Search results for: natural compound

Authors: Shweta Verma

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Background: Epilepsy is a chronic non-communicable central nervous system (CNS) disorder which affects a large population of all ages. Different classes of drugs are used for the treatment of this neurological disorder, but due to augmented drug resistance and side effects, these drugs become incompetent. Therefore, we design the synthesis of ten new derivatives of Phenytoin. The moiety of Phenytoin was hybridized with different phenols by using three step approach. The synthesized molecules were then investigated for different physicochemical parameters, such as Log P values using diverse software programs and to predict the potential to cross the blood-brain barrier. Objective: The Phenytoin derivatives were designed, synthesized, and characterized to meet the structural necessities indispensable for antiepileptic activity. Method: Firstly, the chloroacetylation of the 5,5-diphenyl hydantoin was carried out, and then various substituted phenols were added to it. The synthesized compounds were characterized and evaluated for antianxiety activity by elevated plus maze method and antiepileptic activity by using subcutaneous pentylenetetrazole (scPTZ) and maximal electroshock (MES) models and neurotoxicity. Result: The number of derivatives of 5,5-diphenyl hydantoin was developed and optimized. The number of parameters was optimized which reveal that the compound containing chloro group such as C3 and C6 showed imperative potential when compared with the standard drug Diazepam. Other compounds containing nitro and methyl group were also found to possess activity. Conclusion: It was summarized that the new compounds of 5,5-diphenyl hydantoin derivatives were synthesized. The results of the data show that the compound containing chloro group is more potent for CNS activity. The new compounds have the probability of being optimized further to engender new scaffolds to treat various CNS disorders.

Keywords: phenytoin, parameters, CNS activity, blood-brain barrier, Log P, CNS active

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Authors: T. Varazi, M. Pruidze, M. Kurashvili, N. Gagelidze, M. Sutton

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The complex phytoremediation approach given in the presented work implies joint application of natural sorbents, microorganisms, natural biosurfactants and plants. The approach is based on using the natural mineral composites, microorganism strains with high detoxification abilities, plants-phytoremediators and natural biosurfactants for enhancing the uptake of intermediates of pollutants by plant roots. In this complex strategy of phytoremediation technology, the sorbent serves to uptake and trap the pollutants and thus restrain their emission in the environment. The role of microorganisms is to accomplish the first stage biodegradation of organic contaminants. This is followed by application of a phytoremediation technology through purposeful planting of selected plants. Thus, using of different tools will provide restoration of polluted environment and prevention of toxic compounds’ dissemination from hotbeds of pollution for a considerable length of time. The main idea and novelty of the carried out work is the development of a new approach for the ecological safety. The wide spectrum of contaminants: Organochlorine pesticide – DDT, heavy metal –Cu, oil hydrocarbon (hexadecane) and wax have been used in this work. The presented complex biotechnology is important from the viewpoint of prevention, providing total rehabilitation of soil. It is unique to chemical pollutants, ecologically friendly and provides the control of erosion of soils.

Keywords: bioremediation, phytoremediation, pollutants, soil contamination

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Authors: Rashad A. Al-Salahi, Mohamed S. Marzouk

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Aiming to the synthesis of bioactive triazoloquinazolines, a new series of 2-(methylthio)benzo [g]-[1,2,4] triazolo [1,5-a] quinazolin-5(4H)-ones was synthesized from 2-(methylthio)benzo [g]-[1,2,4] triazolo [1,5-a] quinazolin-5(4H)-one. All synthesized derivatives based on N-alkylation and chlorination of the parent compound and its salfonyl derivative. The success of the reactions was proved by NMR, IR, and HREI-MS analyses for all products.

Keywords: triazoloquinazoline, alkylation, thionation, quinazolin

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Authors: Muhammad A. Muhammad

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Butenafine (N-4-tert-butyl benzyl-N-methyl-1-naphthylene methylamine hydrochloride) is a benzylamine antimycotic (antifungal) agent that has a broad spectrum of action. The quest for improved antimycotic action brought about many research on the structure-activity properties of butenafine in relation to other antifungal agents. Of all those research, only little or no effort was recorded on the substituents attached to the aromatic systems in butenafine. In this research, N-(4-(tert-butyl) benzyl)-1-(4-tert-butyl) phenyl)-N-methyl methanaminium chloride, which is a butenafine analogue was synthesised from tert-butyl benzyl derivatives, by reductive amination using various solvents through a direct approach, where 1,2-dichloroethane gave the best solvent action at 40 °C (Yield: 75%) and of all the reducing agents used, sodium borohydride was found to give the best reducing action in the presence of silica chloride at room temperature (Yield: 50%). Characterization of the compound by 1H NMR showed a singlet peak of 18 hydrogen atoms with a chemical shift at 1.3-1.5 ppm for the presence of 6 methyl groups in the two tert-butyl substituents, the 13C NMR also indicated the presence of the two tert-butyl substituents by the peak with a chemical shift at 31-32 ppm for the six methyl carbon atoms, the IR indicated the presence of a tertiary ammonium ion by a strong band at 2460 cm-1 and finally the EIS-MS confirmed the molar mass of the compound by a mass to charge ratio of 324.2693. These results suggested that the target molecule was actually synthesised and therefore, 1,2-dichloroethane is a good solvent for this synthesis, and the most suitable reducing agent is sodium borohydride.

Keywords: antimicrobial agents, antimycotic agents, butenafine, chemotherapeutic agents, semisynthetic agents

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Authors: H. Golchoobian, S. Saedodin, M. H. Taheri, A. Sarafraz

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In this paper, natural convection in an attic is numerically investigated. The geometry of the problem is considered to be a triangular enclosure. ANSYS Fluent software is used for modeling and numerical solution. This study is for steady state. Four right-angled triangles with height to base ratios of 2, 1, 0.5 and 0.25 are considered. The behavior of various parameters related to its performance, including temperature distribution and velocity vectors are evaluated, and graphs for the Nusselt number have been drawn. Also, in this study, the effect of geometric shape of enclosure with different height-to-base ratios has been evaluated for three types of boundary conditions of winter, summer day and one another state. It can be concluded that as the bottom side temperature and ratio of base to height of the enclosure increases, the convective effects become more prominent and circulation happened.

Keywords: enclosure, natural convection, numerical solution, Nusselt number, triangular

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Authors: Carlos Alberto Ríos Reyes, Andrés Felipe Mejía Durán, Oscar Mauricio Castellanos Alarcón

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There is no doubt of great importance to make it known that planet Earth is an entity in constant change and transformation; processes such as construction and destruction are part of the evolution of the territory. Geoeducation workshops represent a significant contribution to the search for educational projects focused on teaching relevant geoscience topics to make natural threats known in schools through recreational and didactic activities. This initiative represents an educational alternative that must be developed with the participation of primary and secondary schools, universities, and local communities. The methodology is based on several phases, which include: diagnosis to know the best teaching method for basic concepts and establish a starting point for the topics to be taught, as well as to identify areas and concepts that need to be reinforced and/or deepened; design of activities that involve all students regardless of their ability or level; use of accessible materials and experimentation to support clear and concise explanations for all students; adaptation of the teaching-learning process to individual needs; sensitization about natural threats; and evaluation and feedback. It is expected to offer a series of activities and materials as a significant contribution to the search for educational projects focused on teaching relevant geoscientific topics such as natural threats associated with earthquakes, volcanic eruptions, floods, landslides, etc. The major findings of this study are the pedagogical strategies that primary and secondary school teachers can appropriate to face the challenge of transferring geological knowledge and to advise decision-makers and citizens on the importance of geosciences for daily life. We conclude that the knowledge of the natural threats to our planet is very important to contribute to mitigating their risk.

Keywords: workshops, geoeducation, curriculum, geosciences, natural threats

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Authors: Michalina Aniola, Andrzej Katrusiak

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4,4-Bipyridine is an important compound often used in chemical practice and more recently frequently applied for designing new metal organic framework (MoFs). Here we present a systematic high-pressure study of its hydrobromide salt. 4,4-Bipyridine hydrobromide monohydrate, 44biPyHBrH₂O, at ambient-pressure is orthorhombic, space group P212121 (phase a). Its hydrostatic compression shows that it is stable to 1.32 GPa at least. However, the recrystallization above 0.55 GPa reveals a new hidden b-phase (monoclinic, P21/c). Moreover, when the 44biPyHBrH2O is heated to high temperature the chemical reactions of this compound in methanol solution can be observed. High-pressure experiments were performed using a Merrill-Bassett diamond-anvil cell (DAC), modified by mounting the anvils directly on the steel supports, and X-ray diffraction measurements were carried out on a KUMA and Excalibur diffractometer equipped with an EOS CCD detector. At elevated pressure, the crystal of 44biPyHBrH₂O exhibits several striking and unexpected features. No signs of instability of phase a were detected to 1.32 GPa, while phase b becomes stable at above 0.55 GPa, as evidenced by its recrystallizations. Phases a and b of 44biPyHBrH2O are partly isostructural: their unit-cell dimensions and the arrangement of ions and water molecules are similar. In phase b the HOH-Br- chains double the frequency of their zigzag motifs, compared to phase a, and the 44biPyH+ cations change their conformation. Like in all monosalts of 44biPy determined so far, in phase a the pyridine rings are twisted by about 30 degrees about bond C4-C4 and in phase b they assume energy-unfavorable planar conformation. Another unusual feature of 44biPyHBrH2O is that all unit-cell parameters become longer on the transition from phase a to phase b. Thus the volume drop on the transition to high-pressure phase b totally depends on the shear strain of the lattice. Higher temperature triggers chemical reactions of 44biPyHBrH2O with methanol. When the saturated methanol solution compound precipitated at 0.1 GPa and temperature of 423 K was required to dissolve all the sample, the subsequent slow recrystallization at isochoric conditions resulted in disalt 4,4-bipyridinium dibromide. For the 44biPyHBrH2O sample sealed in the DAC at 0.35 GPa, then dissolved at isochoric conditions at 473 K and recrystallized by slow controlled cooling, a reaction of N,N-dimethylation took place. It is characteristic that in both high-pressure reactions of 44biPyHBrH₂O the unsolvated disalt products were formed and that free base 44biPy and H₂O remained in the solution. The observed reactions indicate that high pressure destabilized ambient-pressure salts and favors new products. Further studies on pressure-induced reactions are carried out in order to better understand the structural preferences induced by pressure.

Keywords: conformation, high-pressure, negative area compressibility, polymorphism

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Authors: Belkacem Ould Said, Nourddine Retiel, Abdelilah Benazza, Mohamed Aichouni

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In this paper, a numerical study of two-dimensional steady flow has been made of natural convection in a differentially heated vertical conical partially annular space. The heat transfer is assumed to take place by natural convection. The inner and outer surfaces of annulus are maintained at uniform wall temperature. The annulus is filled with air. The CFD FLUENT12.0 code is used to solve the governing equations of mass, momentum and energy using constant properties and the Boussinesq approximation for density variation. The streamlines and the isotherms of the fluid are presented for different annuli with different boundary conditions and Rayleigh numbers. Emphasis is placed on the influences of the height of the inner vertical cone on the flow and the temperature fields. In addition, the effects on the heat transfer are discussed for various values of physical parameters of the fluid and geometric parameters of the annulus. The heat transfer on the hot walls of the annulus is also calculated in order to make comparisons between the cylinder annulus for boundary conditions and several Rayleigh numbers. A good agreement of Nusselt number has been found between the present predictions and reference from the literature data.

Keywords: natural convection, heat transfer, numerical simulation, conical partially, annular space

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Authors: Gajanan M. Sonwane

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The computational studies on 2-phenazinamines with their protein targets have been carried out to design compounds with potential anticancer activity. This strategy of designing compounds possessing selectivity over specific tyrosine kinase has been achieved through G-QSAR and molecular docking studies. The objective of this research has been to design newer 2-phenazinamine derivatives as Bcr-Abl tyrosine kinase inhibitors by G-QSAR, molecular docking studies followed by wet-lab studies along with evaluation of their anticancer potential. Computational chemistry was done by using VLife MDS 4.3 and Autodock 4.2 followed by wet-lab experiments for synthesizing 2-phenazinamine derivatives. The chemical structures of ligands in 2D were drawn by employing Chemdraw 2D Ultra 8.0 and were converted into 3D. These were optimized by using a semi-empirical method called MOPAC. The protein structure was retrieved from RCSC protein data bank as a PDB file. The binding interactions of protein and ligands were done by using PYMOL. The molecular properties of the designed compounds were predicted in silico by using Osiris property explorer. The parent compound 2-phenazinamine was synthesized by reduction of 2, 4-dinitro-N-phenyl-benzenamine in the presence of tin chloride followed by cyclization in the presence of nitrobenzene and magnesium sulfate. The derivatization at the amino function of 2-phenazinamine was performed by treating parent compound with various aldehydes in the presence of dicyclohexylcarbodiimide (DCC) and urea to afford 2-(2-chlorophenyl)-3-(phenazine-2-yl) thiazolidine-4-one. Synthesized 39 novel derivatives of 2-phenazinamine and performed antioxidant activity, anti antiproliferative on the bulb of onion and anticancer activity on cell line showing significant competition with marked blockbuster drug imatinib.

Keywords: computer-aided drug design, tyrosin kinases, anticancer, docking

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Authors: N. Prabavathy, R. Balasundaraprabhu, S. Shalini, Dhayalan Velauthapillai, S. Prasanna, N. Muthukumarasamy

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Dye sensitized solar cell (DSSC) has become a significant research area due to their fundamental and scientific importance in the area of energy conversion. Synthetic dyes as sensitizer in DSSC are efficient and durable but they are costlier, toxic and have the tendency to degrade. Natural sensitizers contain plant pigments such as anthocyanin, carotenoid, flavonoid, and chlorophyll which promote light absorption as well as injection of charges to the conduction band of TiO2 through the sensitizer. But, the efficiency of natural dyes is not up to the mark mainly due to instability of the pigment such as anthocyanin. The stability issues in vitro are mainly due to the effect of solvents on extraction of anthocyanins and their respective pH. Taking this factor into consideration, in the present work, the anthocyanins were extracted from the flower Caesalpinia pulcherrima (C. pulcherrimma) with various solvents and their respective stability and pH values are discussed. The usage of citric acid as solvent to extract anthocyanin has shown good stability than other solvents. It also helps in enhancing the sensitization properties of anthocyanins with Titanium dioxide (TiO2) nanorods. The IPCE spectra show higher photovoltaic performance for dye sensitized TiO2nanorods using citric acid as solvent. The natural DSSC using citric acid as solvent shows a higher efficiency compared to other solvents. Hence citric acid performs to be a safe solvent for natural DSSC in boosting the photovoltaic performance and maintaining the stability of anthocyanins.

Keywords: Caesalpinia pulcherrima, citric acid, dye sensitized solar cells, TiO₂ nanorods

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Authors: Pooya Lotfabadi

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In today's world, sustainability is a critical concern, particularly in the building industry, which is a significant contributor to energy consumption. Buildings must be considered in relation to their urban surroundings, highlighting the importance of collaboration between architecture and urban design. Natural light plays a vital role in enhancing a building's thermal and visual comfort and promoting the well-being of outdoor residents. Therefore, architects and urban designers are responsible for maximizing sunlight exposure in urban settings. Key factors such as building height and orientation are essential for optimizing natural light. Without proper attention, standalone projects can negatively affect their urban environment. Regulations like the Sky Exposure Plane- a virtual sloping plane that determines minimum building heights and spacing- serve as effective tools for guiding urban development. This study aims to define the Sky Exposure Plane in public open spaces, proposing an optimal angle for buildings on Gulseren Street in Famagusta, North Cyprus. Utilizing computer simulations, the research examines the role of sunlight in public streets and offers guidelines to improve natural lighting in urban planning.

Keywords: public open space, sky exposure plane, street natural lighting, sustainable urban design

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Authors: Samia Hachemi, Abdelhafid Ounis, W. Heriheri

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This paper presents an experimental investigation of high temperatures applied to normal and high performance concrete made with natural coarse aggregates. The experimental results of physical and mechanical properties were compared with those obtained with recycled brick aggregates produced by replacing 30% of natural coarse aggregates by recycled brick aggregates. The following parameters: compressive strength, concrete mass loss, apparent density and water porosity were examined in this experiment. The results show that concrete could be produced by using recycled brick aggregates and reveals that at high temperatures recycled aggregate concrete preformed similar or even better than natural aggregate concrete.

Keywords: high temperature, compressive strength, mass loss, recycled brick aggregate

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Authors: Selin Küçük

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Pre-industrial architecture is integration of natural and subsequent properties by intelligence and experience. Since various settlements relatively industrialized or non-industrialized at any time, ‘pre-industrial’ term does not refer to a definite time. Natural properties, which are existent conditions and materials in natural local environment, are climate, geomorphology and local materials. Subsequent properties, which are all anthropological comparatives, are culture of societies, requirements of people and construction techniques that people use. Yet, after industrialization, technology took technique’s place, cultural effects are manipulated, requirements are changed and local/natural properties are almost disappeared in architecture. Technology is universal, global and expands simply; conversely technique is time and experience dependent and should has a considerable cultural background. This research is about construction techniques according to natural properties of a region and classification of these techniques. Understanding local architecture is only possible by searching its background which is hard to reach. There are always changes in positive and negative in architectural techniques through the time. Archaeological layers of a region sometimes give more accurate information about transformation of architecture. However, natural properties of any region are the most helpful elements to perceive construction techniques. Many international sources from different cultures are interested in local architecture by mentioning natural properties separately. Unfortunately, there is no literature deals with this subject as far as systematically in the correct way. This research aims to improve a clear perspective of local architecture existence by categorizing archetypes according to natural properties. The ultimate goal of this research is generating a clear classification of local architecture independent from subsequent (anthropological) properties over the world such like a handbook. Since local architecture is the most sustainable architecture with refer to its economic, ecologic and sociological properties, there should be an excessive information about construction techniques to be learned from. Constructing the same buildings in all over the world is one of the main criticism of modern architectural system. While this critics going on, the same buildings without identity increase incrementally. In post-industrial term, technology widely took technique’s place, yet cultural effects are manipulated, requirements are changed and natural local properties are almost disappeared in architecture. These study does not offer architects to use local techniques, but it indicates the progress of pre-industrial architectural evolution which is healthier, cheaper and natural. Immigration from rural areas to developing/developed cities should be prohibited, thus culture and construction techniques can be preserved. Since big cities have psychological, sensational and sociological impact on people, rural settlers can be convinced to not to immigrate by providing new buildings designed according to natural properties and maintaining their settlements. Improving rural conditions would remove the economical and sociological gulf between cities and rural. What result desired to arrived in, is if there is no deformation (adaptation process of another traditional buildings because of immigration) or assimilation in a climatic region, there should be very similar solutions in the same climatic regions of the world even if there is no relationship (trade, communication etc.) among them.

Keywords: climate zones, geomorphology, local architecture, local materials

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Authors: Rafik Ouared

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The purpose of this paper is to invalidate decisions made by the Islamic conference led at Istanbul in 2016, which had defined two basic criteria to determine the start of the lunar month: (1)they are all based on the sighting of the crescent, be it observed or computed with modern methods, and (2) they've strongly recommended the adoption of the principle of 'unification of sighting', by which any occurrence of sighting anywhere would be applicable everywhere. To demonstrate the invalidation of those statements, a survey of 101 years of data, from 1938 to 2038, have been analyzed to compare the probability density function (PDF) of time difference between different types of fajr and new moon. Two groups of fajr have been considered: the 'natural fajr', which is the very first fajr following new moon, and the 'biased fajr', which is defined by human being inclusively of all chosen definitions. The parametric and non-parametric statistical comparisons between the different groups have shown the all the biased PDFs are significantly different from the unbiased (natural) PDF with probability value (p-value) less than 0.001. The significance level was fixed to 0.05. Conclusion: the on-going reference to sighting of crescent is inducing an significant bias in defining lunar calendar. Therefore, 'natural' calendar would be more applicable requiring a more contextualized revision of issue in fiqh.

Keywords: biased fajr, lunar calendar, natural fajr, probability density function, sighting of crescent, time difference between fajr and new moon

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Authors: Zainab Yahaya Suleiman

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Physical fitness, as one of the most important keys to a healthy wellbeing, is the basis of dynamic and creative intellectual activity. As a result, the fitness world is expanding every day. It is believed that a fitness centre is a place of healing and also the natural environment is vital to speedy recovery. The aim of this paper is to propose and designs a suitable location for a fitness centre in Batagarawa metropolis. Batagarawa city is enriched with four tertiary institutions with diverse commerce and culture but lacks the facility of a well-equipped fitness centre. The proposed fitness centre intends to be an organically sound centre that will make use of principles of organic architecture to create a new pleasant environment between man and his environments. Organic architecture is the science of designing a building within pleasant natural resources and features surrounding the environment. It is regarded as visual poetry and reinterpretation of nature’s principles; as well as embodies a settlement of person, place, and materials. Using organic architecture, the design was interlaced with the dynamic, organic and monumental features surrounding the environment. The city has inadequate/no facility that is considered organic where one can keep fit in a friendly, conducive and adequate location. Thus, the need for establishing a fitness centre to cater for this need cannot be over-emphasised. Conclusively, a fitness centre will be an added advantage to this fast growing centre of learning.

Keywords: organic architecture, fitness center, environment, natural resources, natural features, building design

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Authors: Dalvir Kataria, Khushminder Kaur Chahal, Amit Kumar

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The carrot seed essential oil was obtained by hydrodistillation. Hexane, dichloromethane, and methanol solvents were used for extraction of carrot seed by Soxhlet extraction methods. The major and minor compounds identified in carrot seed essential oil were carotol (52.73), daucol (5.10), daucene (5.68), (E)-β-farnesene (5.40), β-cubebene (3.19), longifolenaldehyde (3.23), β-elimene (3.23), (E)-caryophyllene (1.22), β-bisabolene (2.95) etc. The chemical composition of hexane, dichloromethane, and methanol extracts was different. Carotol was the common compound present. Major compounds isolated were from the carrot seed essential oil by column chromatography. Chemical transformations of carotol (2) with mercuric acetate/sodium borohydride, dry hydrochloric acid gas, acetonitrile/sulfuric acid, selenium dioxide/t-butyl hydrogen peroxide, N-bromosuccinimide, hydrogen iodide, and phenol were carried out. The derivatives of carotol were designed to explore the significance of some structural modifications in relation to antioxidant activities. The structures of major compounds and derivatives were confirmed on the basis of FT-IR, 1HNMR and 13CNMR spectroscopy. Antioxidant activity of carrot seed essential oil, various extracts and isolated compounds were tested by in vitro models involving 2, 2-diphenyl-1-picrylhydrazyl (DPPH•), hydroxyl (OH•), nitric oxide (NO•), superoxide radical scavenging methods and ferric reducing antioxidant power assay (FRAP). Chemical transformations of major isolated compound carotol were carried out, and antioxidant activity of all compounds was undertaken. The major sesquiterpenoidcarotol isolated from carrot seed essential oil showed the highest antioxidant activity in all the methods. The methanol extract showed higher antioxidant potential as compared to carrot seed essential oil, hexane, and dichloromethane extracts.

Keywords: antioxidant, carotol, carrot, DPPH

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Authors: Amir Asadi, Karim Habib, Robert J. Moon, Kyriaki Kalaitzidou

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There has been considerable interest in cellulose nanomaterials (CN) as polymer and polymer composites reinforcement due to their high specific modulus and strength, low density and toxicity, and accessible hydroxyl side groups that can be readily chemically modified. The focus of this study is making lightweight composites for better fuel efficiency and lower CO2 emission in auto industries with no compromise on mechanical performance using a scalable technique that can be easily integrated in sheet molding compound (SMC) manufacturing lines. Light weighting will be achieved by replacing part of the heavier components, i.e. glass fibers (GF), with a small amount of cellulose nanocrystals (CNC) in short GF/epoxy composites made using SMC. CNC will be introduced as coating of the GF rovings prior to their use in the SMC line. The employed coating method is similar to the fiber sizing technique commonly used and thus it can be easily scaled and integrated to industrial SMC lines. This will be an alternative route to the most techniques that involve dispersing CN in polymer matrix, in which the nanomaterials agglomeration limits the capability for scaling up in an industrial production. We have demonstrated that incorporating CNC as a coating on GF surface by immersing the GF in CNC aqueous suspensions, a simple and scalable technique, increases the interfacial shear strength (IFSS) by ~69% compared to the composites produced by uncoated GF, suggesting an enhancement of stress transfer across the GF/matrix interface. As a result of IFSS enhancement, incorporation of 0.17 wt% CNC in the composite results in increases of ~10% in both elastic modulus and tensile strength, and 40 % and 43 % in flexural modulus and strength respectively. We have also determined that dispersing 1.4 and 2 wt% CNC in the epoxy matrix of short GF/epoxy SMC composites by sonication allows removing 10 wt% GF with no penalty on tensile and flexural properties leading to 7.5% lighter composites. Although sonication is a scalable technique, it is not quite as simple and inexpensive as coating the GF by passing through an aqueous suspension of CNC. In this study, the above findings are integrated to 1) investigate the effect of CNC content on mechanical properties by passing the GF rovings through CNC aqueous suspension with various concentrations (0-5%) and 2) determine the optimum ratio of the added CNC to the removed GF to achieve the maximum possible weight reduction with no cost on mechanical performance of the SMC composites. The results of this study are of industrial relevance, providing a path toward producing high volume lightweight and mechanically enhanced SMC composites using cellulose nanomaterials.

Keywords: cellulose nanocrystals, light weight polymer-matrix composites, mechanical properties, sheet molding compound (SMC)

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Authors: Ozge Nilay Yalcin

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Dialogue has been proposed to be the natural basis for the human-computer interaction, which is behaviorally rich and includes different modalities such as gestures, posture changes, gaze, para-linguistic parameters and linguistic context. However, equipping the system with these capabilities might have consequences on the usability of the system. One issue is to be able to find a good balance between rich behavior and fluent behavior, as planning and generating these behaviors is computationally expensive. In this work, we propose a multi-modal dialogue management system that automates the conversational flow from text-based dialogue examples and uses synchronized verbal and non-verbal conversational cues to achieve a fluent interaction. Our system is integrated with Smartbody behavior realizer to provide real-time interaction with embodied agent. The nonverbal behaviors are used according to turn-taking behavior, emotions, and personality of the user and linguistic analysis of the dialogue. The verbal behaviors are responsive to the emotional value of the utterance and the feedback from the user. Our system is aimed for online planning of these affective multi-modal components, in order to achieve enhanced user experience with richer and more natural interaction.

Keywords: affect, embodied conversational agents, human-agent interaction, multimodal interaction, natural interfaces

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Authors: Dong-Gyu Leem, Ji-Sun Shin, Sang Yoon Choi, Kyung-Tae Lee

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In this study, we focused on the anti-proliferative effects of panaxydol, a C17 polyacetylenic compound derived from Panax ginseng roots, against various human cancer cells. We treated with panaxydol to various cancer cells and panaxydol treatment was found to significantly inhibit the proliferation of human lung cancer cells (A549) and human pancreatic cancer cells (AsPC-1 and MIA PaCa-2), of which AsPC-1 cells were most sensitive to its treatment. DNA flow cytometric analysis indicated that panaxydol blocked cell cycle progression at the G1 phase in A549 cells, which accompanied by a parallel reduction of protein expression of cyclin-dependent kinase (CDK) 2, CDK4, CDK6, cyclin D1 and cyclin E. CDK inhibitors (CDKIs), such as p21CIP1/WAF1 and p27KIP1, were gradually upregulated after panaxydol treatment at the protein levels. Furthermore, panaxydol induced the activation of p53 in A549 cells. In addition, panaxydol also induced apoptosis of AsPC-1 and MIA PaCa-2 cells, as shown by accumulation of subG1 and apoptotic cell populations. Panaxydol triggered the activation of caspase-3, -8, -9 and the cleavage of poly (ADP-ribose) polymerase (PARP). Reduction of mitochondrial transmembrane potential by panaxydol was determined by staining with dihexyloxacarbocyanine iodide. Furthermore, panaxydol suppressed the levels of anti-apoptotic proteins, XIAP and Bcl-2, and increased the levels of proapoptotic proteins, Bax and Bad. In addition, panaxydol inhibited the activation of Akt and extracellular signal-regulated kinase (ERK) and activated the p38 mitogen-activated protein kinase kinase (MAPK). Our results suggest that panaxydol is an anti-tumor compound that causes p53-mediated cell cycle arrest and apoptosis via mitochondrial apoptotic pathway in various cancer cells.

Keywords: apoptosis, cancer, G1 arrest, panaxydol

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Authors: Zhengrong Wu, Haibo Yang

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In the context of escalating global climate change and environmental degradation, the complexity and frequency of natural disasters are continually increasing. Confronted with an abundance of information regarding natural disasters, traditional knowledge graph construction methods, which heavily rely on grammatical rules and prior knowledge, demonstrate suboptimal performance in processing complex, multi-source disaster information. This study, drawing upon past natural disaster reports, disaster-related literature in both English and Chinese, and data from various disaster monitoring stations, constructs question-answer templates based on large language models. Utilizing the P-Tune method, the ChatGLM2-6B model is fine-tuned, leading to the development of a disaster knowledge graph based on large language models. This serves as a knowledge database support for disaster emergency response.

Keywords: large language model, knowledge graph, disaster, deep learning

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Authors: B. Razmi, F. Rafiee, M. Baziar, A. Saeedi Azizkandi

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In the present research, a series of 3-D finite element numerical modeling was performed to study the effect of system frequency and excitation specifications on the internal forces of the piled raft (PR) system in a dry sand layer. The results of numerical simulations were first compared with those associated with centrifuge tests. The natural frequency of superstructure, modeled on the piled raft foundation, was smaller than the natural frequency of the fixed-base super-structure. This difference was greater for super-structures with higher frequencies. In PR systems, the excitation with a frequency close to the system frequency produced the largest responses. Furthermore, based on the results of presented numerical analyses, ignoring the interactions and characteristics of all components of a pile-raft-structure, may lead to highly uneconomical design.

Keywords: centrifuge test, excitation frequency, natural frequency of super-structure, piled raft foundation, 3-D finite element model

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Authors: Vagolu S. Krishna, Shan Zheng, Estharla M. Rekha, Luke W. Guddat, Dharmarajan Sriram

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Tuberculosis (TB) remains a major threat to human health. This due to the fact that current drug treatments are less than optimal as well as the rising occurrence of multi drug-resistant and extensively drug-resistant strains of the etiological agent, Mycobacterium tuberculosis (Mt). Given the wide-spread significance of this disease, we have undertaken a design and evaluation program to discover new anti-TB drug leads. Here, our attention is focused on ketol-acid reductoisomerase (KARI), the second enzyme in the branched-chain amino acid biosynthesis pathway. Importantly, this enzyme is present in bacteria but not in humans, making it an attractive proposition for drug discovery. In the present work, we used high-throughput virtual screening to identify seventeen potential inhibitors of KARI using the Birla Institute of Technology and Science in-house database. Compounds were selected based on high docking scores, which were assigned as the result of favourable interactions between the compound and the active site of KARI. The Ki values for two leads, compounds 14 and 16 are 3.71 and 3.06 µM, respectively for Mt KARI. To assess the mode of binding, 100 ns molecular dynamics simulations for these two compounds in association with Mt KARI were performed and showed that the complex was stable with an average RMSD of less than 2.5 Å for all atoms. Compound 16 showed an MIC of 2.06 ± 0.91 µM and a 1.9 fold logarithmic reduction in the growth of Mt in an infected macrophage model. The two compounds exhibited low toxicity against murine macrophage RAW 264.7 cell lines. Thus, both compounds are promising candidates for development as an anti-TB drug leads.

Keywords: ketol-acid reductoisomerase, macrophage, molecular docking and dynamics, tuberculosis

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Authors: Julio Jesus Salazar, Max Jesus De Lama

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The challenges of water management are aggravated by global change, which implies high complexity and associated uncertainty; water management is difficult because water networks cross domains (natural, societal, and political), scales (space, time, jurisdictional, institutional, knowledge, etc.) and levels (area: patches to global; knowledge: a specific case to generalized principles). In this context, we need to apply natural and non-natural measures to manage water and soil. The Basin Management Methodology considers multifunctional measures of natural water retention and erosion control and soil formation to protect water resources and address the challenges related to the recovery or conservation of the ecosystem, as well as natural characteristics of water bodies, to improve the quantitative status of water bodies and reduce vulnerability to floods and droughts. This method of water management focuses on the positive impacts of the chemical and ecological status of water bodies, restoration of the functioning of the ecosystem and its natural services; thus, contributing to both adaptation and mitigation of climate change. This methodology was applied in 7 interventions in the sub-basin of the Shullcas River in Huancayo-Junín-Peru, obtaining great benefits in the framework of the participation of alliances of actors and integrated planning scenarios. To implement the methodology in the sub-basin of the Shullcas River, a process called Climate Smart Territories (CST) was used; with which the variables were characterized in a highly complex space. The diagnosis was then worked using risk management and adaptation to climate change. Finally, it was concluded with the selection of alternatives and projects of this type. Therefore, the CST approach and process face the challenges of climate change through integrated, systematic, interdisciplinary and collective responses at different scales that fit the needs of ecosystems and their services that are vital to human well-being. This methodology is now replicated at the level of the Mantaro river basin, improving with other initiatives that lead to the model of a resilient basin.

Keywords: climate-smart territories, climate change, ecosystem services, natural measures, Climate Smart Territories (CST) approach

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Authors: Sunny Arora, Meghal A. Desai

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An impetus towards green consumerism and implementation of sustainable techniques, consumption of natural products and utilization of environment friendly techniques have gained accelerated acceptance. Butein, a natural colorant, has many medicinal properties apart from its use in dyeing industries. Extraction of butein from the flowers of flame of forest was carried out using ultrasonication bath. Solid loading (2-6 g), extraction time (30-50 min), volume of solvent (30-50 mL) and types of solvent (methanol, ethanol and water) have been studied to maximize the yield of butein using the Taguchi method. The highest yield of butein 4.67% (w/w) was obtained using 4 g of plant material, 40 min of extraction time and 30 mL volume of methanol as a solvent. The present method provided a greater reduction in extraction time compared to the conventional method of extraction. Hence, the outcome of the present investigation could further be utilized to develop the method at a higher scale.

Keywords: butein, flowers of Flame of the Forest, Taguchi method, ultrasonic bath

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Authors: Md. Jahidul Islam, A. K. M. Rakinul Islam, M. Salamah Meherier

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This study investigates the suitability of using plastic, such as polyethylene terephthalate (PET), as a partial replacement of natural coarse and fine aggregates (for example, brick chips and natural sand) to produce lightweight concrete for load bearing structural members. The plastic coarse aggregate (PCA) and plastic fine aggregate (PFA) were produced from melted polyethylene terephthalate (PET) bottles. Tests were conducted using three different water–cement (w/c) ratios, such as 0.42, 0.48, and 0.57, where PCA and PFA were used as 50% replacement of coarse and fine aggregate respectively. Fresh and hardened properties of concrete have been compared for natural aggregate concrete (NAC), PCA concrete (PCC) and PFA concrete (PFC). The compressive strength of concrete at 28 days varied with the water–cement ratio for both the PCC and PFC. Between PCC and PFC, PFA concrete showed the highest compressive strength (23.7 MPa) at 0.42 w/c ratio and also the lowest compressive strength (13.7 MPa) at 0.57 w/c ratio. Significant reduction in concrete density was mostly observed for PCC samples, ranging between 1977–1924 kg/m³. With the increase in water–cement ratio PCC achieved higher workability compare to both NAC and PFC. It was found that both the PCA and PFA contained concrete achieved the required compressive strength to be used for structural purpose as partial replacement of the natural aggregate; but to obtain the desired lower density as lightweight concrete the PCA is most suited.

Keywords: polyethylene terephthalate, plastic aggregate, concrete, fresh and hardened properties

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Authors: Katarina Lazarević, Mirjana Todosijević, Tijana Vulević, Natalija Momirović, Ranka Erić

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Due to increasing demand, climate change, and world population growth, natural resources are getting exploit fast. One of the most important natural resources is soil, which is susceptible to degradation. Erosion as one of the forms of land degradation is also one of the most global environmental problems. Ecosystem services are often defined as benefits that nature provides to humankind. Soil, as the foundation of basic ecosystem functions, provides benefits to people, erosion control, water infiltration, food, fuel, fibers… This research is using the ecosystem approach as a strategy for natural resources management for promoting sustainability and conservation. The research was done on the Topčiderska River basin (Belgrade, Serbia). The InVEST Sediment Delivery Ratio model was used, to quantify erosion intensity with a spatial distribution output map of overland sediment generation and delivery to the stream. InVEST SDR, a spatially explicit model, is using a method based on the concept of hydrological connectivity and (R) USLE model. This, combined with socio-economic and law and policy analysis, gives a full set of information to decision-makers helping them to successfully manage and deliver sustainable ecosystems.

Keywords: ecosystem services, InVEST model, soil erosion, sustainability

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Authors: Joris Zufferey, Roderick John Lawrence

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This paper provides an overview of the state of the art about the positive health impacts of exposure to natural outdoor environments. It presents the results of a “review of reviews” in terms of empirical evidence and identifies some key questions. Finally, the authors stress the need to develop more interdisciplinary and systemic contributions. This synthesis of empirical research has been done as part of the EU- FP7 PHENOTYPE research project.

Keywords: Exposure, environment, phenotype, salutogenic effects

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Authors: Kinza Qadeer, Muhammad Abdul Qyyum, Moonyong Lee

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Natural gas has become an attractive energy source in comparison with other fossil fuels because of its lower CO₂ and other air pollutant emissions. Therefore, compared to the demand for coal and oil, that for natural gas is increasing rapidly world-wide. The transportation of natural gas over long distances as a liquid (LNG) preferable for several reasons, including economic, technical, political, and safety factors. However, LNG production is an energy-intensive process due to the tremendous amount of power requirements for compression of refrigerants, which provide sufficient cold energy to liquefy natural gas. Therefore, one of the major issues in the LNG industry is to improve the energy efficiency of existing LNG processes through a cost-effective approach that is 'optimization'. In this context, a bio-inspired Krill-herd (KH) step-up approach was examined to enhance the energy efficiency of a single mixed refrigerant (SMR) natural gas liquefaction (LNG) process, which is considered as a most promising candidate for offshore LNG production (FPSO). The optimal design of a natural gas liquefaction processes involves multivariable non-linear thermodynamic interactions, which lead to exergy destruction and contribute to process irreversibility. As key decision variables, the optimal values of mixed refrigerant flow rates and process operating pressures were determined based on the herding behavior of krill individuals corresponding to the minimum energy consumption for LNG production. To perform the rigorous process analysis, the SMR process was simulated in Aspen Hysys® software and the resulting model was connected with the Krill-herd approach coded in MATLAB. The optimal operating conditions found by the proposed approach significantly reduced the overall energy consumption of the SMR process by ≤ 22.5% and also improved the coefficient of performance in comparison with the base case. The proposed approach was also compared with other well-proven optimization algorithms, such as genetic and particle swarm optimization algorithms, and was found to exhibit a superior performance over these existing approaches.

Keywords: energy efficiency, Krill-herd, LNG, optimization, single mixed refrigerant

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Authors: Carmen Soria

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The aim of this paper is the study of the cultural and anthropological consequences of the historical natural disasters in Abruzzo (Italy, Central Apennine). These events have left cultural marks in local traditions as well as mythological stories, specific cults, or sanctuary areas in apotropaic function to prevent catastrophic events. Despite the difficult to find archaeological evidence of natural disasters, neverthless, the analisys of micro placenames, directly or indirectly related to such events, represents an integrated and interdisciplinary approach between seismology studies and landscape analysis. Toponymic data, indeed, highlight the strong relation between geomorphological features of areas affected by natural disasters and heritage community resilience, such as, for example, the cult of St. Agatha, widespread in the nearby of healing spring-water and ancient caves as a place of worship, in continuity with pagan rituals.

Keywords: abruzzo, heritage community resilience, seismic planames, St. agata

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Authors: Sheetal Sharma

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Runoff,decreasing water levels and recharge in urban areas have been a complex issue now a days pointing defective urban design and increasing demography as cause. Very less has been discussed or analysed for water sensitive Urban Master Plans or local area plans. Land use planning deals with land transformation from natural areas into developed ones, which lead to changes in natural environment. Elaborated knowledge of relationship between the existing patterns of land use-land cover and recharge with respect to prevailing soil below is less as compared to speed of development. The parameters of incompatibility between urban functions and the functions of the natural environment are becoming various. Changes in land patterns due to built up, pavements, roads and similar land cover affects surface water flow seriously. It also changes permeability and absorption characteristics of the soil. Urban planners need to know natural processes along with modern means and best technologies available,as there is a huge gap between basic knowledge of natural processes and its requirement for balanced development planning leading to minimum impact on water recharge. The present paper analyzes the variations in land use land cover and their impacts on surface flows and sub-surface recharge in study area. The methodology adopted was to analyse the changes in land use and land cover using GIS and Civil 3d auto cad. The variations were used in  computer modeling using Storm-water Management Model to find out the runoff for various soil groups and resulting recharge observing water levels in POW data for last 40 years of the study area. Results were anlayzed again to find best correlations for sustainable recharge in urban areas.

Keywords: geology, runoff, urban planning, land use-land cover

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