Heavy-metal binding affinity in metalloproteins: a computational approach

The use of biological organisms for removal of heavy-metal in situ brings down the production cost due to the lesser pre-treatment steps in the removal process. Initial assessments of the heavy-metal binding bacteria from wastewaters, indicates that Bacillus and Chryseomonas sp. exhibited positive growth response behavior when exposed to lead and cadmium [1]. This incorporation of the heavy-metal species leads to the increase in the molecular mass of the protein as shown in the SDS-PAGE result (Figure 1). In this research, two metal-binding proteins of B. subtilis 1C7I and 1P3J were analyzed and optimized using DFT method to look into the possibility of replacement of heavy metals (Cd, Cr, Hg, and Pb) in its metal active sites

Heavy-metal binding affinity in metalloproteins: a computational approach

The use of biological organisms for removal of heavy-metal in situ brings down the production cost due to the lesser pre-treatment steps in the removal process. Initial assessments of the heavy-metal binding bacteria from wastewaters, indicates that Bacillus and Chryseomonas sp. exhibited positive growth response behavior when exposed to lead and cadmium [1]. This incorporation of the heavy-metal species leads to the increase in the molecular mass of the protein as shown in the SDS-PAGE result (Figure 1). In this research, two metal-binding proteins of B. subtilis 1C7I and 1P3J were analyzed and optimized using DFT method to look into the possibility of replacement of heavy metals (Cd, Cr, Hg, and Pb) in its metal active sites

Study of aggregation of the 2', 7'-dichlorofluorescein dye caused by the intermolecular hydrogen bond

The project's main objective is to study the aggregation of the 2',7'-dichlorofluorescein dye molecule through intermolecular hydrogen bonding in various solvents. With two chromophores perpendicular to each other, 2',7'-dichlorofluorescein likely demonstrate J-aggregate and H-aggregate simultaneously. The present project is expected to provide some insights in the knowledge-based molecular design to improve device performance for optoelectronic applications

Study of aggregation of the 2', 7'-dichlorofluorescein dye caused by the intermolecular hydrogen bond

The project's main objective is to study the aggregation of the 2',7'-dichlorofluorescein dye molecule through intermolecular hydrogen bonding in various solvents. With two chromophores perpendicular to each other, 2',7'-dichlorofluorescein likely demonstrate J-aggregate and H-aggregate simultaneously. The present project is expected to provide some insights in the knowledge-based molecular design to improve device performance for optoelectronic applications

Triphenylamine dyes having symmetric double D-TI-A configuration for dye-sensitized solar cells

The conformation of the dye on the semiconductor is an important factor for the improvement of charge injection and minimization of the back electron transfer process. In addition, the dye should be able to suppress aggregation by introducing bulky alkyl groups, addition of co-adsorbents, or designing a dye with a п-bridge between two chromophores forming a spiro-like configuration [1,2]. This study presents the synthesis of two compounds having double D-TT-A configurations namely, KS-11 and KS-13 and comparing their photovoltaic properties with the rod-like configuration, herein labelled as KS-10

Analyzing the Socio-economic Impacts of Mining with Propensity Score Matching (PSM): Insights for Responsible Mining in Caraga Region, Philippines

Propensity-score matching (PSM) is an estimation procedure used in this study to address selection bias and endogeneity to obtain robust results in determining the impacts of mining on the socio-economic condition of the people in the mining areas of Caraga Region, Philippines. This study has used it with three matching methods (nearest neighbor, kernel and radius matching) to come up with implications on the socio-economic underpinnings of responsible mining for the region. The impacts of mining in this study are signified by the significance of average treatment effects on the treated (ATT) for each of the socio-economic parameters of the households under study. Consistently, the results demonstrate increased borrowing in the mining areas of the region.  Results of radius matching have indicated increase in investment for human capital buildup, as implied by the increase in food and education expenditures. There are also manifestations of in-migration and efforts on the part of mining to participate in the improvement of accessibility condition through the provision of paved roads. Yet, the results signify that there is yet a need to work for the improvement of the quality of life as perceived by the households in the mining areas.  This study has recommended intensified efforts towards human development, entrepreneurship and pollution control, especially that responsible mining is to build the resilience of people to natural hazards for sustainable development in Caraga Region, Philippines. Keywords: propensity-score matching, nearest neighbor, kernel and radius matching, AT

Control of Porphyrin Dye Aggregation Using Bis(4-pyridyl)Alkanes in Dye Sensitized Solar Cells

The aggregation of sensitizer molecules on the surface of photoanode is a serious issue that can affect the photovoltaic performance of dye-sensitized solar cells. Prevention of dye agglomeration, therefore, is critical. Traditional methods of aggregation control are either synthetically challenging or technologically difficult and expensive. In this article, the use of bis(4-pyridyl)alkanes to control porphyrin dye aggregation is presented. Three bis(4-pyridyl)alkanes – bis(4-pyridyl)butane L4, bis(4-pyridyl)octane L8 and bis(4-pyridyl)decane L10 were synthesized. These bis(4-pyridyl)alkane ligands are axially attached to the metallic center of synthesized porphyrin dye P. The complexes was obtained by mixing the solutions of dye P and each ligand (L) in 2:1 ratio 1 h before the soaking step. As a result three cells were prepared: P-L4, P-L8 and P-L10. The performance of these cells were compared with a reference cell which was prepared from porphyrin dye P only. IPCE analysis demonstrated the highest dye load in P-L4 cell which was ascribed to lowered dye aggregation. Photovoltaic analysis showed improved short circuit current density due to suppressed dye aggregation caused by the complexation of the porphyrin dye P with the linker L4. As a result the overall cell efficiency increased to 42% demonstrating the successful utilization of the (4-pyridyl)alkane linker complexes with porphyrin dye

Bioabsorption and Effectiveness of Long-Lasting Permethrin-Treated Uniforms Over Three Months Among North Carolina Outdoor Workers

Abstract Background Vector-borne diseases are an important cause of morbidity and mortality in the USA. Effective, convenient prevention methods are needed. Long-lasting permethrin-impregnated (LLPI) clothing can prevent tick bites, however, additional information is needed on the real-world effectiveness and safety of this preventative measure. Methods In this pilot study, we recruited state and county park employees from North Carolina to wear LLPI uniforms for three months during the summer of 2016. We collected spot urine samples for biomonitoring of permethrin metabolites at one week, one month and three months after first use of the LLPI uniform. Following three months of wear, we collected pants and socks and analyzed them for permethrin content and mortality to ticks and mosquitoes. Results Thirteen park employees were included in the analysis. Bioactive amounts of permethrin remained in all clothing swatches tested, although there was great variability. Tick mortality was high, with 78% of pant and 88% of sock swatches having mean knockdown percentages ≥ 85%. In contrast, mosquito mortality was low. Over the study period, the absorbed dosage of permethrin averaged < 4 μg/kg/d of body weight based on measurements of three metabolites. Conclusions LLPI clothing retained permethrin and bioactivity against ticks after three months of use in real-world conditions. The estimated absorbed dosage of permethrin was well below the U.S. EPA level of concern, suggesting that LLPI clothing can be used safely by outdoor workers for tick bite prevention

Teaching education for sustainable development at university level: a case study from the Philippines

In response to UNESCO’s Agenda 21, the Philippine initiative to assimilate Education for Sustainable Development (ESD) in tertiary education is enunciated in the Commission on Higher Education‘s Strategic Plan for 2011–2016, which contains the roadmap to reform higher education institutions (HEIs) to respond well to the academic pursuits of sustainable development. Over the years, ESD has been instituted with practical strategies hinged on previously-built efforts promoting environmental conservation, climate change mitigation and adaptation as cornerstones of sustainable development among the HEIs in the country. The process of doing so has progressed from social marketing through alliance-building in pushing for eco-friendly and disaster risk reduction programs and community extension activities to enhance social awareness and preparedness to a more academic level through curricular review and development activities. The National Service Training Program (NSTP) is a platform whereby ESD is instituted formally in tertiary education. However, sophistication for ESD to tackle the development of theories of practice is underway but slow. Some universities have been moving forward in this aspect in cooperation with two environmental education associations, but knowledge to fast-track the development and study of theories for sustainable development for practical applications is still evidently wanting

The framework of waste management in gold mining towards building sustainable communities in Caraga Region, Philippines

This paper highlights the ecological approaches in the development of a sustainable waste management (SWM) for gold mining by picking up insights from previous works. Key concepts from industrial ecology have been adopted as basis for the approaches in configuring the waste management framework for gold mining. The relevance of industrial symbiosis and systems thinking in the framework for gold mining are emphasized, specifically on the objective of addressing the three pillars of sustainable development - people, planet and prosperity. The application of the key concepts of industrial symbiosis and systems thinking in forming the science for SWM in gold mining and developing the SWM framework are envisioned to provide sustainability in reducing wastes and mitigating environmental impacts