Search results for: binding energy

Authors: S. Junaid S. Qazi, Denice C. Bay, Raymond Chew, Raymond J. Turner

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EmrE, a member of the small multidrug resistance protein family in bacteria is considered to be the archetypical member of its family. It confers host resistance to a wide variety of quaternary cation compounds (QCCs) driven by proton motive force. Generally, purification yield is a challenge in all membrane proteins because of the difficulties in their expression, isolation and solubilization. EmrE is extremely hydrophobic which make the purification yield challenging. We have purified EmrE protein using two different approaches: organic solvent membrane extraction and hexahistidine (his6) tagged Ni-affinity chromatographic methods. We have characterized changes present between ligand affinity of untagged and his6-tagged EmrE proteins in similar membrane mimetic environments using biophysical experimental techniques. Purified proteins were solubilized in a buffer containing n-dodecyl-β-D-maltopyranoside (DDM) and the conformations in the proteins were explored in the presence of four QCCs, methyl viologen (MV), ethidium bromide (EB), cetylpyridinium chloride (CTP) and tetraphenyl phosphonium (TPP). SDS-Tricine PAGE and dynamic light scattering (DLS) analysis revealed that the addition of QCCs did not induce higher multimeric forms of either proteins at all QCC:EmrE molar ratios examined under the solubilization conditions applied. QCC binding curves obtained from the Trp fluorescence quenching spectra, gave the values of dissociation constant (Kd) and maximum specific one-site binding (Bmax). Lower Bmax values to QCCs for his6-tagged EmrE shows that the binding sites remained unoccupied. This lower saturation suggests that the his6-tagged versions provide a conformation that prevents saturated binding. Our data demonstrate that tagging an integral membrane protein can significantly influence the protein.

Keywords: small multidrug resistance (SMR) protein, EmrE, integral membrane protein folding, quaternary ammonium compounds (QAC), quaternary cation compounds (QCC), nickel affinity chromatography, hexahistidine (His6) tag

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Authors: Abdelhak Bouchakour, Mustafa Brahami, Layachi Zaghba

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The use of photovoltaic energy offers an inexhaustible supply of energy but also a clean and non-polluting energy, which is a definite advantage. The geographical location of Algeria promotes the development of the use of this energy. Indeed, given the importance of the intensity of the radiation received and the duration of sunshine. For this reason, the objective of our work is to develop a data-processing tool (software) of calculation and optimization of dimensioning of the photovoltaic installations. Our approach of optimization is basing on mathematical models, which amongst other things describe the operation of each part of the installation, the energy production, the storage and the consumption of energy.

Keywords: solar panel, solar radiation, inverter, optimization

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Authors: Boukli Hacene Faiza, Soufi Wassila, Ghalem Said

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The oral antidiabetics drugs such as alpha glucosidase inhibitors present undesirable effects like acarbose. Flavonoids are class of molecules widely distributed in plants, for this reason we are interested in our work to study the inhibition in silico of alpha glucosidase by natural ligands ( flavonoids analogues) using molecular modeling methods using MOE (Molecular Operating Environment) software to predict their interaction with this enzyme with score energy, ADME /T tests and druglikeness properties experiments. Two flavonoids Beicalein and Apigenin have high binding affinity with alpha glucosidase with lower IC50 supposed potent inhibitors.

Keywords: alpha glucosidase, flavonoides analogues, drug research, molecular modeling

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Authors: Alena Semeradtova, Marcel Stofik, Lucie Mareckova, Petr Maly, Ondrej Stanek, Jan Maly

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Recently, novel strategies based on so-called molecular evolution were shown to be effective for the production of various peptide ligand libraries with high affinities to molecular targets of interest comparable or even better than monoclonal antibodies. The major advantage of these peptide scaffolds is mainly their prevailing low molecular weight and simple structure. This study describes a new high-affinity binding molecules based immunesensor using a simple optical system for human serum albumin (HSA) detection as a model molecule. We present a comparison of two variants of recombinant binders based on albumin binding domain of the protein G (ABD) performed on micropatterned glass chip. Binding domains may be tailored to any specific target of interest by molecular evolution. Micropatterened glass chips were prepared using UV-photolithography on chromium sputtered glasses. Glass surface was modified by (3-aminopropyl)trietoxysilane and biotin-PEG-acid using EDC/NHS chemistry. Two variants of high-affinity binding molecules were used to detect target molecule. Firstly, a variant is based on ABD domain fused with TolA chain. This molecule is in vivo biotinylated and each molecule contains one molecule of biotin and one ABD domain. Secondly, the variant is ABD domain based on streptavidin molecule and contains four gaps for biotin and four ABD domains. These high-affinity molecules were immobilized to the chip surface via biotin-streptavidin chemistry. To eliminate nonspecific binding 1% bovine serum albumin (BSA) or 6% fetal bovine serum (FBS) were used in every step. For both variants range of measured concentrations of fluorescently labelled HSA was 0 – 30 µg/ml. As a control, we performed a simultaneous assay without high-affinity binding molecules. Fluorescent signal was measured using inverse fluorescent microscope Olympus IX 70 with COOL LED pE 4000 as a light source, related filters, and camera Retiga 2000R as a detector. The fluorescent signal from non-modified areas was substracted from the signal of the fluorescent areas. Results were presented in graphs showing the dependence of measured grayscale value on the log-scale of HSA concentration. For the TolA variant the limit of detection (LOD) of the optical immunosensor proposed in this study is calculated to be 0,20 µg/ml for HSA detection in 1% BSA and 0,24 µg/ml in 6% FBS. In the case of streptavidin-based molecule, it was 0,04 µg/ml and 0,07 µg/ml respectively. The dynamical range of the immunosensor was possible to estimate just in the case of TolA variant and it was calculated to be 0,49 – 3,75 µg/ml and 0,73-1,88 µg/ml respectively. In the case of the streptavidin-based the variant we didn´t reach the surface saturation even with the 480 ug/ml concentration and the upper value of dynamical range was not estimated. Lower value was calculated to be 0,14 µg/ml and 0,17 µg/ml respectively. Based on the obtained results, it´s clear that both variants are useful for creating the bio-recognizing layer on immunosensors. For this particular system, it is obvious that the variant based on streptavidin molecule is more useful for biosensing on glass planar surfaces. Immunosensors based on this variant would exhibit better limit of detection and wide dynamical range.

Keywords: high affinity binding molecules, human serum albumin, optical immunosensor, protein G, UV-photolitography

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Authors: Pamita Awasthi, Kirna, Shilpa Dogra, Manu Vatsal, Ritu Barthwal

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Doxorubicin, also known as adriamycin, is an anthracycline class of drug used in cancer chemotherapy. It is used in the treatment of non-Hodgkin’s lymphoma, multiple myeloma, acute leukemias, breast cancer, lung cancer, endometrium cancer and ovary cancers. It functions via intercalating DNA and ultimately killing cancer cells. The major side effects of doxorubicin are hair loss, myelosuppression, nausea & vomiting, oesophagitis, diarrhoea, heart damage and liver dysfunction. The minor modifications in the structure of compound exhibit large variation in the biological activity, has prompted us to carry out the synthesis of sulfonamide derivatives. Sulfonamide is an important feature with broad spectrum of biological activity such as antiviral, antifungal, diuretics, anti-inflammatory, antibacterial and anticancer activities. Structure of the synthesized compound N-(1-methyl-2-oxo-2-N-methyl anilino-ethyl)benzene sulfonamide confirmed by proton nuclear magnetic resonance (1H NMR),13C NMR, Mass and FTIR spectroscopic tools to assure the position of all protons and hence stereochemistry of the molecule. Further we have reported the binding potential of synthesized sulfonamide analogues in comparison to doxorubicin drug using Auto Dock 4.2 software. Computational binding energy (B.E.) and inhibitory constant (Ki) has been evaluated for the synthesized compound in comparison of doxorubicin against Poly (dA-dT).Poly (dA-dT) and Poly (dG-dC).Poly (dG-dC) sequences. The in vitro cytotoxic study against human breast cancer cell lines confirms the better anticancer activity of the synthesized compound over currently in use anticancer drug doxorubicin. The IC50 value of the synthesized compound is 7.12 µM where as for doxorubicin is 7.2 µ.

Keywords: Doxorubicin, auto dock, in silco, in vitro

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Authors: Esther Van Andel, Stefanie C. Lange, Maarten M. J. Smulders, Han Zuilhof

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False outcomes of diagnostic tests are a major concern in medical health care. To improve the reliability of surface-based diagnostic tests, it is of crucial importance to diminish background signals that arise from the non-specific binding of biomolecules, a process called fouling. The aim is to create surfaces that repel all biomolecules except the molecule of interest. This can be achieved by incorporating antifouling protein repellent coatings in between the sensor surface and it’s recognition elements (e.g. antibodies, sugars, aptamers). Zwitterionic polymer brushes are considered excellent antifouling materials, however, to be able to bind the molecule of interest, the polymer brushes have to be functionalized and so far this was only achieved at the expense of either antifouling or binding capacity. To overcome this limitation, we combined both features into one single monomer: a zwitterionic sulfobetaine, ensuring antifouling capabilities, equipped with a clickable azide moiety which allows for further functionalization. By copolymerizing this monomer together with a standard sulfobetaine, the number of azides (and with that the number of recognition elements) can be tuned depending on the application. First, the clickable azido-monomer was synthesized and characterized, followed by copolymerizing this monomer to yield functionalizable antifouling brushes. The brushes were fully characterized using surface characterization techniques like XPS, contact angle measurements, G-ATR-FTIR and XRR. As a proof of principle, the brushes were subsequently functionalized with biotin via strain-promoted alkyne azide click reactions, which yielded a fully zwitterionic biotin-containing 3D-functionalized coating. The sensing capacity was evaluated by reflectometry using avidin and fibrinogen containing protein solutions. The surfaces showed excellent antifouling properties as illustrated by the complete absence of non-specific fibrinogen binding, while at the same time clear responses were seen for the specific binding of avidin. A great increase in signal-to-noise ratio was observed, even when the amount of functional groups was lowered to 1%, compared to traditional modification of sulfobetaine brushes that rely on a 2D-approach in which only the top-layer can be functionalized. This study was performed on stoichiometric silicon nitride surfaces for future microring resonator based assays, however, this methodology can be transferred to other biosensor platforms which are currently being investigated. The approach presented herein enables a highly efficient strategy for selective binding with retained antifouling properties for improved signal-to-noise ratios in binding assays. The number of recognition units can be adjusted to a specific need, e.g. depending on the size of the analyte to be bound, widening the scope of these functionalizable surface coatings.

Keywords: antifouling, signal-to-noise ratio, surface functionalization, zwitterionic polymer brushes

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Authors: Francesca Scalisi, Cesare Sposito

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The building construction industry consumes a large amount of resources and energy, both during construction (embodied energy) and during the operational phase (operating energy). This paper presents a review of the literature on low carbon and low embodied energy materials in buildings. The embodied energy comprises the energy consumed during the extraction, processing, transportation, construction, and demolition of building materials. While designing a nearly zero energy building, it is necessary to choose and use materials, components, and technologies that allow to reduce the consumption of energy and also to reduce the emissions in the atmosphere during all the Life Cycle Assessment phases. The appropriate choice of building materials can contribute decisively to reduce the energy consumption of the building sector. The increasing worries for the environmental impact of construction materials are witnessed by a lot of studies. The mentioned worries have brought again the attention towards natural materials. The use of more sustainable construction materials and construction techniques represent a major contribution to the eco-efficiency of the construction industry and thus to a more sustainable development.

Keywords: embodied energy, embodied carbon, life cycle assessment, architecture, sustainability, material construction

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Authors: Noel Chellan

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Energy is the life-blood of development. All human societies have been and still are dependent on energy – some societies more than others. With regard to energy in South Africa, previous policies of the apartheid regime neglected the energy needs of poor black communities in general – and rural communities in particular. Since South Africa’s first democratic elections in 1994 – whilst millions of South African households have received electricity from the national electricity grid, there are still many rural communities that are still experiencing challenges in relation to both electricity deprivation as well as provision. This paper looks at the energy-mix of the Mnweni rural community in South Africa and argues that understanding energy is key to understanding the nature and forms of development of any community or country, for that matter. The paper engages with the energy trends in the rural community of Mnweni from the days of apartheid until 2021. It also looks at agricultural practises from an energy perspective. Such an energy perspective will enable one to assess the pace and scale of development in rural Mnweni.

Keywords: rural, energy, development, apartheid

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Authors: Juan Sepúlveda

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Energy is a fundamental component in sustainability, the access and use of this resource is related with economic growth, social improvements, and environmental impacts. In this sense, energy efficiency has been studied as a factor that enhances the positive impacts of energy in communities; however, the implementation of efficiency requires strong policy and strategies that usually rely on individual measures focused in independent dimensions. In this paper, the problem of energy efficiency as a multi-objective problem is studied, using scientometric analysis to discover trends and patterns that allow to identify the main variables and study approximations related with a further development of models to integrate energy efficiency and MCA into policy making for small communities.

Keywords: energy efficiency, MCA, scientometric, trends

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Authors: Esther Ushike Akashie

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No matter who you are, where you are from and irrespective of age and gender, there is a universal need for power and energy. Every year, this need grows even more urgent the more scientific and technological inventions advance. Due to this fact, we find that majority of the research related to energy and power has been focused on finding new and innovative ways to produce power. Furthermore, we observe that because of the environmental state of our world today and the impact of climate change, one of the most explored routes of study has been the use of renewable energies. In this paper, we will be looking at one of the oldest forms of renewable energy, hydroelectric energy. First off, an overview of its history, sources, technical aspects, and applications will be evaluated. After which, we will then proceed to understand the main benefits and drawbacks of this form of renewable energy and offer insights on how it can be better utilized in our world today.

Keywords: hydropower, hydroelectric energy, advantages, disadvantages

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Authors: Onur Elma, Giray E. Kıral, Ugur S. Selamoğuları, Mehmet Uzunoğlu, Bulent Vural

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Electrical energy has become indispensable for people's lives and with rapidly developing technology and continuously changing living standards the need for the electrical energy has been on the rise. Therefore, both energy generation and efficient use of energy are very important topics. Smart grid concept has been introduced to provide monitoring, energy efficiency, reliability and energy quality. Under smart grid concept, smart homes, which can be considered as key component in smart grid operation, have appeared as another research area. In this study, first, smart grid research in the world will be reviewed. Then, overview of smart grid applications in Turkey will be given.

Keywords: energy efficiency, smart grids, smart home, applications

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Authors: Elham Delzendeh, Song Wu, Mustafa Al-Adhami, Rima Alaaeddine

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Over the last 15 years, prediction of energy consumption has become a common practice and necessity at different stages of the building’s lifecycle, particularly, at the design and post-occupancy stages for planning and maintenance purposes. This is due to the ever-growing response of governments to address sustainability and reduction of CO₂ emission in the building sector. However, there is a level of uncertainty in the estimation of energy consumption in buildings. The accuracy of energy consumption predictions is directly related to the precision of the initial inputs used in the energy assessment process. In this study, multiple cases of large non-residential buildings at design, construction, and post-occupancy stages are investigated. The energy consumption process and inputs, and the actual and predicted energy consumption of the cases are analysed. The findings of this study have pointed out and evidenced various parameters that cause uncertainty in the prediction of energy consumption in buildings such as modelling, location data, and occupant behaviour. In addition, unavailability and insufficiency of energy-consumption-related inputs at different stages of the building’s lifecycle are classified and categorized. Understanding the roots of uncertainty in building energy analysis will help energy modellers and energy simulation software developers reach more accurate energy consumption predictions in buildings.

Keywords: building lifecycle, efficiency, energy analysis, energy performance, uncertainty

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Authors: Nneka Osuchukwu, Leonid Shpanin

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The concept of converting the kinetic energy of quadcopter propellers into electrical energy is considered in this contribution following the feasibility study of the propeller vibrations, theoretical energy conversion, and simulation techniques. Analysis of the propeller vibration performance is presented via graphical representation of calculated and simulated parameters, in order to demonstrate the possibility of recovering the harvested energy from the propeller vibrations of the quadcopter while the quadcopter is in operation. Consideration of using piezoelectric materials in such concept, converting the mechanical energy of the propeller into the electrical energy, is given. Photographic evidence of the propeller in operation is presented and discussed together with experimental results to validate the theoretical concept.

Keywords: energy harvesting, piezoelectric material, propeller vibration, unmanned aerial vehicle

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Authors: Cindy Woods

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After years of implacable neoliberal globalization, multinational corporations have moved from the periphery to the center of the international legal agenda. Human rights advocates have long called for greater corporate accountability in the international arena. The creation of the Global Compact in 2000, while aimed at fostering greater corporate respect for human rights, did not silence these calls. After multiple unsuccessful attempts to adopt a set of norms relating to the human rights responsibilities of transnational corporations, the United Nations succeeded in 2008 with the Guiding Principles on Business and Human Rights (Guiding Principles). The Guiding Principles, praised by some within the international human rights community for their recognition of an individual corporate responsibility to respect human rights, have not escaped their share of criticism. Many view the Guiding Principles to be toothless, failing to directly impose obligations upon corporations, and call for binding international obligations on corporate entities. After decades of attempting to promulgate human rights obligations for multinational corporations, the existing legal frameworks in place fall short of protecting individuals from the human rights abuses of multinational corporations. The Global Compact and Guiding Principles are proof of the United Nations’ unwillingness to impose international legal obligations on corporate actors. In June 2014, the Human Rights Council adopted a resolution to draft international legally binding human rights norms for business entities; however, key players in the international arena have already announced they will not cooperate with such efforts. This Note, through an overview of the existing corporate accountability frameworks and a study of Newmont Mining’s Minas Conga project in Peru, argues that binding international human rights obligations on corporations are necessary to fully protect human rights. Where states refuse to or simply cannot uphold their duty to protect individuals from transnational businesses’ human rights transgressions, there must exist mechanisms to pursue justice directly against the multinational corporation.

Keywords: business and human rights, Latin America, international treaty on business and human rights, mining, human rights

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Authors: Dileep Kumar Verma, Sunil Kumar Lal

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Influenza still remains one of the most challenging diseases posing significant threat to public health causing seasonal epidemics and pandemics. Influenza A Virus (IAV) surface protein hemagglutinin is known to play an important role in viral attachment to the host sialic acid receptors and concentrate in lipid rafts for efficient viral fusion. Selective nature of Influenza A virus to utilize rafts micro-domain for efficient virus assembly and budding has been explored in depth. However, the detailed mechanism of IAV binding to host cell membrane and entry into the host remains elusive. In the present study we investigated the role of lipid rafts in early life cycle events of IAV. Role of host lipid rafts was studied using raft disruption method by extraction of cholesterol by Methyl-β-Cyclodextrin. Using GM1, a well-known lipid raft marker, we were able to observe co-localization of IAV on lipid rafts on the host cell membrane. This experiment suggests a direct involvement of lipid rafts in the initiation of the IAV life cycle. Upon disruption of lipid rafts by Methyl-b-cyclodextrin, we observed a significant reduction in IAV binding on the host cell surface indicating a significant decrease in virus attachment to coherent membrane rafts. Our results provide proof that host lipid rafts and their constituents play an important role in the adsorption of IAV. This study opens a new avenues in IAV virus-host interactions to combat infection at a very early steps of the viral lifecycle.

Keywords: lipid raft, adsorption, cholesterol, methyl-β-cyclodextrin, GM1

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Authors: Santosh Ghosh, Vinod Kumar Yadav, Vivekananda Mukherjee, Ishta Garg

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India, akin to the rest of the world today, is grappling with balancing act between ever increasing demand for energy and alarmingly high level of green house gas emission, which is inevitable corollary of energy production in the conventional way. Researchers and energy policy makers around the world are now focusing on renewable energy (RE) technologies to find solution to this crisis. In India various agencies at both national and state level has been set up and bestowed with responsibility of development of renewable energy technologies, viz. Ministry of New Renewable Energy (MNRE), National Vidyut Vyapar Nigam Ltd. (NVVNL), Indian Renewable Energy Development Agency Limited (IREDA) and RE Development Agencies in respective states. In the present work, the preparedness of India in terms of forming institutional and policy frame work briefly discussed. Status of implementation of RE technologies state wise and of India as a whole, critically reviewed.

Keywords: energy policy, energy sustainability, renewable energy, IREDA

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Authors: Amna J. Ghith, Khaled Abu Zid, Khairia Youssef, Nasser Saad

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Backgrounds: The multikinase and vascular endothelial growth factor (VEGF) receptor inhibitors interrupt the pathway by which angiogenesis becomes established and promulgated, resulting in the inadequate nourishment of metastatic disease. VEGFR-2 has been the principal target of anti-angiogenic therapies. We disclose the new thieno pyrimidines as inhibitors of VEGFR-2 designed by a molecular modeling approach with increased synergistic activity and decreased side effects. Purpose: 2-substituted thieno pyrimidines are designed and synthesized with anticipated anticancer activity based on its in silico molecular docking study that supports the initial pharmacophoric hypothesis with a same binding mode of interaction at the ATP-binding site of VEGFR-2 (PDB 2QU5) with high docking score. Methods: A series of compounds were designed using discovery studio 4.1/CDOCKER with a rational that mimic the pharmacophoric features present in the reported active compounds that targeted VEGFR-2. An in silico ADMET study was also performed to validate the bioavailability of the newly designed compounds. Results: The Compounds to be synthesized showed interaction energy comparable to or within the range of the benzimidazole inhibitor ligand when docked with VEGFR-2. ADMET study showed comparable results most of the compounds showed absorption within (95-99) zone varying according to different substitutions attached to thieno pyrimidine ring system. Conclusions: A series of 2-subsituted thienopyrimidines are to be synthesized with anticipated anticancer activity and according to docking study structure requirement for the design of VEGFR-2 inhibitors which can act as powerful anticancer agents.

Keywords: docking, discovery studio 4.1/CDOCKER, heterocycles based anticancer agents, 2-subsituted thienopyrimidines

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Authors: Aliyu Mohammed Lawal, Dahiru Ya'u Gital

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The problems placed on the environment as a result of energy generation and usage in Nigeria are: Potential damage to the environment health by Co, Co2, Sox and Nox effluent gas emissions and global warming. For instance in the year 2004 in Nigeria energy consumption was 58% oil and 34% natural gas but about 94 million metric tons of Co2 was emitted out of which 64% came from fossil fuels while about 35% came from fuel wood. The findings from this research on how to alleviate these problems are that long term sustainable development solutions should be enhanced globally; energy should be used more rationally renewable energy resources should be exploited and the existing emissions should be controlled to tolerate limits because the increase in energy demand in Nigeria places enormous strain on current energy facilities.

Keywords: energy generation, environmental health, effluent gas emission, global warming, fossil fuel

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Authors: Hasan Yildizhan

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According to the Solar Energy Potential Atlas (GEPA) prepared by Turkish Ministry of Energy, Hakkari is ranked first in terms of sunshine duration and it is ranked eighth in terms of solar radiation energy. Accordingly, Hakkari has a rich potential of investment with regard to solar radiation energy. The part of the solar radiation energy arriving on the surface of the earth which is transposable to useful work is determined by means of exergy analysis. In this study, the radiation exergy values for Hakkari have been calculated and evaluated by making use of the monthly average solar radiation energy and temperature values measured by General Directorate of State Meteorology.

Keywords: solar radiation exergy, Hakkari, solar energy potential, Turkey

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Authors: Satoshi Furukawa, Satomu Morita, Lisa Wingenfeld, Katsuji Nishi, Masahito Hitosugi

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We studied the expression of hypoxia-related antigens (e.g., cold-inducible antigens and apoptotic antigens) in the myocardium and the cerebellumthat were obtained from individuals after death by carbon monoxide or hypothermia. The immunohistochemistry results revealed that expression of cold-inducible RNA binding protein (CIRBP) and RNA-binding protein 3 (RBM3) may be associated with hpyothermic and the hypoxic conditions. The expression of CIRBP and RBM3 in the myocardium was different from their expression in the cerebellum, especially in the Purkinje cells. The results indicate that agonal duration influences antigen expression. In the hypothermic condition, the myocardium uses more ATP since the force of the excitation-contraction coupling of the myocardium increases by more than 400% when the experimental temperature is reduced from 35°C to 25°C. The results obtained in this study indicate that physicians should pay attention to the myocardium when cooling the patient’s body to protect the brain.

Keywords: carbon monoxide death, cerebellum, CIRBP, hypothermic death, myocardium, RBM3

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Authors: Mohamed M. Ibrahim, Gaber A. M. Mersal, Salih Al-Juaid, Samir A. El-Shazly

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A series of mixed ligand complexes, viz., [Cu(BPy)(Gly)X]Y {X = Cl (1), Y = 0; X = 0, Y = ClO4- (2); X = H2O, Y = NO3- (3); X = H2O, Y = CH3COO- (4); and [Cu(BPy)(Gly)-(H2O)]2(SO4) (5) have been synthesized. Their structures and properties were characterized by elemental analysis, thermal analaysis, IR, UV–vis, and ESR spectroscopy, as well as electrochemical measurements including cyclic voltammetry, electrical molar conductivity, and magnetic moment measurements. Complexes 1 and 2 formed slightly distorted square-pyramidal coordination geometries of CuN3OCl and CuN3O2, respectively in which the N,O-donor glycine and N,N-donor bipyridyl bind at the basal plane with chloride ion or water as the axial ligand. Complex 3 shows square planar CuN3O coordination geometry, which exhibits chemically significant hydrogen bonding interactions besides showing coordination polymer formation. The superoxide dismutase and catalase-like activities of all complexes were tested and were found to be promising candidates as durable electron-transfer catalyst being close to the efficiency of the mimicking enzymes displaying either catalase or tyrosinase activity to serve for complete reactive oxygen species (ROS) detoxification, both with respect to superoxide radicals and related peroxides. The DNA binding interaction with super coiled pGEM-T plasmid DNA was investigated by using spectral (absorption and emission) titration and electrochemical techniques. The results revealed that DNA intercalate with complexes 1 and 2 through the groove binding mode. The calculated intrinsic binding constant (Kb) of 1 and 2 were 4.71 and 2.429 × 105 M−1, respectively. Gel electrophoresis study reveals the fact that both complexes cleave super coiled pGEM-T plasmid DNA to nicked and linear forms in the absence of any additives. On the other hand, the interaction of both complexes with DNA, the quasi-reversible CuII/CuI redox couple slightly improves its reversibility with considerable decrease in current intensity. All the experimental results indicate that the bipyridyl mixed copper(II) complex (1) intercalate more effectively into the DNA base pairs.

Keywords: enzyme mimics, mixed ligand complexes, X-ray structures, antioxidant, DNA-binding, DNA cleavage

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Authors: Rafia Akbar

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This paper assesses different Energy Efficiency Measures (EEMs) and their impact on energy consumption and carbon footprint of an educational building located in Islamabad. A base case was first developed in accordance with typical construction practices in Pakistan. Several EEMs were separately applied to the baseline design to quantify their impact on operational energy reduction of the building and the resultant carbon emissions. Results indicate that by applying these measures, there is a potential to reduce energy consumption up to 49% as compared to the base case. It was observed that energy efficient ceiling fans and lights, insulation of the walls and roof and an efficient air conditioning system for the building can provide significant energy savings. The results further indicate that the initial investment cost of these energy efficiency measures can be recovered within 6 to 7 years of building’s service life.

Keywords: CO2 savings, educational building, energy efficiency measures, payback period

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Authors: M. Feliciano, F. Rodrigues, A. Gonçalves, J. M. R. C. A. Santos, V. Leite

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With the objective of characterizing the profile and performance of energy use by slaughterhouses, surveys and audits were performed in two different facilities located in the northeastern region of Portugal. Energy consumption from multiple energy sources was assessed monthly, along with production and costs, for the same reference year. Gathered data was analyzed to identify and quantify the main consuming processes and to estimate energy efficiency indicators for benchmarking purposes. Main results show differences between the two slaughterhouses concerning energy sources, consumption by source and sector, and global energy efficiency. Electricity is the most used source in both slaughterhouses with a contribution of around 50%, being essentially used for meat processing and refrigeration. Natural gas, in slaughterhouse A, and pellets, in slaughterhouse B, used for heating water take the second place, with a mean contribution of about 45%. On average, a 62 kgoe/t specific energy consumption (SEC) was found, although with differences between slaughterhouses. A prominent negative correlation between SEC and carcass production was found specially in slaughterhouse A. Estimated Specific Energy Cost and Greenhouse Gases Intensity (GHGI) show mean values of about 50 €/t and 1.8 tCO2e/toe, respectively. Main results show that there is a significant margin for improving energy efficiency and therefore lowering costs in this type of non-energy intensive industries.

Keywords: meat industry, energy intensity, energy efficiency, GHG emissions

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Authors: Astari Indarsari, Bastian B. Purba, Muhammad Fadlilah

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In Indonesian climates that have the tropic climate, one of the potential energy sources is coming from solar energy. From the solar energy, we can convert it into the others energy, such as electrical energy. In this topic, we want to do the research about Dye Sensitized Solar Cell (DSSC). The materials that we use as sensitizer is anthocyanin that we extract from apple skin, because the anthocyanin is one of the most effective as a sensitizer for DSSC. The variable in this research is pH. The pH that we used are pH 0,5; pH 1; pH 1,5; pH 2; pH 2,5. The method is electrolysis, and we use TiO2 as sensitized material. The hypothesis from this research is the smaller pH can make higher the efficiency of the absorbent of the solar energy.

Keywords: anthocyanin, TiO2, DSSC, apple skin

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Authors: Muhamad Rasyid Angkotasan

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Eco-village is an ecosystem where the countryside or urban communities that are inside trying to integrate the social environment with low impact way of life to achieve this, they integrate the various aspects of ecological design, agriculture permanent, ecological building and the alternative energy. Eco-village in question is eco-village conducted on of marine tourism areas, where natural resources are very good, without ignoring the global issue of climate change. Desperately needed a source of energy, which can support the fulfillment of energy needs in a sustainable. Fulfillment of energy sources that offer is the use or application of environmentally friendly technologies of usage is still very low in Indonesia, the technology namely the Ocean Thermal Energy Conversion (OTEC), OTEC is expected to be a source of the alternative energy, which can support the goal of eco-village of the region's of marine tourism.

Keywords: eco village, saving energy, ocean thermal energy conversion, environmental engineering

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Authors: Mohamed Moussaoui

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A series of thirty-one potential inhibitors targeting the epidermal growth factor receptor kinase (EGFR), derived from quinazoline, underwent 3D-QSAR analysis using CoMFA and CoMSIA methodologies. The training and test sets of quinazoline derivatives were utilized to construct and validate the QSAR models, respectively, with dataset alignment performed using the lowest energy conformer of the most active compound. The best-performing CoMFA and CoMSIA models demonstrated impressive determination coefficients, with R² values of 0.981 and 0.978, respectively, and Leave One Out cross-validation determination coefficients, Q², of 0.645 and 0.729, respectively. Furthermore, external validation using a test set of five compounds yielded predicted determination coefficients, R² test, of 0.929 and 0.909 for CoMFA and CoMSIA, respectively. Building upon these promising results, eighteen new compounds were designed and assessed for drug likeness and ADMET properties through in silico methods. Additionally, molecular docking studies were conducted to elucidate the binding interactions between the selected compounds and the enzyme. Detailed molecular dynamics simulations were performed to analyze the stability, conformational changes, and binding interactions of the quinazoline derivatives with the EGFR kinase. These simulations provided deeper insights into the dynamic behavior of the compounds within the active site. This comprehensive analysis enhances the understanding of quinazoline derivatives as potential anti-cancer agents and provides valuable insights for lead optimization in the early stages of drug discovery, particularly for developing highly potent anticancer therapeutics

Keywords: 3D-QSAR, CoMFA, CoMSIA, ADMET, molecular docking, quinazoline, molecular dynamic, egfr inhibitors, lung cancer, anticancer

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Authors: Patrick T. Aquino, Jimwel B. Balunday, Cephas Olivier V. Cabatit, Mary Grace Q. Razonable

Abstract:

In 2023, the Philippine Department of Energy (PDOE) published the National Energy Efficiency and Conservation Plan (NEECP) and Roadmap 2023-2050 to be the basis of a comprehensive program for the efficient supply and economical use of energy. The building sector, as one of the most energy-intensive sectors, shall conform to the energy-conserving design to reduce the use of energy. The concept of Net-Zero Energy Building (NZEB), and its definitions promote to improve energy efficiency of the buildings. The PDOE partnered with Meralco Power Academy to survey and conduct focus group discussions to establish the readiness into NZE-aspiring buildings of government entities. This paper outlines important NZEB principles, best practices from other countries, issues and gaps relating to energy management program, and the recommendations on the development of a framework for NZEB under government building in the Philippines. Results revealed the limitation on specific data to establish a baseline building energy efficiency performance index and significant energy uses; the need to update the Guidelines for Energy Conservation Design of Buildings, including NZEB definition and requirements; appropriate enabling infrastructures and programs to transition government buildings into NZE-aspiring buildings to Nearly Zero Energy Buildings by 2050.

Keywords: NZEB, energy efficiency, buildings, Philippines

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Authors: Mustafa Karimi, Chikamoto Tomoyuki

Abstract:

The building sector consumes 36% of total global energy used, whereas only residential buildings are responsible for 22% of that. In residential buildings, energy used for space heating and cooling represents the majority part of the total energy consumption. Although Afghanistan is amongst the lowest in energy usage globally, residential buildings’ energy consumption has caused serious environmental issues, especially in the capital city, Kabul. After decades of war in Afghanistan, redevelopment of the built environment started from scratch in the past years; therefore, to create sustainable urban areas, it is critical to find the most energy-efficient design parameters for buildings that will last for decades. This study aims to assess the impact of building orientation on the energy performance of buildings in Kabul. It is found that the optimal orientation for buildings in Kabul is South and South-southeast, while West-northwest and Northeast orientations are the worst in terms of energy performance. The difference in the total energy consumption between the best and the worst orientation is 17.5%.

Keywords: building orientation, energy consumption, residential buildings, Kabul, environmental issues

Procedia PDF Downloads 134

Authors: Tatyana Aleksandrovna Barbasova, Lev Sergeevich Kazarinov, Olga Valerevna Kolesnikova, Aleksandra Aleksandrovna Filimonova

Abstract:

We regard forecasting of energy consumption by private production areas of a large industrial facility as well as by the facility itself. As for production areas the forecast is made based on empirical dependencies of the specific energy consumption and the production output. As for the facility itself implementation of the task to minimize the energy consumption forecasting error is based on adjustment of the facility’s actual energy consumption values evaluated with the metering device and the total design energy consumption of separate production areas of the facility. The suggested procedure of optimal energy consumption was tested based on the actual data of core product output and energy consumption by a group of workshops and power plants of the large iron and steel facility. Test results show that implementation of this procedure gives the mean accuracy of energy consumption forecasting for winter 2014 of 0.11% for the group of workshops and 0.137% for the power plants.

Keywords: energy consumption, energy consumption forecasting error, energy efficiency, forecasting accuracy, forecasting

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Authors: Merieleen Engtipi

Abstract:

India's total share of global population is nearly 18%; however, its per capita energy consumption is only one-third of global average. The demand and supply of electricity are uneven in the country; around 240 million of the population have no access to electricity. However, with India's trajectory for modernisation and economic growth, the demand for energy is only expected to increase. India is at a crossroad, on the one hand facing the increasing demand for energy and on the other hand meeting the Paris climate policy commitments, and further the struggle to provide efficient energy. This paper analyses the policies to meet India’s need for energy, as the per capita energy consumption is likely to be double in 6-7 years period. Simultaneously, India's Paris commitment requires curbing of carbon emission from fossil fuels. There is an increasing need for renewables to be cheaply and efficiently available in the market and for clean technology to extract fossil fuels to meet climate policy goals. Fossil fuels are the most significant generator of energy in India; with the Paris agreement, the demand for clean energy technology is increasing. Finally, the U.S. decided to withdraw from the Paris Agreement; however, the two countries plan to continue engaging bilaterally on energy issues. The U.S. energy cooperation under Trump administration is significantly vital for greater energy security, transfer of technology and efficiency in energy supply and demand.

Keywords: energy demand, energy cooperation, fossil fuels, technology transfer

Procedia PDF Downloads 252