Translationally controlled tumor protein (TCTP), also known as histamine releasing factor (HRF), is found abundantly in different eukaryotic cell types. The sequence homology of TCTP between different species is very high, belonging to the MSS4/DSS4 superfamily of proteins. TCTP is involved in both cell growth and human late allergy reaction, as well as having a calcium binding property; however, its primary biological functions remain to be clearly elucidated. In regard to many possible functions, the TCTP of Plasmodium falciparum (Pf) is known to bind with an antimalarial agent, artemisinin, which is activated by heme. It is assumed that the endoperoxide-bridge of artemisinin is opened up by heme to form a free radical, which then eventually alkylates, probably to the Cys14 of PfTCTP. Study of the docking of artemisinin with heme, and subsequently with PfTCTP, was carried out to verify the above hypothesis on the basis of structural interactions. The three dimensional (3D) structure of PfTCTP was built by homology modeling, using the NMR structure of the TCTP of Schizosaccharomyces pombe as a template. The quality of the model was examined based on its secondary structure and biological function, as well as with the use of structure evaluating programs. The interactions between artemisinin, heme and PfTCTP were then studied using the docking program, FlexiDock. The center of the peroxide bond of artemisinin and the Fe of heme were docked within a short distance of $2.6{\AA}$, implying the strong possibility of an interaction between the two molecules, as proposed. When the activated form of artemisinin was docked on the PfTCTP, the C4-radical of the drug faced towards the sulfur of Cys14 within a distance of $2.48{\AA}$, again suggesting the possibility of alkylation having occurred. These results confirm the proposed mechanism of the antimalarial effect of artemisinin, which will provide a reliable method for establishing the mechanism of its biological activity using a molecular modeling study.
Reverse osmosis (RO) membranes have been widely used for desalination as well as water and wastewater treatment facilities. Cleaning process is important to maintain stable operation as well as prevention of membrane fouling. Purpose of this research is to analyze electrostatistic and chemical characteristics after cleaning of RO membrane against $SiO_2$ scale. Four RO membranes of polyamide are used and examined about effect of chemical cleaning. EDTA (ethylene diamine tetraacetic acid) and SDS (sodium dodecil sulfate) and NaOH are applied for cleaning process after operation in synthetic water. Then, cleaning was performed with chemicals such concentration as 6hr, 12hr and 24hr, respectively. As a result, transmittances of FT-IR of four membranes are compared at each cleaning concentration. Ta/Tv shows difference of chemical composition between new membrane and cleaning membrane after cleaning. Type B of RO membrane is turned out to be most vulnerable to cleaning among four membranes. In terms of zeta potential, new membrane has -16 mV to +6 mV on pH while scaled membrane has -18 mV to 2 mV. However, it changed -23mV to 0.9 mV after cleaning. In comparison with existing salt rejection of RO membranes after cleaning, the rejection of the membranes goes down 0.7% maximum. Though cleaning changes the characteristics of membrane surface, it does not greatly affect salt rejection. pH is a critical factor to flux change in PA (polyamide) membrane.
Jaffal, Sahar Majdi;Al-Najjar, Belal Omar;Abbas, Manal Ahmad
The Korean Journal of Pain
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v.34
no.3
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pp.262-270
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2021
Background: Transient receptor potential vanilloid 1 (TRPV1) is a non-selective cation channel implicated in pain sensation in response to heat, protons, and capsaicin (CAPS). It is well established that TRPV1 is involved in mechanical allodynia. This study investigates the effect of Ononis spinosa (Fabaceae) in CAPS-induced mechanical allodynia and its mechanism of action. Methods: Mechanical allodynia was induced by the intraplantar (ipl) injection of 40 ㎍ CAPS into the left hind paw of male Wistar rats. Animals received an ipl injection of 100 ㎍ O. spinosa methanolic leaf extract or 2.5% diclofenac sodium 20 minutes before CAPS injection. Paw withdrawal threshold (PWT) was measured using von Frey filament 30, 90, and 150 minutes after CAPS injection. A molecular docking tool, AutoDock 4.2, was used to study the binding energies and intermolecular interactions between O. spinosa constituents and TRPV1 receptor. Results: The ipsilateral ipl injection of O. spinosa before CAPS injection increased PWT in rats at all time points. O. spinosa decreased mechanical allodynia by 5.35-fold compared to a 3.59-fold decrease produced by diclofenac sodium. The ipsilateral pretreatment with TRPV1 antagonist (300 ㎍ 4-[3-Chloro-2-pyridinyl]-N-[4-[1,1-dimethylethyl] phenyl]-1-piperazinecarboxamide [BCTC]) as well as the β2-adrenoreceptor antagonist (150 ㎍ butoxamine) attenuated the action of O. spinosa. Depending on molecular docking results, the activity of the extract could be attributed to the bindings of campesterol, stigmasterol, and ononin compounds to TRPV1. Conclusions: O. spinosa alleviated CAPS-induced mechanical allodynia through 2 mechanisms: the direct modulation of TRPV1 and the involvement of β2 adrenoreceptor signaling.
This study presents a mission management technique that is a key component of underwater docking system used to expand the operating range of autonomous underwater vehicle (AUV). We analyzed the docking scenario and AUV operating environment, defining the feasible initial area (FIA) level, event level, and global path (GP) command to improve the rate of docking success and AUV safety. Non-holonomic constraints, mounted sensor characteristic, AUV and mission state, and AUV behavior were considered. Using AUV and docking station, we conducted experiments on land and at sea. The first test was conducted on land to prevent loss and damage of the AUV and verify stability and interconnection with other algorithms; it performed well in normal and abnormal situations. Subsequently, we attempted to dock under the sea and verified its performance; it also worked well in a sea environment. In this study, we presented the mission management technique and showed its performance. We demonstrated AUV docking with this algorithm and verified that the rate of docking success was higher compared to those obtained in other studies.
Background: Cardamom (Elettaria cardamom), also known as "Queen of Spices", has been traditionally used as a culinary ingredient due to its pleasant aroma and taste. In addition to this role, studies on cardamom have demonstrated cancer chemopreventive potential in in vitro and in vivo systems. Nevertheless, the precise poly-pharmacological nature of naturally occurring chemo-preventive compounds in cardamom has still not been fully demystified. Methods:In this study, an effort has been made to identify the proapoptopic, anti-inflammatory, anti-proliferative, anti-invasive and anti-angiogenic targets of Cardamom's bioactive principles (eucalyptol, alpha-pinene, beta-pinene, d-limonene and geraniol) by employing a dual reverse virtual screening protocol. Experimentally proven target information of the bioactive principles was annotated from bioassay databases and compared with the virtually screened set of targets to evaluate the reliability of the computational identification. To study the molecular interaction pattern of the anti-tumor action, molecular docking simulation was performed with Auto Dock Pyrx. Interaction studies of binding pose of eucalyptol with Caspase 3 were conducted to obtain an insight into the interacting amino acids and their inter-molecular bondings. Results:A prioritized list of target proteins associated with multiple forms of cancer and ranked by their Fit Score (Pharm Mapper) and descending 3D score (Reverse Screen 3D) were obtained from the two independent inverse screening platforms. Molecular docking studies exploring the bioactive principle targeted action revealed that H- bonds and electrostatic interactions forms the chief contributing factor in inter-molecular interactions associated with anti-tumor activity. Eucalyptol binds to the Caspase 3 with a specific framework that is well-suited for nucleophilic attacks by polar residues inside the Caspase 3 catalytic site. Conclusion:This study revealed vital information about the poly-pharmacological anti-tumor mode-of-action of essential oils in cardamom. In addition, a probabilistic set of anti-tumor targets for cardamom was generated, which can be further confirmed by in vivo and in vitro experiments.
Proceedings of the Korean Geotechical Society Conference
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2010.09a
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pp.124-143
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2010
Cofferdam is a temporary levee or dam structure built by using sheet pile or earth materials to prevent water infiltration during construction work of bridge, dam, harbour dock, or hydraulic structures in the river. In this regard, it is required to secure cutoff ability for dry work and workability for rapid installation and removal of the temporary dam or levee structures. In this paper, case studies for design and construction of cofferdam were performed, and water diversion method was briefed with some examples of cofferdam type as well. For the case study details of design and construction were reviewed based on cofferdams under construction related to 16 submerged weirs of "The 4-river restoration project" and dam type cofferdam respectively. From the review, it was known that the method for changing the water flow is selected based on the data from geological and geo-hydraulic site investigation in order to mitigate environmental effects by making sure if the design cross-sectional area of flow and maximum working days are sufficiently guaranteed. Finally, the primary findings and main conclusion derived are summarized that determination of applicable type of cofferdam should be checked by case study and meet design requirements such as water inflow control, constructability.
Jaramillo, David;Cabos, Christian;Renard, Philippe
International Journal of CAD/CAM
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v.6
no.1
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pp.9-17
/
2006
Performing inspections for Hull Condition Monitoring and Assessment as stipulated in IACS unified requirements and IMO's Condition Assessment Scheme (CAS) IMO Resolution MEPC.94(46), 2001, Condition Assessment Scheme, IMO Resolution MEPC.111(50), 2003, Amendments to regulation 13G, addition of new regulation 13H involves a huge amount of measurement data to be collected, processed, analysed and maintained. Information to be recorded consists of thickness measurements and visual assessment of coating and cracks. The amount of data and increasing requirements with respect to condition assessment demand efficient computer support. Currently, due to the lack of standardization for this kind of data, the thickness measurements are recorded manually on ship drawings or tables. In this form, handling of the measurements is tedious and error-prone and assessment is difficult. Data reporting and analysis takes a long time, leading to some repairs being performed only at the next docking of the ship or making an additional docking necessary. The recently started ED funded project CAS addresses this topic and develops-as a first step-a data model for Hull Condition Monitoring and Assessment (HCMA) based on XML-technology. The model includes simple geometry representation to facilitate a graphically supported data collection as well as an easy visualisation of the measurement results. In order to ensure compatibility with the current way of working, the content of the data model is strictly confined to the requirements of the measurement process. Appropriate data interfaces to classification software will enable rapid assessment by the classification societies, thus improving the process in terms of time and cost savings. In particular, decision-making can be done while the ship is still in the dock for maintenance.
The literary products of Authors Under the Service of the Army during the Korean War have been neglected on the whole because of the perception that they were little more than war propaganda. The majority of the works (poetry, serial novels, and short stories) Published by these authors in various Army publications such as Junsunmunhak (Literature of the War Front) and Comet, as well as in regular literary periodicals, supports this perception. Most of these works convey simplistic emotions and stereotypes that project untroubled patriotism and strongly antipathetic sentiments against to the Communist North. The appointed leader of this group, Dock-Kyun Choi regarded the pen as another form of weapon to be used against the Communists in the North, and did not shy away from describing in graphic details the atrocities committed by his enemies. But what truly deserves our attention is the fact that many of the same authors who wrote highly propagandistic works also wrote works that can only be described as antiwar. In these works are depicted as faithfully as possible the human sufferings of the war. These works resist and even question the very ideologies that have brought about the conflict, focusing instead on the dark side of the war -the horrifying deaths, the separation of families, and the displacement of people from their homes, How we are to interpret this ambivalence in many of these authors is a task that remains to be carried out. We must approach these works with more seriousness and begin by comparing them with similar products from authors under the service of the Navy and the Air Force during the Korean War.
In order to develop the semi-solid forming technology for magnesium alloy the rheological and thixotropic behavior of Mg alloy slurry with varying shear rates and cooling rates was investigated and simulated with considering the viscosity based on microstructures and processing variables. The viscosity of slurry of Mg alloy (AZ91D) in semi-solid region was exponentially increased with a solid fraction, and was decreased with increasing a shear rate. In order to analyze precisely the rheological behavior, the ANYCAST program modified with the Carreau model and the different heat transfer coefficient between the cast and mold was used to simulate the flow behavior of Mg semi-solid slurry during the injection into a casting mold in a high pressure diecasting machine. The simulated rheological behavior of Mg alloy slurry was matched well with the experimental results.
Hariftyani, Arisvia Sukma;Kurniawati, Lady Aqnes;Khaerunnisa, Siti;Veterini, Anna Surgean;Setiawati, Yuani;Awaluddin, Rizki
Natural Product Sciences
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v.27
no.2
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pp.99-114
/
2021
Type 2 diabetes mellitus (T2DM) and its complications are important noncommunicable diseases with high mortality rates. Protein tyrosine phosphatase 1B (PTP1B) and aldose reductase inhibitors are recently approached and advanced for T2DM and its complications therapy. Matricaria chamomilla L. is acknowledged as a worldwide medicinal herb that has many beneficial health effects as well as antidiabetic effects. Our research was designed to determine the most potential antidiabetic phytochemicals from M. chamomilla employing in silico study. 142 phytochemicals were obtained from the databases. The first screening employed iGEMdock and Swiss ADME, involving 93 phytochemicals. Finally, 30 best phytochemicals were docked. Molecular docking and visualization analysis were performed using Avogadro, AutoDock 4.2., and Biovia Discovery Studio 2016. Molecular docking results demonstrate that ligand-protein interaction's binding affinities were -5.16 to -7.54 kcal/mol and -5.30 to -12.10 kcal/mol for PTP1B and aldose reductase protein targets respectively. In silico results demonstrate that M. chamomilla has potential antidiabetic phytochemical compounds for T2DM and its complications. We recommended anthecotulide, quercetin, chlorogenic acid, luteolin, and catechin as antidiabetic agents due to their binding affinities against both PTP1B and aldose reductase protein. Those phytochemicals' significant efficacy and potential as antidiabetic must be investigated in further advanced research.
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