing the intrinsic material properties.

关键词： biomimetic biomaterials vascular graft native and artificial tissues stress-strain modeling

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Analysis of Differences in Productivity,Profitability and Soil Fertility Between Organic and conventional cropping Systems in the Tropics and Sub-tropics

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Journal of Integrative Agriculture 2014年第10期13卷 2299-2310页

作者： Te Pas c m Rees R m School of GeoSciences University of Edinburgh carbon management centre Scotland's Rural College

Organic farming aims to stimulate soil fertility by avoiding the use of synthetic fertiliser inputs, relying instead on locally available natural resources. It is regarded by many as a sustainable alternative to conventional fanning because it ensures higher biodiversity, restricts environmental pollution, prevents land degradation and is easy to apply for smallholder and subsistence farmers. Although widely practiced and studied in temperate regions, little is known about the potential overall benefits of organic farming in the tropics and subtropics. This paper addresses this gap by undertaking an analysis of the differences between organic and conventional agriculture in the tropics and sub-tropics based on an extensive literature review including 88 papers with 458 data pairs. The comparison is based on three main indicators： yield, gross margin and soil organic carbon （SOc）. The differences between the organic and conventional systems for each of these main indicators is represented by the ratio of the value of the indicator in the organic system divided by the corresponding value in the conventional system. This was initially calculated for each data pair individually, and grouped by a variety of explanatory factors, such as precipitation, human development level, soil texture, crop type, organic input type, time after conversion and certification. The results demonstrate that under organic management, yields were on average 26% higher, gross margins 51% higher and soil organic carbon 53% higher than under conventional management. The highest yield increases in organic cropping systems were achieved in the least developed countries, in arid regions and on coarse soils. For gross margins, certification was the main reason for differences between organic and conventional systems. certified farmers, mostly located in developed countries, receive significantly higher prices. Furthermore, organic farming in the driest regions results in higher profits than in other

关键词： organic farming conventional fanning tropics subtropics carbon sequestration yield soil quality soil organic carbon

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Role of Ag microalloying on glass forming ability and crystallization kinetics of ZrcoAgAlNi amorphous alloy

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chinese Physics B 2021年第1期30卷 471-476页

作者： A Surendar K Geetha c Rajan m Alaazim Department of Pharmacology Saveetha Dental College and HospitalSaveetha Institute of Medical and Technical SciencesChennaiIndia cSE Excel Engineering CollegePallakapalayamKomarapalayam637303India IT K S Rangasamy College of Technology TiruchengodeNamakkalTamil Nadu 637215India Faculty of Engineering Universitas Muhammadiyah Surakarta(UMS)Indonesia

Bulk metallic glasses(BmGs) with new chemical compositions(ZrcoAgAlNi) were fabricated and the effects of Ag minor addition on the glass forming ability(GFA) and crystallization kinetics were studied. The x-ray diffraction(XRD) test was applied to identify the amorphousness of BmGs or possible crystalline phases. Using differential scanning calorimeter(DSc), the thermal stability and crystallization kinetics under a non-isothermal condition at the different heating rates were studied. considering the heating rate dependency of glass transition and crystallization kinetics, the activation energy was evaluated and measured for the mentioned processes. It was revealed that the rise in Ag content led to the decrease in activation energy for glass transition, while the activation energy for crystallization increased. The thermal stability and GFA were also studied and it was found that the Ag addition strongly affected the inherent features of BmGs. With the increase in Ag content, the atomic mobility and structural rearrangement changed in the material and consequently, the GFA and thermal stability were significantly improved.

关键词： bulk metallic glass materials design crystallization kinetics glass forming ability

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combining material characterization with single and multi-oxyanion adsorption for mechanistic study of chromate removal by cationic hydrogel

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Journal of Environmental Sciences 2011年第6期23卷 1004-1010页

作者： Irene m.c.Lo Samuel c.N.Tang Department of civil and Environmental Engineering The Hong Kong University of Science and TechnologyHong KongChina

cationic hydrogel with magnetic property was synthesized via radical polymerization and its removal capacity of chromate from contaminated water was found to be 200 mg/*** Fourier transform infrared spectroscopy（FT-IR） study,the mechanism of chromate removal by hydrogel was found to be non-specific adsorption,mainly due to ion exchange,as evidenced by the positively charged functional group,trimethyl ammonium-N＋（cH3）3,in the *** were accordingly determined by testing di？erent oxyanion adsorption onto the *** results of the chromate adsorption experiments illustrated that the amount of chromate adsorbed was nearly equal to that of the chloride released from the hydrogel,which is part of the evidence for ion *** and multi-oxyanion adsorption experiments were also performed,and it was demonstrated that ion removal was species independent,but charge dependent,another characteristic of the ion exchange *** was found that the same Langmuir model can be applied to best fit the findings of single and multi-oxyanion adsorption,which further indicates the mechanism of chromate removal is attributed to ion *** view of the above,the background anions compete for adsorption sites with chromate,evidenced by inhibitive chromate removal in the presence of background electrolytes in the batch studies,further echoing the ion exchange mechanism.

关键词： adsorption magnetic hydrogel mechanism ion exchange oxyanion

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Preliminary performance analysis and optimization based on 1D neutronics model for Indian DEmO HccB blanket

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Plasma Science and Technology 2020年第8期22卷 184-191页

作者： D AGGARWAL c DANANI m Z YOUSSEF Institute for Plasma Research GandhinagarGujarat 382428India Homi Bhabha National Institute(HBNI) AnushaktinagarMumbai 400094India University of california-Los Angeles Los AngelesCA 90095United States of America

India,under its breeding blanket R&D program for DEmO,is focusing on the development of two tritium breeding blanket concepts;namely the lead-lithium-cooled ceramic breeder and the helium-cooled ceramic breeder(HccB).The study presented in this paper focuses on the neutronic design analysis and optimization from the tritium breeding perspective of the HccB *** Indian concept has an edge-on configuration and is one of the variants of the helium-cooled solid breeder blanket concepts proposed by several partner countries in *** Indian HccB blanket having lithium titanate(Li2TiO3)as the tritium breeder and beryllium(Be)as the neutron multiplier with reduced-activation ferritic/martensitic steel structure aims at utilizing the low-energy neutrons at the rear part of the *** aim of the optimization study is to minimize the radial blanket thickness while ensuring tritium self-sufficiency and provide data for further neutronic design and thermal-hydraulic layout of the HccB *** is found that inboard and outboard blanket thicknesses of 40 cm and 60 cm,respectively,can give a tritium breeding ratio(TBR)>1.3,with 60%6Li enrichment,which is assumed to be sufficient to cover potential tritium losses and associated *** results also demonstrated that the Be packing fraction(PF)has a more profound impact on the TBR as compared to 6Li enrichment and the PF of Li2TiO3.

关键词： DEmO helium-cooled ceramic breeder blanket neutronic optimization study tritium breeding ratio

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Adsorption Isotherm Study of Activated Fruit Peels for copper Removal

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Journal of Harbin Institute of Technology(New Series) 2022年第3期29卷 93-100页

作者： S.Y.Tai L.L.fong m.K.chan P.K.Bullar centre for Water Research Faculty of EngineeringBuilt Environment and Information TechnologySEGi University Sdn BhdPetaling Jaya 47810SelangorMalaysia

Heavy metal polluted water threatens the integrity of *** use of agricultural waste as adsorbent becomes popular due to its biodegradability and ***,limited research works has been done to process agricultural waste for heavy metal adsorption *** objective of this study is to propose a new approach to treat banana peel using Zncl_(2) prior to alkali and acid treatment and explore the potential of dragon fruit peels as the adsorbent for cu^(2+)*** adsorption isotherm was adopted to identify the adsorption mechanism and four statistical parameters were calculated for model verification *** experiment was conducted by dispersing Zncl_(2) treated and untreated adsorbents into cu^(2+) *** showed that Zncl_(2) treated adsorbents performed better in terms of cu^(2+) removal compared with untreated adsorbents due to higher surface area for cu^(2+) *** treated banana peel(Act.-B)performed approximately 30%better than the treated dragon fruit peel(Act.-D)due to the presence of hydroxyl and carboxyl *** equilibrium adsorptive capacity of Act.-B was 1872.8 mg cu^(2+)/g and the experimental data fitted Freundlich isotherm well with R^(2)=0.9978,0.0161 of residual sum of error(SSE),0.0068 of χ^(2),and 0.0567 of root mean square error(RmSE)*** suggests non⁃linear adsorption and multilayer adsorption on heterogenous ***,it is recommended to further improve the surface properties of Act.-B by steam pyrolysis and surface modification.

关键词： banana peel adsorbents dragon fruit peel adsorbents copper FTIR isotherm

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