Search results for: quantum chemical

Authors: Arslan Usman, Abdul Sattar, Hamid Latif, Afshan Ashfaq, Muhammad Rafique, Martin Koch

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Two-dimensional materials have promising applications in optoelectronic and photonics; MoS₂ is the pioneer 2D material in the family of transition metal dichalcogenides. Its optical, optoelectronic, and structural properties are of practical importance along with its exciton dynamics. Exciton, along with exciton complexes, plays a vital role in realizing quantum devices. MoS₂ monolayers were synthesized using chemical vapour deposition (CVD) technique on SiO₂ and hBN substrates. Photoluminescence spectroscopy (PL) was used to identify the monolayer, which also reflects the substrate based peak broadening due to screening effects. In-plane and out of plane characteristic vibrational modes E¹₂g and A₁g, respectively, were detected in a different configuration on the substrate. The B-excitons and trions showed a dominant feature at low temperatures due to electron-phonon coupling effects, whereas their energies are separated by 100 meV.

Keywords: 2D materials, photoluminescence, AFM, excitons

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Authors: Maria Fontenele, Claude-Gilles Dussap, Vincent Dumouilla, Baptiste Boit

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Roquette Frères is a producer of plant-based ingredients that employs many processes to extract relevant molecules and often transforms them through chemical and physical processes to create desired ingredients with specific functionalities. In this context, Roquette encounters numerous multi-component complex systems in their processes, including fibers, proteins, and carbohydrates, in an aqueous environment. To develop, control, and optimize both new and old processes, Roquette aims to develop new in silico tools. Currently, Roquette uses process modelling tools which include specific thermodynamic models and is willing to develop computational methodologies such as molecular dynamics simulations to gain insights into the complex interactions in such complex media, and especially hydrogen bonding interactions. The issue at hand concerns aqueous mixtures of polyols with high dry matter content. The polyols mannitol and sorbitol molecules are diastereoisomers that have nearly identical chemical structures but very different physicochemical properties: for example, the solubility of sorbitol in water is 2.5 kg/kg of water, while mannitol has a solubility of 0.25 kg/kg of water at 25°C. Therefore, predicting liquid-solid equilibrium properties in this case requires sophisticated solution models that cannot be based solely on chemical group contributions, knowing that for mannitol and sorbitol, the chemical constitutive groups are the same. Recognizing the significance of solvation phenomena in polyols, the GePEB (Chemical Engineering, Applied Thermodynamics, and Biosystems) team at Institut Pascal has developed the COSMO-UCA model, which has the structural advantage of using quantum mechanics tools to predict formation and phase equilibrium properties. In this work, we use molecular dynamics simulations to elucidate the behavior of polyols in aqueous solution. Specifically, we employ simulations to compute essential metrics such as radial distribution functions and hydrogen bond autocorrelation functions. Our findings illuminate a fundamental contrast: sorbitol and mannitol exhibit disparate hydrogen bond lifetimes within aqueous environments. This observation serves as a cornerstone in elucidating the divergent physicochemical properties inherent to each compound, shedding light on the nuanced interplay between their molecular structures and water interactions. We also present a methodology to predict the physicochemical properties of complex solutions, taking as sole input the three-dimensional structure of the molecules in the medium. Finally, by developing knowledge models, we represent some physicochemical properties of aqueous solutions of sorbitol and mannitol.

Keywords: COSMO models, hydrogen bond, molecular dynamics, thermodynamics

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Authors: Mohd Moiz Khan, S. M. Mahajani, G. N. Jadhav

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Waste foundry sand (total clay content 15%) contains toxic heavy metals and particulate matter which make dumping of waste sand an environmental and health hazard. Disposal of waste foundry sand (WFS) remains one of the substantial challenges faced by Indian foundries nowadays. To cope up with this issue, the chemical method was used to reclaim WFS. A stirrer tank reactor was used for chemical reclamation. Experiments were performed to reduce the total clay content from 15% to as low as 0.9% in chemical reclamation. This method, although found to be effective for WFS reclamation, it may face a challenge due to the possibly high operating cost. Reclaimed sand was found to be satisfactory in terms of sand qualities such as total clay (0.9%), active clay (0.3%), acid demand value (ADV) (2.6%), loss on igniting (LOI) (3 %), grain fineness number (GFN) (56), and compressive strength (60 kPa). The experimental data generated on chemical reactor under different conditions is further used to optimize the design and operating parameters (rotation speed, sand to acidic solution ratio, acid concentration, temperature and time) for the best performance. The use of reclaimed sand within the foundry would improve the economics and efficiency of the process and reduce environmental concerns.

Keywords: chemical reclamation, clay content, environmental concerns, recycle, waste foundry sand

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Authors: Maryam Shayan

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Programming frameworks have been utilized as a part of chemical industry process safety operation and configuration to enhance its effectiveness. This paper gives a brief survey and investigation of the best in class and effects of programming frameworks in process security. A study was completed by talking staff accountable for procedure wellbeing practices in the Iranian chemical process industry and diving into writing of innovation for procedure security. This article investigates the useful and operational attributes of programming frameworks for security and endeavors to sort the product as indicated by its level of effect in the administration chain of importance. The study adds to better comprehension of the parts of Information Communication Technology in procedure security, the future patterns and conceivable gaps for innovative work.

Keywords: programming frameworks, chemical industry process, process security, administration chain, information communication technology

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Authors: Paulos Meles Yihdego

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To address the environmental impact of the cement industry and road building waste, the use of chemical stabilizers in conjunction with recycled asphalt and cement components was investigated. The silica-based chemical stabilizers and their potential effects on the base layer stabilized by cement are discussed in this paper. Strength, moisture compaction interaction, and microstructural characteristics are all examined. According to the outcome, using this stabilizer has improved the mechanical properties. The inclusion of chemical stabilizers in the combination, which is responsible for the mixture's improved strength, raised the intensity of the C-S-H (Calcium Silicate Hydrate) gel, according to a microstructural study. The design was demonstrated to be durable by the little ettringites found in the later phases. The application of this stabilizer ensures a strong, eco-friendly, durable base layer.

Keywords: ettringites, microstructure analysis, durability properties, cement stabilized base

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Authors: Rachael Olatoun Okunuga

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Developing young people’s employability is a key policy issue for ensuring their successful transition to the labour market and their access to career oriented employment. The youths of today irrespective of their gender need to acquire the knowledge, skills and attitudes that will enable them to create or find jobs as well as cope with unpredictable labour market changes throughout their working lives. In a study carried out to determine the influence of gender on job-competencies requirements of chemical-based industries and undergraduate-competencies acquisition by chemists working in the industries, all chemistry graduates working in twenty (20) chemical-based industries that were randomly selected from six sectors of chemical-based industries in Lagos and Ogun States of Nigeria were administered with Job-competencies required and undergraduate-competencies acquired assessment questionnaire. The data were analysed using means and independent sample t-test. The findings revealed that the population of female chemists working in chemical-based industries is low compared with the number of male chemists; furthermore, job-competencies requirements are found not to be gender sensitive while there is no significant difference in undergraduate-competencies acquisition of male and female chemists. This suggests that females should be given the same opportunity of employment in chemical-based industries as their male counterparts. The study also revealed the level of acquisition of undergraduate competencies as related to the needs of chemical-based industries.

Keywords: knowledge, skill, attitude, acquired, required, employability

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Authors: Aminu Musa Muhammad, Muhammad Kabiru Abubakar

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Monthly changes in Phytoplankton periodicity, nutrient levels, temperature, pH, suspended solids, dissolved solids, conductivity, dissolved oxygen and biochemical oxygen demand of Kazaure Dam, Jigawa State, Nigeria were studied for a period of six months (July-Dec.-2011). Physico-chemical result showed that temperature and pH ranged between17-25˚C and 5.5-7.5, while dissolved solids and suspended solids ranged between 95-155 mg/L and 0.13-112 mg/L respectively. Dissolved oxygen (DO), Biochemical oxygen demand (BOD), Chemical oxygen demand (COD), conductivity, nitrate, phosphate and sulphate ion concentrations were within the ranges of 3.5-3.6 mg/L, 4.8-7.2 mg/L, 8.10-12.30 mg/L, 21-58µΩ/cm, 0.2-8.1 mg/L, 2.4-18.1 mg/L, and 1.22-15.60 mg/L respectively. A total of 4514 Org/L phytoplankton were recorded, of which four classes of algae were identified. These comprised of Chlorophyta (44.1%), Cyanophyta(30.62%), Bacillariophyta(3.2%), Euglenophyta (32.1%). Descriptive statistics of the result showed that phytoplankton count varied with variation of physico-chemical parameters at 5% level during the study period. The abundance and distribution of the algae varied with the variation in the physico-chemical parameters. Pearson correlation showed that temperature and nutrients were significantly correlated with phytoplankton, while DO, sulphate and pH were insignificantly correlated, while there was no significant correlation with COD and phytoplankton.

Keywords: correlation, phytoplankton, physico chemical, kazaure dam

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Authors: S. Srednyak

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We study a class of functional partial differential equations(FPDEs). This class is suggested by Quantum Field Theory. We derive general properties of solutions to such equations. In particular, we demonstrate that they lead to systems of coupled integral equations with singular kernels. We show that solutions to such hierarchies can be sought among functions with regular singularities at a countable set of subvarieties of the physical space. We also develop a formal analogy of basic constructions of differential geometry on functional manifolds, as this is necessary for in depth study of FPDEs. We also consider the case of linear overdetermined systems of functional differential equations and show that it can be completely solved in terms of formal solutions of a functional equation that is a functional analogy of a system of determined algebraic equations. This development leads us to formally define the functional analogy of algebraic geometry, which we call functional algebraic geometry. We study basic properties of functional algebraic varieties. In particular, we investigate the case of a formally discrete set of solutions. We also define and study functional analogy of discriminants. In the case of fully determined systems such that the defining functionals have regular singularities, we demonstrate that formal solutions can be sought in the class of functions with regular singularities. This case provides a practical way to apply our results to physics problems.

Keywords: functional equations, quantum field theory, holomorphic functions, Yang Mills mass gap problem, quantum chaos

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Authors: Asibor Godwin, Adeniyi Funsho

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This study was carried out to investigate the impact of biological treated effluent on the physico-chemical properties of receiving waterbodies and also to establish its suitability for other purposes. It focused on the changes of some physic-chemical variables as one move away from the point of discharge downstream of the waterbodies. Water samples were collected from 14 sampling stations made up of the untreated effluent, treated effluent and receiving streams (before and after treated effluent discharge) over a period of 6 months spanning the dry and rainy seasons. Analyses were carried out on the following: temperature, turbidity, pH, conductivity, major anions and cation, dissolved oxygen, percentage oxygen Saturation, biological oxygen demand (BOD), solids (total solids, suspended solids and dissolved solids), nitrates, phosphates, organic matter and flow discharge using standard analytical methods. The relationships between investigated sites with regards to their physico-chemical properties were analyzed using student-t statistics. Also changes in the treated effluent receiving streams after treated effluent outfall was discussed fully. The physico-chemical water quality of the receiving water bodies meets most of the general water requirements for both domestic and industrial uses. The untreated effluent quality was shown to be of biological origin based on the biological oxygen demand, chloride, dissolved oxygen, total solids, pH and organic matter. The treated effluent showed significant improvement over the raw untreated effluent based on most parameters assessed. There was a significant difference (p<0.05) between the physico-chemical quality of untreated effluent and the treated effluent for the most of the investigated physico-chemical quality. The difference between the discharged treated effluent and the unimpacted section of the receiving waterbodies was also significant (p<0.05) for the most of the physico-chemical parameters.

Keywords: eflluent, Opa River, physico-chemical, waterbody

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Authors: J. S. S. Neto, R. A. A. Lima, D. K. K. Cavalcanti, J. P. B. Souza, R. A. A. Aguiar, M. D. Banea

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In the last decade, investments in sustainable processes and products have gained space in several segments, such as in the civil, automobile, textile and other industries. In addition to increasing concern about the development of environmentally friendly materials that reduce, energy costs and reduces environmental impact in the production of these products, as well as reducing CO2 emissions. Natural fibers offer a great alternative to replace synthetic fibers, totally or partially, because of their low cost and their renewable source. The purpose of this research is to study the effect of surface chemical treatment on the thermal properties of hybrid fiber reinforced natural fibers (NFRC), jute + ramie, jute + sisal, jute + curauá, and jute fiber in polymer matrices. Two types of chemical treatment: alkalinization and silanization were employed, besides the condition without treatment. Differential scanning calorimetry (DSC), thermogravimetry (TG) and dynamic-mechanical analysis (DMA) were performed to explore the thermal stability and weight loss in the natural fiber reinforced composite as a function of chemical treatment.

Keywords: chemical treatment, hybrid composite, jute, thermal

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Authors: Yu Qin, Wanjiaman Li

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The widespread use of mobile electronic devices increases the complexities of mobile security. This thesis aims to provide a secure communication environment for smartphone users. Some research proves that the one-time pad is one of the securest encryption methods, and that the key distribution problem can be solved by using the QKD (quantum key distribution). The objective of this project is to design an Android APP (application) to exchange several random keys between mobile phones. Inspired by QKD, the developed APP uses the quick response (QR) code as a carrier to dispatch large amounts of one-time keys. After evaluating the performance of APP, it allows the mobile phone to capture and decode 1800 bytes of random data in 600ms. The continuous scanning mode of APP is designed to improve the overall transmission performance and user experience, and the maximum transmission rate of this mode is around 2200 bytes/s. The omnidirectional readability and error correction capability of QR code gives it a better real-life application, and the features of adequate storage capacity and quick response optimize overall transmission efficiency. The security of this APP is guaranteed since QR code is exchanged face-to-face, eliminating the risk of being eavesdropped. Also, the id of QR code is the only message that would be transmitted through the whole communication. The experimental results show this project can achieve superior transmission performance, and the correlation between the transmission rate of the system and several parameters, such as the QR code size, has been analyzed. In addition, some existing technologies and the main findings in the context of the project are summarized and critically compared in detail.

Keywords: one-time pad, QKD (quantum key distribution), QR code, application

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Authors: Sahil Imtiyaz

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One of the biggest challenges has emerged from the ever-expanding, dynamic, and instantaneously changing space-Big Data; and to find a data point and inherit wisdom to this space is a hard task. In this paper, we reduce the space of big data in Hamiltonian formalism that is in concordance with Ising Model. For this formulation, we simulate the system using dye laser in FORTRAN and analyse the dynamics of the data point in energy well of rhodium atom. After mapping the photon intensity and pulse width with energy and potential we concluded that as we increase the energy there is also increase in probability of tunnelling up to some point and then it starts decreasing and then shows a randomizing behaviour. It is due to decoherence with the environment and hence there is a loss of ‘quantumness’. This interprets the efficiency parameter and the extent of quantum evolution. The results are strongly encouraging in favour of the use of ‘Topological Property’ as a source of information instead of the qubit.

Keywords: big data, optimization, quantum evolution, hamiltonian, dye laser, fermionic computations

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Authors: Fatima Benchikh-Amiraa, Hocine Laouerb, Smain Amiraa, Guido Flaminic

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The essential oils of the aerial parts of Lavandula multifida and L. stoechas were extracted at the full bloom stage by hydrodistillation and theirs chemical compositions were estimated by means of gas chromatography–mass spectrometry (GC–MS). A total of 46 and 67 constituents were identified representing 95.5% and 98.2% of the total oils, respectively. The main components of L. multifida oil were carvacrol (63.8%), beta-bisabolene (8.7%), spathulenol (6.2%), caryophyllene oxide (3.6%) and linalool (2.9%). The oil of L. stoechas was dominated by fenchone (63.9%), camphor (7.8%), 1,8-cineole (5.3%) and myrtenyl acetate (4.2).

Keywords: essential oils, Lavandula multifida, Lavandula stoechas, chemical and molecular engineering

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Authors: E. M. S. Azzam, S. A. Ahmed, H. H. Mohamed, M. A. Adly, E. A. M. Gad

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In this work we prepared 3-(p-methyl) phenyl-5-thionyl-1,2,4-triazoline (C1). The nanostructure of the prepared C1 compound was fabricated by assembling on silver nanoparticles. The UV and TEM analyses confirm the assembling of C1 compound on silver nanoparticles. The effect of C1 compound on the removal of Iron (II) from Iron contaminated samples and industrial wastewater samples (produced water from oil processing facility) were studied before and after their assembling on silver nanoparticles. The removal of Iron was studied at different concentrations of FeSO4 solution (5, 14 and 39 mg/l) and field sample concentration (661 mg/l). In addition, the removal of Iron (II) was investigated at different times. The Prepared compound and its nanostructure with AgNPs show highly efficient in removing the Iron ions. Quantum chemical descriptors using DFT was discussed. The output of the study pronounces that the C1 molecule can act as chelating agent for Iron (II).

Keywords: triazole derivatives, silver nanoparticles, iron (II), oil field

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Authors: C. P. Autry, A. W. Roscoe, Mykhailo Magal

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We discuss the theoretical model underlying 2BPA (two-band peer authentication), a practical alternative to conventional authentication of entities and data in IoT. In essence, this involves assembling a virtual map of authentication assets in the network, typically leading to many paths of confirmation between any pair of entities. This map is continuously updated, confirmed, and evaluated. The value of authentication along multiple disjoint paths becomes very clear, and we require analogues of triangulation to extend authentication along extended paths and deliver it along all possible paths. We discover that if an attacker wants to make an honest node falsely believe she has authenticated another, then the length of the authentication paths is of little importance. This is because optimal attack strategies correspond to minimal cuts in the authentication graph and do not contain multiple edges on the same path. The authentication provided by disjoint paths normally is additive (in entropy).

Keywords: authentication, edge computing, industrial IoT, post-quantum resistance

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Authors: Asif Jan

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Sodium hypochlorite (NaClO) is a common cleaning agent for ultrafiltration (UF) membranes. While its detrimental effects on polymeric membranes are well-documented, its impact on ceramic membranes remains less explored. This study investigates the chemical stability of silicon carbide (SiC) UF membranes prepared using low-pressure chemical vapor deposition (LP-CVD) during prolonged NaClO exposure. SiC UF membranes were fabricated via LP-CVD at two different temperature and pressure conditions. LP-CVD offers the advantage of SiC membrane fabrication at significantly lower temperatures (700-900°C) compared to conventional methods. The membranes were subjected to 200 hours of NaClO aging to assess their resilience. Before and after aging, we evaluated the properties and performance of the SiC UF membranes to identify optimal LP-CVD conditions. Our findings show that SiC UF membranes produced at 860°C via LP-CVD exhibit exceptional resistance to NaClO aging, whereas those prepared at 750°C experience significant deterioration. This highlights the crucial role of precise LP-CVD parameters in ensuring the robustness and long-term performance of SiC membranes in harsh chemical cleaning environments.

Keywords: ceramic membranes, ultrafiltration membranes, wastewater treatment, chemical vapor deposition

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Authors: Francisco Bulnes

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Through the Fukaya conjecture and the wrapped Floer cohomology, the correspondences between paths in a loop space and states of a wrapping space of states in a Hamiltonian space (the ramification of field in this case is the connection to the operator that goes from TM to T*M) are demonstrated where these last states are corresponding to bosonic extensions of a spectrum of the space-time or direct image of the functor Spec, on space-time. This establishes a distinguished diffeomorphism defined by the mapping from the corresponding loops space to wrapping category of the Floer cohomology complex which furthermore relates in certain proportion D-branes (certain D-modules) with strings. This also gives to place to certain conjecture that establishes equivalences between moduli spaces that can be consigned in a moduli identity taking as space-time the Hitchin moduli space on G, whose dual can be expressed by a factor of a bosonic moduli spaces.

Keywords: Floer cohomology, Fukaya conjecture, Lagrangian submanifolds, quantum topological diffeomorphism

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Authors: Roman Snytsar

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Pseudo-random numbers are often used in scientific computing such as the Monte Carlo Simulations or the Quantum Inspired Optimization. Requirements for a parallel random number generator running in the modern multi-core vector environment are more stringent than those for sequential random number generators. As well as passing the usual quality tests, the output of the parallel random number generator must be verifiable and reproducible throughout the concurrent execution. We propose a family of vectorized Permuted Congruential Generators. Implementations are available for multiple modern vector modern computer architectures. Besides demonstrating good single core performance, the generators scale easily across many processor cores and multiple distributed nodes. We provide performance and parallel speedup analysis and comparisons between the implementations.

Keywords: pseudo-random numbers, quantum optimization, SIMD, parallel computing

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Authors: Elackiya Sithamparanathan

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Chemical agents used during the Sri Lankan civil war continue to threaten human and environmental health as affected areas are re-settled. Bioremediation is a cost-effective and eco-friendly approach to degrading chemical agents, and has greater public acceptance than chemical degradation. Baseline data on contaminant distribution, environmental parameters, and indigenous microbes are required before bioremediation can commence. The culture and isolate of suitable microbes and enzymes should be followed by laboratory trials, before field application and long-term monitoring of contaminant concentration, soil parameters, microbial ecology, and public health to monitor environmental and public health. As local people are not aware of the persistence of warfare chemicals and do not understand the potential impacts on human health, community awareness programs are required. Active community participation, and collaboration with international and local agencies, would contribute to the success of bioremediation and the effective removal of chemical agents in war affected areas of Sri Lanka.

Keywords: bioremediation, environmental protection, human health, war affected regions in Sri Lanka

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Authors: Guillaume Caulier, Lola Brasseur, Patrick Flammang, Pascal Gerbaux, Igor Eeckhaut

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Saponins and quinones are two major groups of secondary metabolites widely distributed in the biosphere. More specifically, triterpenoid saponins and anthraquinones are mainly found in a wide variety of plants, bacteria and fungi. In the animal kingdom, these natural organic compounds are rare and only found in small quantities in arthropods, marine sponges and echinoderms. In this last group, triterpenoid saponins are specific to holothuroids (sea cucumbers) while anthraquinones are the chemical signature of crinoids (feather stars). Depending on the species, they present different molecular cocktails. Despite presenting different chemical properties, these molecules share numerous similarities. This study compares the biological distribution, the pharmacological effects and the ecological roles of holothuroid saponins and crinoid anthraquinones. Both of them have been defined as allomones repelling predators and parasites (i.e. chemical defense) and have interesting pharmacological properties (e.g. anti-bacterial, anti-fungal, anti-cancer). Our study investigates the chemical ecology of two symbiotic associations models; between the snapping shrimp Synalpheus stimpsonii associated with crinoids and the Harlequin crab Lissocarcinus orbicularis associated with holothuroids. Using behavioral experiments in olfactometers, chemical extractions and mass spectrometry analyses, we discovered that saponins and anthraquinones present a second ecological role: the attraction of obligatory symbionts towards their hosts. They can, therefore, be defined as kairomones. This highlights a new paradigm in marine chemical ecology: Chemical repellents are attractants to obligatory symbionts because they constitute host specific chemical signatures.

Keywords: anthraquinones, kairomones, marine symbiosis, saponins, attractant

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Authors: Ahmed O. Apampa, Yinusa A. Jimoh

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The paper examines the mechanism of pozzolan-soil reactions, using a recent study on the chemical stabilization of a Class A-2-7 (3) lateritic soil, with corn cob ash (CCA) as case study. The objectives are to establish a nexus between cation exchange capacity of the soil, the alkaline forming compounds in CCA and percentage CCA addition to soil beyond which no more improvement in strength properties can be achieved; and to propose feasible chemical reactions to explain the chemical stabilization of the lateritic soil with CCA alone. The lateritic soil, as well as CCA of pozzolanic quality Class C were separately analysed for their metallic oxide composition using the X-Ray Fluorescence technique. The cation exchange capacity (CEC) of the soil and the CCA were computed theoretically using the percentage composition of the base cations Ca²⁺, Mg²⁺ K⁺ and Na²⁺ as 1.48 meq/100 g and 61.67 meq/100 g respectively, thus indicating a ratio of 0.024 or 2.4%. This figure, taken as the theoretical amount required to just fill up the exchangeable sites of the clay molecules, compares well with the laboratory observation of 1.5% for the optimum level of CCA addition to lateritic soil. The paper went on to present chemical reaction equations between the alkaline earth metals in the CCA and the silica in the lateritic soil to form silicates, thereby proposing an extension of the theory of mechanism of soil stabilization to cover chemical stabilization with pozzolanic ash only. The paper concluded by recommending further research on the molecular structure of soils stabilized with pozzolanic waste ash alone, with a view to confirming the chemical equations advanced in the study.

Keywords: cation exchange capacity, corn cob ash, lateritic soil, soil stabilization

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Authors: Yagahira E. Castro-Sesquen, Chloe Kim, Robert H. Gilman, David J. Sullivan, Peter C. Searson

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Diagnosis of severe malaria is particularly important in highly endemic regions since most patients are positive for parasitemia and treatment differs from non-severe malaria. Diagnosis can be challenging due to the prevalence of diseases with similar symptoms. Accurate diagnosis is increasingly important to avoid overprescribing antimalarial drugs, minimize drug resistance, and minimize costs. A nanoparticle-based assay for detection and quantification of Plasmodium falciparum histidine-rich protein 2 (HRP2) in urine and serum is reported. The assay uses magnetic beads conjugated with anti-HRP2 antibody for protein capture and concentration, and antibody-conjugated quantum dots for optical detection. Western Blot analysis demonstrated that magnetic beads allows the concentration of HRP2 protein in urine by 20-fold. The concentration effect was achieved because large volume of urine can be incubated with beads, and magnetic separation can be easily performed in minutes to isolate beads containing HRP2 protein. Magnetic beads and Quantum Dots 525 conjugated to anti-HRP2 antibodies allows the detection of low concentration of HRP2 protein (0.5 ng mL-1), and quantification in the range of 33 to 2,000 ng mL-1 corresponding to the range associated with non-severe to severe malaria. This assay can be easily adapted to a non-invasive point-of-care test for classification of severe malaria.

Keywords: HRP2 protein, malaria, magnetic beads, Quantum dots

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Authors: Douglas Yeboah, Jai Singh

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It has been experimentally demonstrated that exciton diffusion length in organic solids can be improved by fine-tuning the material parameters that govern exciton transfer. Here, a theoretical study is carried out to support this finding. We have therefore derived expressions for the exciton diffusion length and diffusion coefficient of singlet and triplet excitons using Förster resonance energy transfer and Dexter carrier transfer mechanisms and are plotted as a function of photoluminescence (PL) quantum yield, spectral overlap integral, refractive index and dipole moment of the photoactive material. We found that singlet exciton diffusion length increases with PL quantum yield and spectral overlap integral, and decreases with increase in refractive index. Likewise, the triplet exciton diffusion length increases when PL quantum yield increases and dipole moment decreases. The calculated diffusion lengths in different organic materials are compared with existing experimental values and found to be in reasonable agreement. The results are expected to provide insight in developing new organic materials for fabricating bulk heterojunction (BHJ) organic solar cells (OSCs) with better photoconversion efficiency.

Keywords: Dexter carrier transfer, diffusion coefficient, exciton diffusion length, Föster resonance energy transfer, photoactive materials, photophysical parameters

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Authors: Azizul Haque, Kamrun Nahar

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Field experiments were conducted to reduce the chemical fertilizers with the integrated use of straight and phospho- vermicompost with chemical fertilizers in T. aman-Boro rice cropping pattern at the BINA farm, Mymensingh during 2019-20. Six treatments were used in the experiment for both the crops. The treatments used for T. aman rice (Binadhan 17) with straight vermicompost were as follows: T1: Native soil fertility, T2: 100% N from Chemical Fertilizer (CF), T3:70%N from CF, T4: 30% N from vermicompost-3 + 70% N from CF and T5:30% N from vermicompost-4 + 70% N from CF and T6: 100% PKS only. The treatments of Boro rice (var. Binadhan -10) with phospho-vermicompost were: T1: Native soil fertility, T2: 100% NPKS from chemical fertilizer (CF), T3:75% NKS from CF (Non IPNS) with 1 t ha-1 Phospho-vermicompost (P-Vermicom), T4: 100% NKS (IPNS) with 2 t ha-1 P-Vermicom, T5: 100% NKS from CF (Non IPNS) with 2 t ha-1 P-Vermicom and T6: 100% NKS. The experiments were conducted in a Randomized Complete Block Design with three replications. The treatment T5 (5.5 t ha-1) gave maximum grain yield of T.aman rice followed by the treatment T4 (5.4 t ha-1). But the treatmentsT5, T4, and T2 gave identical grain yields of T. aman rice. Similar results were observed in case of straw yields of T. Aman rice. The result indicated that 70% N from CF with 30% N from either straight vermicompost-3 or straight vermicompost-4 gave comparable yield to the sole application of 100% N from CF alone. Therefore, 30% chemical fertilizers (N, P, K and S) could be saved with the integrated (IPNS) use of vermicompost-3 or vermicompost-4 in the cultivation of T. aman rice. Application of Phospho-vermicompost significantly influenced the yield and yield contributing characters of Boro rice (Binadhan-10). The treatment T4 (7.23.0 t ha-1) gave maximum grain yield of Boro rice followed by the treatments T2 and T5. But the treatments T2 and T5 produced statistically similar grain yields. The results from the treatment T4 (100% NKS (IPNS) with 2.0 t ha-1P-Vermicom) indicated that full demand of P could be met up from 2 t ha-1 Phospho-vermicompost with IPNS chemical fertilizers (NKS) which was sufficient for attaining the highest grain yield of Boro rice than that of the treatment T2 (100% NPKS from CF) and the treatmentT5 (100% NKS from CF (Non IPNS) + 2 t ha-1 Phospho-vermicompost). The results revealed that 100% P and substantial amount of N (21%), K (44.6%) and S (53.7%) fertilizers could be saved with the integrated use of Phospho-vermicompost in the cultivation of Boro rice. In case of Boro rice partial cost benefit analysis showed that the application of Phospho-vermicompost (@2 tha--1) with IPNS chemical fertilizes (NKS) gave higher return of Tk. 18,213 / - than that of only 100% chemical fertilizer. Therefore, use of Phospho-vermicompost was beneficial for the cultivation of Boro rice in combination with suitable dose of chemical fertilizers.

Keywords: phosphovermicompost, cropping pattern, rice yield, chemical fertilizer

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Authors: Vasant Reddy, Shivani A. Singh, Pravin S. More

Abstract:

In the present investigation, we demonstrated the fabrication of few-layers of graphene sheets with alkali metal i.e. Rb-G using chemical route method. The obtained materials were characterized by means of chemical, structural and electrical techniques, using the ultraviolet-visible spectroscopy (UV-Vis), Fourier transform infrared spectroscopy (FTIR), X-ray powder diffraction (XRD), scanning electron microscopy (SEM) and 4 points probe, respectively. The XRD studies were carried out to understand the phase of the samples where we found a sharp peak of Rb-G at 26.470. UV-Spectroscopy of Graphene and Rb-modified graphene samples shows the absorption peaks at ~248 nm and ~318 nm respectively. These analyses show that this modified material can be useful for gas sensing applications and to be used in diverse areas.

Keywords: chemical route, graphene, gas sensing, UV-spectroscopy

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Authors: T. Angeline Priyanka, R. Ganesan

Abstract:

Recent trends in microelectronics technology have gradually changed the strategies used in very large scale integration (VLSI) circuits. Complementary Metal Oxide Semiconductor (CMOS) technology has been the industry standard for implementing VLSI device for the past two decades, but due to scale-down issues of ultra-low dimension achievement is not achieved so far. Hence it paved a way for Quantum Cellular Automata (QCA). It is only one of the many alternative technologies proposed as a replacement solution to the fundamental limit problem that CMOS technology will impose in the years to come. In this brief, presented a new adder that possesses high speed of operation occupying less area is proposed. This adder is designed especially for error tolerant application. Hence in the proposed adder, the overall area (cell count) and simulation time are reduced by 88 and 73 percent respectively. Various results of the proposed adder are shown and described.

Keywords: quantum cellular automata, carry look ahead adder, ripple carry adder, lossy application, majority gate, crossover

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Authors: Francis Machumi, Ester Innocent, Pius Yanda, Philip C. Stevenson

Abstract:

Curative dependence of traditionally used medicinal plants on season of harvest is an alleged claim by traditional health practitioners. This study intended to verify these claims by investigating antifungal activity and chemical composition of traditionally used medicinal plants Turraea holstii and Clausena anisata harvested in rainy season and dry season. The antifungal activities were determined by broth microdilution method whereas chemical profiling of the extracts from the plant materials was done by gas chromatography (GC). Results indicated that extracts of plant materials harvested in dry season showed enhanced antifungal activity as compared to extracts of plant materials harvested in rainy season. GC chromatograms showed overalls increase in number and amount of chemical species for extracts of plant materials harvested in dry season as compared to extracts of plant materials harvested in rainy season.

Keywords: antifungal activity, chemical composition, medicinal plants, seasonal dependence

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Authors: Zahra Neffah, Henda Kahalerras

Abstract:

A numerical study is made in a parallel-plate porous channel subjected to an oscillating flow and an exothermic chemical reaction on its walls. The flow field in the porous region is modeled by the Darcy–Brinkman–Forchheimer model and the finite volume method is used to solve the governing equations. The effects of the modified Frank-Kamenetskii (FKm) and Damköhler (Dm) numbers, the amplitude of oscillation (A), and the Strouhal number (St) are examined. The main results show an increase of heat and mass transfer rates with A and St, and their decrease with FKm and Dm.

Keywords: chemical reaction, heat and mass transfer, oscillating flow, porous channel

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Authors: Chiung-Chin Huang, Jui-Yen Lin, Yao-Hui Huang

Abstract:

Among current techniques of boron removal from wastewater with high boron concentration, chemical oxo-precipitation (COP) is one of the promising methods due to its milder condition. COP uses H2O2 to transform boric acid to perborates which can easily precipitate with barium ions at room temperature. However, the generation of the waste sludge that requires sludge/water separation and sludge dewatering is troublesome. This work presents an innovative technology which integrates chemical oxo-precipitation (COP) with fluidized-bed homogeneous granulation (FBHG) to reclaim boron as homogeneous perborate particles. By conducting COP in a fluidized-bed reactor, the barium perborate can be granulated to form homogeneous particles (>1.0 mm) with low water content (< 10%). Under the suitable condition, more than 70% of boron can be recovered from 600 ppm of boron solution and the residual boron is lower than 100 ppm.

Keywords: barium, perborate, chemical oxo-precipitation, boron removal, fluidized-bed, granulation

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Authors: M. Habibi

Abstract:

The feasibility of proton-boron fusion in plasmoids caused by magneto hydrodynamics instabilities in plasma focus devices is studied analytically. In plasmoids, fusion power for 76 keV < Ti < 1500 keV exceeds bremsstrahlung loss (W/Pb=5.39). In such situation gain factor and the ratio of Te to Ti for a typical 150 kJ plasma focus device will be 7.8 and 4.8 respectively. Also with considering the ion viscous heating effect, W/Pb and Ti/Te will be 2.7 and 6 respectively. Strong magnetic field will reduces ion-electron collision rate due to quantization of electron orbits. While approximately there is no change in electron-ion collision rate, the effect of quantum magnetic field makes ions much hotter than electrons which enhance the fraction of fusion power to bremsstrahlung loss. Therefore self-sustained p-11B fusion reactions would be possible and it could be said that p-11B fuelled plasma focus device is a clean and efficient source of energy.

Keywords: plasmoids, p11B fuel, ion viscous heating, quantum magnetic field, plasma focus device

Procedia PDF Downloads 430