G. Shakila, C. Meganathan, N. Sundaraganesan, H. Saleem
Beta-amyloid precursor protein (β-APP) is a membrane-bound glycoprotein. It plays an important role in growth factor and a mediator of cell adhesion. Amyloid precursor protein was cut into small fragments during proteolysis process. The fragments of the fibrillogenic amyloid beta-peptide forms the clumps accumulate on the outer side of brain. It accumulates by stages into microscopic amyloid plaques that are considered one hallmark of brains affected by Alzheimer’s disease. Our effort to finding the small molecule inhibitor of β-APP that reduces the formation of beta amyloid plaque. Computational techniques were employed to find the potent β-APP inhibitor. Chemical feature based pharmacophore model was developed for selectivity of β-APP inhibitors. The best hypothesis (Hypo1) was generated consisting of four chemical features (one hydrogen bond donor, one hydrophobic and two ring aromatic). It has exhibited high correlation co-efficient, cost difference and low RMS value. The well validated model was used as 3D query in the virtual screening to retrieve potential leads for β-APP inhibition. Molecular docking was performed to find suitable orientation of compounds in the protein active site. Two hit compounds retrieved from the chemical database satisfies better chemical, Physical and electronic properties and it could help to design the potent β-APP inhibitors.Beta-amyloid precursor protein (β-APP) is a membrane-bound glycoprotein. It plays an important role in growth factor and a mediator of cell adhesion. Amyloid precursor protein was cut into small fragments during proteolysis process. The fragments of the fibrillogenic amyloid beta-peptide forms the clumps accumulate on the outer side of brain. It accumulates by stages into microscopic amyloid plaques that are considered one hallmark of brains affected by Alzheimer’s disease. Our effort to finding the small molecule inhibitor of β-APP that reduces the formation of beta amyloid plaque. Computational techniques were employed to find the potent β-APP inhibitor. Chemical feature based pharmacophore model was developed for selectivity of β-APP inhibitors. The best hypothesis (Hypo1) was generated consisting of four chemical features (one hydrogen bond donor, one hydrophobic and two ring aromatic). It has exhibited high correlation co-efficient, cost difference and low RMS value. The well validated model was used...
{"title":"Pharmacophore based virtual screening, molecular docking and density functional theory approaches to discover the potent beta-amyloid precursor protein (B-APP) inhibitor","authors":"G. Shakila, C. Meganathan, N. Sundaraganesan, H. Saleem","doi":"10.1063/1.5114592","DOIUrl":"https://doi.org/10.1063/1.5114592","url":null,"abstract":"Beta-amyloid precursor protein (β-APP) is a membrane-bound glycoprotein. It plays an important role in growth factor and a mediator of cell adhesion. Amyloid precursor protein was cut into small fragments during proteolysis process. The fragments of the fibrillogenic amyloid beta-peptide forms the clumps accumulate on the outer side of brain. It accumulates by stages into microscopic amyloid plaques that are considered one hallmark of brains affected by Alzheimer’s disease. Our effort to finding the small molecule inhibitor of β-APP that reduces the formation of beta amyloid plaque. Computational techniques were employed to find the potent β-APP inhibitor. Chemical feature based pharmacophore model was developed for selectivity of β-APP inhibitors. The best hypothesis (Hypo1) was generated consisting of four chemical features (one hydrogen bond donor, one hydrophobic and two ring aromatic). It has exhibited high correlation co-efficient, cost difference and low RMS value. The well validated model was used as 3D query in the virtual screening to retrieve potential leads for β-APP inhibition. Molecular docking was performed to find suitable orientation of compounds in the protein active site. Two hit compounds retrieved from the chemical database satisfies better chemical, Physical and electronic properties and it could help to design the potent β-APP inhibitors.Beta-amyloid precursor protein (β-APP) is a membrane-bound glycoprotein. It plays an important role in growth factor and a mediator of cell adhesion. Amyloid precursor protein was cut into small fragments during proteolysis process. The fragments of the fibrillogenic amyloid beta-peptide forms the clumps accumulate on the outer side of brain. It accumulates by stages into microscopic amyloid plaques that are considered one hallmark of brains affected by Alzheimer’s disease. Our effort to finding the small molecule inhibitor of β-APP that reduces the formation of beta amyloid plaque. Computational techniques were employed to find the potent β-APP inhibitor. Chemical feature based pharmacophore model was developed for selectivity of β-APP inhibitors. The best hypothesis (Hypo1) was generated consisting of four chemical features (one hydrogen bond donor, one hydrophobic and two ring aromatic). It has exhibited high correlation co-efficient, cost difference and low RMS value. The well validated model was used...","PeriodicalId":180693,"journal":{"name":"7TH NATIONAL CONFERENCE ON HIERARCHICALLY STRUCTURED MATERIALS (NCHSM-2019)","volume":"23 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"121450572","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Zinc Oxide (ZnO) have been widely studied due to their wide band gap of ∼3.37eV and thus is a potential candidate for the applications in transparent conducting devices. The influence of aluminum d...
{"title":"Investigation of structural and optical properties of Al:ZnO(AZO)Thin films by sol-gel spin coating method","authors":"S. Leela, A. S. Joshi, S. Monika","doi":"10.1063/1.5114599","DOIUrl":"https://doi.org/10.1063/1.5114599","url":null,"abstract":"Zinc Oxide (ZnO) have been widely studied due to their wide band gap of ∼3.37eV and thus is a potential candidate for the applications in transparent conducting devices. The influence of aluminum d...","PeriodicalId":180693,"journal":{"name":"7TH NATIONAL CONFERENCE ON HIERARCHICALLY STRUCTURED MATERIALS (NCHSM-2019)","volume":"23 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"115621428","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
K. Senthil, R. Gnanadeepam, K. Elangovan, A. Senthil
In the present investigation, single crystals of cyclohexylamine (CHA) doped potassium acid phthalate (KAP) were grown from aqueous solutions by slow evaporation solution technique method at 35 °C temperature. From the structural investigation the change in powder X-ray diffraction intensity patterns was observed due to doping influence and it shows the lattice distortion within resolution limit and confirms that there is no extra phase. The modes of vibration in the crystalline molecules have been identified by FTIR and Raman analysis. Optical transparency of doped crystals were analyzed by allowing the UV-Vis-NIR ray of wavelength between 200 and 1000 nm, which is passes through the grown KAP and CHA doped KAP crystals and the results confirm that doped KAP single crystals shows good transparency in the entire visible region, which is suitable for optical device applications. Mechanical behaviour of pure and doped KAP crystals has been investigated by Vickers microhardness analyzer and hardness parameters have been discussed.In the present investigation, single crystals of cyclohexylamine (CHA) doped potassium acid phthalate (KAP) were grown from aqueous solutions by slow evaporation solution technique method at 35 °C temperature. From the structural investigation the change in powder X-ray diffraction intensity patterns was observed due to doping influence and it shows the lattice distortion within resolution limit and confirms that there is no extra phase. The modes of vibration in the crystalline molecules have been identified by FTIR and Raman analysis. Optical transparency of doped crystals were analyzed by allowing the UV-Vis-NIR ray of wavelength between 200 and 1000 nm, which is passes through the grown KAP and CHA doped KAP crystals and the results confirm that doped KAP single crystals shows good transparency in the entire visible region, which is suitable for optical device applications. Mechanical behaviour of pure and doped KAP crystals has been investigated by Vickers microhardness analyzer and hardness paramete...
{"title":"Effect of cyclohexylamine on growth, structural, spectral, optical and mechanical properties of potassium acid phthalate (KAP) single crystal","authors":"K. Senthil, R. Gnanadeepam, K. Elangovan, A. Senthil","doi":"10.1063/1.5114607","DOIUrl":"https://doi.org/10.1063/1.5114607","url":null,"abstract":"In the present investigation, single crystals of cyclohexylamine (CHA) doped potassium acid phthalate (KAP) were grown from aqueous solutions by slow evaporation solution technique method at 35 °C temperature. From the structural investigation the change in powder X-ray diffraction intensity patterns was observed due to doping influence and it shows the lattice distortion within resolution limit and confirms that there is no extra phase. The modes of vibration in the crystalline molecules have been identified by FTIR and Raman analysis. Optical transparency of doped crystals were analyzed by allowing the UV-Vis-NIR ray of wavelength between 200 and 1000 nm, which is passes through the grown KAP and CHA doped KAP crystals and the results confirm that doped KAP single crystals shows good transparency in the entire visible region, which is suitable for optical device applications. Mechanical behaviour of pure and doped KAP crystals has been investigated by Vickers microhardness analyzer and hardness parameters have been discussed.In the present investigation, single crystals of cyclohexylamine (CHA) doped potassium acid phthalate (KAP) were grown from aqueous solutions by slow evaporation solution technique method at 35 °C temperature. From the structural investigation the change in powder X-ray diffraction intensity patterns was observed due to doping influence and it shows the lattice distortion within resolution limit and confirms that there is no extra phase. The modes of vibration in the crystalline molecules have been identified by FTIR and Raman analysis. Optical transparency of doped crystals were analyzed by allowing the UV-Vis-NIR ray of wavelength between 200 and 1000 nm, which is passes through the grown KAP and CHA doped KAP crystals and the results confirm that doped KAP single crystals shows good transparency in the entire visible region, which is suitable for optical device applications. Mechanical behaviour of pure and doped KAP crystals has been investigated by Vickers microhardness analyzer and hardness paramete...","PeriodicalId":180693,"journal":{"name":"7TH NATIONAL CONFERENCE ON HIERARCHICALLY STRUCTURED MATERIALS (NCHSM-2019)","volume":"1 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"129599377","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The Atom-based 3D-QSAR models have been generated, to identify the essential structural features required for these AKT1 inhibitors using the PHASE module of Schrodinger. A pharmacophore hypothesis contained five features such as one hydrogen bond acceptors, two hydrogen bond donors and two aromatic rings gives a best atom-based 3D-QSAR model. The obtained 3D-QSAR model had good statistical predictive values, cross validated correlation coefficient, Fisher ratio and Pearson’s value. Further the predictability of the pharmacophore model was validated using test set prediction such as R2pred and rm2 metrics. Moreover, this validated pharmacophore model was used as a 3D query to screen the compounds from NCI and ZINC database. The resultant hit compounds were filtered by Lipinski’s rule of five as well as the ADME properties. The molecular docking study was carried out to explore the suitable binding capabilities of compounds in the AKT1 active site. Further to confirm the inhibitor potencies, we have calculated the highest occupied molecular orbital, lowest unoccupied molecular orbital and energy gap values for hit compounds. Finally, two hit molecules were selected as novel hit molecules based on good molecular interactions, docking score and electronic properties.
{"title":"3D-QSAR modeling, molecular docking and quantum mechanical approaches to identify pleckstrin homology domain of new AKT1 inhibitors","authors":"R. Kavitha, C. Meganathan","doi":"10.1063/1.5114595","DOIUrl":"https://doi.org/10.1063/1.5114595","url":null,"abstract":"The Atom-based 3D-QSAR models have been generated, to identify the essential structural features required for these AKT1 inhibitors using the PHASE module of Schrodinger. A pharmacophore hypothesis contained five features such as one hydrogen bond acceptors, two hydrogen bond donors and two aromatic rings gives a best atom-based 3D-QSAR model. The obtained 3D-QSAR model had good statistical predictive values, cross validated correlation coefficient, Fisher ratio and Pearson’s value. Further the predictability of the pharmacophore model was validated using test set prediction such as R2pred and rm2 metrics. Moreover, this validated pharmacophore model was used as a 3D query to screen the compounds from NCI and ZINC database. The resultant hit compounds were filtered by Lipinski’s rule of five as well as the ADME properties. The molecular docking study was carried out to explore the suitable binding capabilities of compounds in the AKT1 active site. Further to confirm the inhibitor potencies, we have calculated the highest occupied molecular orbital, lowest unoccupied molecular orbital and energy gap values for hit compounds. Finally, two hit molecules were selected as novel hit molecules based on good molecular interactions, docking score and electronic properties.","PeriodicalId":180693,"journal":{"name":"7TH NATIONAL CONFERENCE ON HIERARCHICALLY STRUCTURED MATERIALS (NCHSM-2019)","volume":"15 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"133319411","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In this paper, we have reported the anti-corrosion performance of Ceria / poly (indole-co-pyrrole) (Ce/(poly(In-co-Py)) bilayer coating on 304 SS. Electrochemical polymerization of (poly (In-co-Py)) was achieved on ceria coated 304 SS (CeO2/304 SS) in acetonitrile medium containing LiClO4 (ACN-LiClO4) by scanning electron microscopy (SEM) with energy dispersive analysis of X-ray (EDAX) respectively. The corrosion defensive performance of this bilayer coating on 304 SS was investigated using electrochemical techniques such as potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) in 0.1 M H2SO4. These results show that the bilayer coating on 304 SS lowered the permeability of corrosive ions present in the acidic medium and thus acts as a barrier against the attack of corrosive environment.
在含LiClO4 (ACN-LiClO4)的乙腈介质中，用扫描电镜(SEM)和x射线能谱分析(EDAX)分别在包覆了铈/聚(吲哚-co-吡咯)(Ce/聚(In-co- py))双层涂层的304 SS (CeO2/304 SS)上实现了聚(In-co- py)的电化学聚合。采用动电位极化和电化学阻抗谱(EIS)等电化学技术，在0.1 M H2SO4中对304 SS双层涂层的防腐性能进行了研究。结果表明，304不锈钢表面的双层涂层降低了酸性介质中腐蚀离子的渗透性，从而起到了抵抗腐蚀环境侵袭的屏障作用。
{"title":"Corrosion protection performance of ceria-copolymer bilayer coating on 304 stainless steel in 0.1 M H2SO4 medium","authors":"M. Surendiran, A. Parthiban","doi":"10.1063/1.5114585","DOIUrl":"https://doi.org/10.1063/1.5114585","url":null,"abstract":"In this paper, we have reported the anti-corrosion performance of Ceria / poly (indole-co-pyrrole) (Ce/(poly(In-co-Py)) bilayer coating on 304 SS. Electrochemical polymerization of (poly (In-co-Py)) was achieved on ceria coated 304 SS (CeO2/304 SS) in acetonitrile medium containing LiClO4 (ACN-LiClO4) by scanning electron microscopy (SEM) with energy dispersive analysis of X-ray (EDAX) respectively. The corrosion defensive performance of this bilayer coating on 304 SS was investigated using electrochemical techniques such as potentiodynamic polarization and electrochemical impedance spectroscopy (EIS) in 0.1 M H2SO4. These results show that the bilayer coating on 304 SS lowered the permeability of corrosive ions present in the acidic medium and thus acts as a barrier against the attack of corrosive environment.","PeriodicalId":180693,"journal":{"name":"7TH NATIONAL CONFERENCE ON HIERARCHICALLY STRUCTURED MATERIALS (NCHSM-2019)","volume":"6 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"121771482","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
K. Panneerselvam, K. Arul, A. Warrier, K. Asokan, C. Dong
The disposal of carcinogenic synthetic dye waste in water poses major challenges and threats the environmental safety. In this work, we address the issue of dye removal by adsorption using inorganic materials, Hydroxyapatite (HAp) with and without doping metal ions (Fe3+ and Co2+) are synthesized via facile co-precipitation route. These compounds are characterized by X-ray diffraction analysis, FTIR, Raman, SEM, UV-Vis and photoluminescence studies for confirming the phase, structure, morphology, composition and optical properties. The adsorption capacity of these samples were explored against Congo red dye. Enhanced adsorption efficiency (95.6%) is attained for iron doped HAp. Using various kinetic models, the adsorption kinetics of the dye is deliberated. Hence, based on the overall results, metal ions doped HAp could be employed as a feasible novel adsorbent material for industrial waste water treatment.The disposal of carcinogenic synthetic dye waste in water poses major challenges and threats the environmental safety. In this work, we address the issue of dye removal by adsorption using inorganic materials, Hydroxyapatite (HAp) with and without doping metal ions (Fe3+ and Co2+) are synthesized via facile co-precipitation route. These compounds are characterized by X-ray diffraction analysis, FTIR, Raman, SEM, UV-Vis and photoluminescence studies for confirming the phase, structure, morphology, composition and optical properties. The adsorption capacity of these samples were explored against Congo red dye. Enhanced adsorption efficiency (95.6%) is attained for iron doped HAp. Using various kinetic models, the adsorption kinetics of the dye is deliberated. Hence, based on the overall results, metal ions doped HAp could be employed as a feasible novel adsorbent material for industrial waste water treatment.
{"title":"Rapid adsorption of industrial pollutants using metal ion doped hydroxyapatite","authors":"K. Panneerselvam, K. Arul, A. Warrier, K. Asokan, C. Dong","doi":"10.1063/1.5114584","DOIUrl":"https://doi.org/10.1063/1.5114584","url":null,"abstract":"The disposal of carcinogenic synthetic dye waste in water poses major challenges and threats the environmental safety. In this work, we address the issue of dye removal by adsorption using inorganic materials, Hydroxyapatite (HAp) with and without doping metal ions (Fe3+ and Co2+) are synthesized via facile co-precipitation route. These compounds are characterized by X-ray diffraction analysis, FTIR, Raman, SEM, UV-Vis and photoluminescence studies for confirming the phase, structure, morphology, composition and optical properties. The adsorption capacity of these samples were explored against Congo red dye. Enhanced adsorption efficiency (95.6%) is attained for iron doped HAp. Using various kinetic models, the adsorption kinetics of the dye is deliberated. Hence, based on the overall results, metal ions doped HAp could be employed as a feasible novel adsorbent material for industrial waste water treatment.The disposal of carcinogenic synthetic dye waste in water poses major challenges and threats the environmental safety. In this work, we address the issue of dye removal by adsorption using inorganic materials, Hydroxyapatite (HAp) with and without doping metal ions (Fe3+ and Co2+) are synthesized via facile co-precipitation route. These compounds are characterized by X-ray diffraction analysis, FTIR, Raman, SEM, UV-Vis and photoluminescence studies for confirming the phase, structure, morphology, composition and optical properties. The adsorption capacity of these samples were explored against Congo red dye. Enhanced adsorption efficiency (95.6%) is attained for iron doped HAp. Using various kinetic models, the adsorption kinetics of the dye is deliberated. Hence, based on the overall results, metal ions doped HAp could be employed as a feasible novel adsorbent material for industrial waste water treatment.","PeriodicalId":180693,"journal":{"name":"7TH NATIONAL CONFERENCE ON HIERARCHICALLY STRUCTURED MATERIALS (NCHSM-2019)","volume":"47 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"115993882","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Hempcrete is a mixture of natural hemp fibre and lime or other cementitious material in a desired mix proportion to utilize as a green building product. This composite is being used for producing non- loading building material and applied in the construction work along with the frame work made up of timber or steel. It is a very eco-friendly building material which is reducing carbon foot print in low cost construction activities, containing less embodied energy, used as a thermal and humidity control acoustic material. In this study various binder mix ratios were tried to find out optimal mix ratio of the binder to make hempcrete by using hemp fibre. Further investigation was carried out to assess the impact on strength of hempcrete due to addition of mineral admixtures like silica fumes, Meta-kaolin, Fly ash with lime and cement at various proportions. The test specimens of 150mmx150mmx150mm hempcrete cubes were cast 6 numbers in each mix proportion and allowed to dry in the ambient conditions for 24 hours to attain optimum moisture content and mass of each specimen is measured. Then the specimens are kept in the carbonation chamber and exposed to 2 bar pressure of pure CO2 gas (commercially available) after 24 hours of carbonation curing they are removed and weighed again and tested after 28 days for compressive strength. The mix combination which contains hydrated lime with silica fumes as admixture did not significantly affect the compressive strength, whereas adding Meta-kaolin as an admixture to the mix increased strength. The specimens that have hemp fibers with lime and meta-kaolin showed better results on carbon dioxide sequestration and compressive strength.Hempcrete is a mixture of natural hemp fibre and lime or other cementitious material in a desired mix proportion to utilize as a green building product. This composite is being used for producing non- loading building material and applied in the construction work along with the frame work made up of timber or steel. It is a very eco-friendly building material which is reducing carbon foot print in low cost construction activities, containing less embodied energy, used as a thermal and humidity control acoustic material. In this study various binder mix ratios were tried to find out optimal mix ratio of the binder to make hempcrete by using hemp fibre. Further investigation was carried out to assess the impact on strength of hempcrete due to addition of mineral admixtures like silica fumes, Meta-kaolin, Fly ash with lime and cement at various proportions. The test specimens of 150mmx150mmx150mm hempcrete cubes were cast 6 numbers in each mix proportion and allowed to dry in the ambient conditions for 24 ho...
{"title":"Study on strength and microstructure of hempcrete","authors":"M. Jothilingam, Pratheeba Paul","doi":"10.1063/1.5114608","DOIUrl":"https://doi.org/10.1063/1.5114608","url":null,"abstract":"Hempcrete is a mixture of natural hemp fibre and lime or other cementitious material in a desired mix proportion to utilize as a green building product. This composite is being used for producing non- loading building material and applied in the construction work along with the frame work made up of timber or steel. It is a very eco-friendly building material which is reducing carbon foot print in low cost construction activities, containing less embodied energy, used as a thermal and humidity control acoustic material. In this study various binder mix ratios were tried to find out optimal mix ratio of the binder to make hempcrete by using hemp fibre. Further investigation was carried out to assess the impact on strength of hempcrete due to addition of mineral admixtures like silica fumes, Meta-kaolin, Fly ash with lime and cement at various proportions. The test specimens of 150mmx150mmx150mm hempcrete cubes were cast 6 numbers in each mix proportion and allowed to dry in the ambient conditions for 24 hours to attain optimum moisture content and mass of each specimen is measured. Then the specimens are kept in the carbonation chamber and exposed to 2 bar pressure of pure CO2 gas (commercially available) after 24 hours of carbonation curing they are removed and weighed again and tested after 28 days for compressive strength. The mix combination which contains hydrated lime with silica fumes as admixture did not significantly affect the compressive strength, whereas adding Meta-kaolin as an admixture to the mix increased strength. The specimens that have hemp fibers with lime and meta-kaolin showed better results on carbon dioxide sequestration and compressive strength.Hempcrete is a mixture of natural hemp fibre and lime or other cementitious material in a desired mix proportion to utilize as a green building product. This composite is being used for producing non- loading building material and applied in the construction work along with the frame work made up of timber or steel. It is a very eco-friendly building material which is reducing carbon foot print in low cost construction activities, containing less embodied energy, used as a thermal and humidity control acoustic material. In this study various binder mix ratios were tried to find out optimal mix ratio of the binder to make hempcrete by using hemp fibre. Further investigation was carried out to assess the impact on strength of hempcrete due to addition of mineral admixtures like silica fumes, Meta-kaolin, Fly ash with lime and cement at various proportions. The test specimens of 150mmx150mmx150mm hempcrete cubes were cast 6 numbers in each mix proportion and allowed to dry in the ambient conditions for 24 ho...","PeriodicalId":180693,"journal":{"name":"7TH NATIONAL CONFERENCE ON HIERARCHICALLY STRUCTURED MATERIALS (NCHSM-2019)","volume":"8 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"115369516","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Zinc oxide (ZnO) is versatile material and has attracted considerable attention for its several applications in electronics, optoelectronics, bioelectronics etc. in the form of thin film, nanoparticles, nanorods, nanotubes, nanobelts, nanodots and nanowires. ZnO is a direct band gap material with high excitation binding energy. The property of the ZnO differs in respect to its size, shape and dimensions. In this paper, we present the experimental investigation of ZnO thin film prepared by electrodeposition method. The film was deposited on the FTO glass substrate using three-electrode configuration dipped in the mixed solution of zinc chloride, potassium chloride and deionized water. The as-prepared film was thermally treated at 400° C and later its optical and structural properties were studied.Zinc oxide (ZnO) is versatile material and has attracted considerable attention for its several applications in electronics, optoelectronics, bioelectronics etc. in the form of thin film, nanoparticles, nanorods, nanotubes, nanobelts, nanodots and nanowires. ZnO is a direct band gap material with high excitation binding energy. The property of the ZnO differs in respect to its size, shape and dimensions. In this paper, we present the experimental investigation of ZnO thin film prepared by electrodeposition method. The film was deposited on the FTO glass substrate using three-electrode configuration dipped in the mixed solution of zinc chloride, potassium chloride and deionized water. The as-prepared film was thermally treated at 400° C and later its optical and structural properties were studied.
{"title":"Optical and structural studies of ZnO thin film prepared by electrodeposition method","authors":"S. Saravanan, R. Dubey","doi":"10.1063/1.5114581","DOIUrl":"https://doi.org/10.1063/1.5114581","url":null,"abstract":"Zinc oxide (ZnO) is versatile material and has attracted considerable attention for its several applications in electronics, optoelectronics, bioelectronics etc. in the form of thin film, nanoparticles, nanorods, nanotubes, nanobelts, nanodots and nanowires. ZnO is a direct band gap material with high excitation binding energy. The property of the ZnO differs in respect to its size, shape and dimensions. In this paper, we present the experimental investigation of ZnO thin film prepared by electrodeposition method. The film was deposited on the FTO glass substrate using three-electrode configuration dipped in the mixed solution of zinc chloride, potassium chloride and deionized water. The as-prepared film was thermally treated at 400° C and later its optical and structural properties were studied.Zinc oxide (ZnO) is versatile material and has attracted considerable attention for its several applications in electronics, optoelectronics, bioelectronics etc. in the form of thin film, nanoparticles, nanorods, nanotubes, nanobelts, nanodots and nanowires. ZnO is a direct band gap material with high excitation binding energy. The property of the ZnO differs in respect to its size, shape and dimensions. In this paper, we present the experimental investigation of ZnO thin film prepared by electrodeposition method. The film was deposited on the FTO glass substrate using three-electrode configuration dipped in the mixed solution of zinc chloride, potassium chloride and deionized water. The as-prepared film was thermally treated at 400° C and later its optical and structural properties were studied.","PeriodicalId":180693,"journal":{"name":"7TH NATIONAL CONFERENCE ON HIERARCHICALLY STRUCTURED MATERIALS (NCHSM-2019)","volume":"25 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"126854673","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The FT-IR and FT-Raman spectra of 2-((3, 4-dichloro phenylimino)methyl)-4 bromophenol (DCCP) were analysed. Using DFT methods (B3LYP) with 6-31++G (d, p) as a basis set, the wave numbers and geometrical structures have been studied. The experimental fundamental frequencies of DCCP molecule are in compliance with the stimulated results which gave good result for studying molecular vibration. The different dielectric quantities like loss due to dielectric, optical frequency dielectric constant, static dielectric constant, dielectric constant at microwave frequency of the compound DCCP has been determined. The relaxation time is obtained by Higasi’s method. The results indicate the molecular interaction behaviour of the compound and the solvent. The theoretical IR and Raman spectra are drawn with the help of above obtained results. The charge transfer is confirmed by HOMO-LUMO energies. Natural bond orbital (NBO) analysis study confirms the charge delocalization in the molecule.
{"title":"Spectroscopic studies, vibrational analysis and dielectric studies of 2-((3,4-dichlorophenyl imino)methyl)-4 bromophenol","authors":"T. Beena, L. Sudha, A. Nataraj, G. Mariappan","doi":"10.1063/1.5114609","DOIUrl":"https://doi.org/10.1063/1.5114609","url":null,"abstract":"The FT-IR and FT-Raman spectra of 2-((3, 4-dichloro phenylimino)methyl)-4 bromophenol (DCCP) were analysed. Using DFT methods (B3LYP) with 6-31++G (d, p) as a basis set, the wave numbers and geometrical structures have been studied. The experimental fundamental frequencies of DCCP molecule are in compliance with the stimulated results which gave good result for studying molecular vibration. The different dielectric quantities like loss due to dielectric, optical frequency dielectric constant, static dielectric constant, dielectric constant at microwave frequency of the compound DCCP has been determined. The relaxation time is obtained by Higasi’s method. The results indicate the molecular interaction behaviour of the compound and the solvent. The theoretical IR and Raman spectra are drawn with the help of above obtained results. The charge transfer is confirmed by HOMO-LUMO energies. Natural bond orbital (NBO) analysis study confirms the charge delocalization in the molecule.","PeriodicalId":180693,"journal":{"name":"7TH NATIONAL CONFERENCE ON HIERARCHICALLY STRUCTURED MATERIALS (NCHSM-2019)","volume":"38 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"125238174","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
K. Rajesh, A. Mani, K. Anandan, K. Gayathri, A. Arun
The impact of barium metal ion and L-Alanine on the mechanical properties of well known non linear optical crystal of L-Tartrate was carried out. Barium L-Tartrate and L-Alanine Tartrate single crystals were grown by slow evaporation technique. Mechanical strength of the crystals was carried out using Vicker’s microhardness tester. Vicker’s micro hardness number and indentation values are driven from the test. Mechanical parameters of these two crystals are carried out from the micro hardness values. Various mechanical constants such as fracture toughness, brittleness index, yield strength, stiffness constants are calculated for both Barium L-Tartarate and L-Alanine Tartarate single crystals. The role of amino acid and metal ion on the Vicker’s micro hardness in the above said crystals are analyzed in detail.The impact of barium metal ion and L-Alanine on the mechanical properties of well known non linear optical crystal of L-Tartrate was carried out. Barium L-Tartrate and L-Alanine Tartrate single crystals were grown by slow evaporation technique. Mechanical strength of the crystals was carried out using Vicker’s microhardness tester. Vicker’s micro hardness number and indentation values are driven from the test. Mechanical parameters of these two crystals are carried out from the micro hardness values. Various mechanical constants such as fracture toughness, brittleness index, yield strength, stiffness constants are calculated for both Barium L-Tartarate and L-Alanine Tartarate single crystals. The role of amino acid and metal ion on the Vicker’s micro hardness in the above said crystals are analyzed in detail.
{"title":"Role of metal and amino acid on the growth and microhardness properties of tartaric acid crystals","authors":"K. Rajesh, A. Mani, K. Anandan, K. Gayathri, A. Arun","doi":"10.1063/1.5114601","DOIUrl":"https://doi.org/10.1063/1.5114601","url":null,"abstract":"The impact of barium metal ion and L-Alanine on the mechanical properties of well known non linear optical crystal of L-Tartrate was carried out. Barium L-Tartrate and L-Alanine Tartrate single crystals were grown by slow evaporation technique. Mechanical strength of the crystals was carried out using Vicker’s microhardness tester. Vicker’s micro hardness number and indentation values are driven from the test. Mechanical parameters of these two crystals are carried out from the micro hardness values. Various mechanical constants such as fracture toughness, brittleness index, yield strength, stiffness constants are calculated for both Barium L-Tartarate and L-Alanine Tartarate single crystals. The role of amino acid and metal ion on the Vicker’s micro hardness in the above said crystals are analyzed in detail.The impact of barium metal ion and L-Alanine on the mechanical properties of well known non linear optical crystal of L-Tartrate was carried out. Barium L-Tartrate and L-Alanine Tartrate single crystals were grown by slow evaporation technique. Mechanical strength of the crystals was carried out using Vicker’s microhardness tester. Vicker’s micro hardness number and indentation values are driven from the test. Mechanical parameters of these two crystals are carried out from the micro hardness values. Various mechanical constants such as fracture toughness, brittleness index, yield strength, stiffness constants are calculated for both Barium L-Tartarate and L-Alanine Tartarate single crystals. The role of amino acid and metal ion on the Vicker’s micro hardness in the above said crystals are analyzed in detail.","PeriodicalId":180693,"journal":{"name":"7TH NATIONAL CONFERENCE ON HIERARCHICALLY STRUCTURED MATERIALS (NCHSM-2019)","volume":"16 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2019-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"125613124","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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