Search results for: split ring resonators

Authors: Feng Wang, Vladislav Vasilyev

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Ferrocene (Fe(C5H5)2, i.e., di-cyclopentadienyle iron (FeCp2) or Fc) is a unique example of ‘wrong but seminal’ in chemistry history. It has significant applications in a number of areas such as homogeneous catalysis, polymer chemistry, molecular sensing, and nonlinear optical materials. However, the ‘molecular carousel’ has been a ‘notoriously difficult example’ and subject to long debate for its conformation and properties. Ferrocene is a dynamic molecule. As a result, understanding of the dynamical properties of ferrocene is very important to understand the conformational properties of Fc. In the present study, molecular dynamic (MD) simulations are performed. In the simulation, we use 5 geometrical parameters to define the overall conformation of Fc and all the rest is a thermal noise. The five parameters are defined as: three parameters d---the distance between two Cp planes, α and δ to define the relative positions of the Cp planes, in which α is the angle of the Cp tilt and δ the angle the two Cp plane rotation like a carousel. Two parameters to position the Fe atom between two Cps, i.e., d1 for Fe-Cp1 and d2 for Fe-Cp2 distances. Our preliminary MD simulation discovered the five parameters behave differently. Distances of Fe to the Cp planes show that they are independent, practically identical without correlation. The relative position of two Cp rings, α, indicates that the two Cp planes are most likely not in a parallel position, rather, they tilt in a small angle α≠ 0°. The mean plane dihedral angle δ ≠ 0°. Moreover, δ is neither 0° nor 36°, indicating under those conditions, Fc is neither in a perfect eclipsed structure nor a perfect staggered structure. The simulations show that when the temperature is above 80K, the conformers are virtually in free rotations, A very interesting result from the MD simulation is the five C-Fe bond distances from the same Cp ring. They are surprisingly not identical but in three groups of 2, 2 and 1. We describe the pentagon formed by five carbon atoms as ‘turtle swimming’ for the motion of the Cp rings of Fc as shown in their dynamical animation video. The Fe- C(1) and Fe-C(2) which are identical as ‘the turtle back legs’, Fe-C(3) and Fe-C(4) which are also identical as turtle front paws’, and Fe-C(5) ---’the turtle head’. Such as ‘turtle swimming’ analog may be able to explain the single substituted derivatives of Fc. Again, the mean Fe-C distance obtained from MD simulation is larger than the quantum mechanically calculated Fe-C distances for eclipsed and staggered Fc, with larger deviation with respect to the eclipsed Fc than the staggered Fc. The same trend is obtained for the five Fe-C-H angles from same Cp ring of Fc. The simulated mean IR spectrum at 7K shows split spectral peaks at approximately 470 cm-1 and 488 cm-1, in excellent agreement with quantum mechanically calculated gas phase IR spectrum for eclipsed Fc. As the temperature increases over 80K, the clearly splitting IR spectrum become a very board single peak. Preliminary MD results will be presented.

Keywords: ferrocene conformation, molecular dynamics simulation, conformer orientation, eclipsed and staggered ferrocene

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Authors: Akila Tayeb-Benmachiche, Saber-Mustapha Zendaoui, Salah-Eddine Bouaoud, Bachir Zouchoune

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The variation of the metal coordination site in π-coordinated polycyclic aromatic hydrocarbons (PAH) corresponds to the haptotropic rearrangement or haptotropic migration in which the metal fragment MLn is considered as the moveable moiety that is shifted between two rings of polycyclic or heteropolycyclic ligands. These structural characteristics and dynamical properties give to this category of transition metal complexes a considerable interest. We have investigated the coordination and the haptotropic shifts of (CO)3Ti and CpV moieties over the phenanthridine aromatic system and according to the metal atom nature. The optimization of (CO)3Ti(PHND) and CpV(PHND), using the Amsterdam Density Functional (ADF) program, without a symmetrical restriction of geometry gives an η6 coordination mode of the C6 and C5N rings, which in turn give rise to a six low-lying deficient 16-MVE of each (CO)3Ti(PHND) and CpV(PHND) structure (three singlet and three triplet state structures for Ti complexes and three triplet and three quintet state structures for V complexes). Thus, the η6–η6 haptotropic migration of the metal fragment MLn from the terminal C6 ring to the central C5N ring has been achieved by a loss of energy. However, its η6–η6 haptotropic migration from central C5N ring to the terminal C6 rings has been accomplished by a gain of energy. These results show the capability of the phenanthridine ligand to adapt itself to the electronic demand of the metal in agreement with the nature of the metal–ligand bonding and demonstrate that this theoretical study can also be applied to large fused π-systems.

Keywords: electronic structure, bonding analysis, density functional theory, coordination chemistry haptotropic migration

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Authors: Muhammad Jahangeer Munir, Liaqat Ali Qureshi, Junaid Ahmed

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This paper presents the investigation regarding use of glass fibers in structural concrete members and determining the behavior of normal PCC, GFRC and retrofitted GFRC under different tests performed in the laboratory. Effect of retrofitting on the GFRC & PCC was investigated by using three patterns of CFRP wrapping. Properties like compressive, split tensile and flexural strength of normal GFRC and retrofitted GFRC were investigated and compared with their PCC counterparts. It was found that GFRC has more compressive strength as compared to PCC. At lower confinement pressures PCC behaves better than GFRC. Confinement efficiency was lower in GFRC as compared to PCC in terms of Split tensile strength. In case of GFRC all the patterns of wrapped CFRP strips showed more strength than their PCC counterparts.

Keywords: carbon fiber reinforced polymers, confinement, glass fibers, retrofitting

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Authors: Niran Watchrodom

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An experimental study was carried out to investigate the energy performance of a 1.5 Tr commercial split type air conditioner operating at different indoor set points and different air flowrate circulating through the cooling coil. The refrigerant R-22 was used as working fluid. In this paper, the test conditions considered were varied as follows: The room temperature varied from 23, 24, 25, 26, and 27 C, the air velocity passing through the evaporator was varied from 1.9, 2.1 and 2.4 m/s. The air velocity passing through the condenser was kept constant at 5 m/s. The results showed that when the indoor temperature was high, 27 C, and air velocity was 1.9 m/s, the coefficient of performance (COP) of the system was 3.74. The electrical power consumption of compressor was 1.64 kW, the rate of heat transfer in the condenser and evaporator were 7.79 and 6.10 kW, respectively. The amount corresponding amount of condensed water coming out of evaporator was 8.20 liter. The system can applied to commercial building.

Keywords: condensed water, coefficient of performance, air velocity

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Authors: Changde Zhang, Qiang Zhang, Shilong Zheng, Jiawang Liu, Shanchun Guo, Qiu Zhong, Guangdi Wang

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Fulvestrant was approved by FDA to treat breast cancer as a selective estrogen receptor downregulator (SERD) with intramuscular injection administration. ZB716, a fulvestarnt-3 boronic acid, is an SERD with comparable anticancer effect to fulvestrant, but could produce good pharmacokinetic properties under oral administration with mice or rat models. To understand why ZB716 produced much better oral bioavailability, it was proposed that the boronic acid blocked the phase II direct biotransformation with the hydroxyl group on the 3 position of the aromatic ring on fulvestrant. In this study, ZB716 or fulvestrant was incubated with human liver microsome and oxidation cofactor NADPH in vitro. Their metabolites after oxidation were profiled with the Q-Exactive, a high-resolution mass spectrometer. The result showed that ZB716 blocked the forming of hydroxyl groups on its benzene ring except for the oxidation of C-B bond forming fulvestrant in its metabolites, and the concentration of fulvestrant with one more hydroxyl group found in the metabolites from incubation with fulvestrant was about 34 fold high as that formed from incubation with ZB716. Compared to fulvestrant, ZB716 is expected to be much difficult to be further bio-transformed into more hydrophilic compounds, to be difficult excreted out of blood system, and to have longer residence time in blood, which can lead to higher oral bioavailability. This study provided evidence to explain the high bioavailability of ZB716 after oral administration from the perspective of its difficulty of oxidation, a phase I biotransformation, on positions on its aromatic ring.

Keywords: biotransformation, fulvestrant, metabolite profiling, ZB716

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Authors: S. Jagadeesh Kumar

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Face detection and recognition is an authoritative technology for image database management, video surveillance, and human computer interface (HCI). Face recognition is a rapidly nascent method, which has been extensively discarded in forensics such as felonious identification, tenable entree, and custodial security. This paper recommends an erudite technique using curvature analysis (CA) that has less false positives incidence, operative in different light environments and confiscates the artifacts that are introduced during image acquisition by ring correction in polar coordinate (RCP) method. This technique affronts mean and median filtering technique to remove the artifacts but it works in polar coordinate during image acquisition. Investigational fallouts for face detection and recognition confirms decent recitation even in diagonal orientation and stance variation.

Keywords: curvature analysis, ring correction in polar coordinate method, face detection, face recognition, human computer interaction

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Authors: John E. Sani, Moses George

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The paper presents the result of a laboratory study carried out on lateritic soil to determine the effects of dimensional size on the volumetric shrinkage strain (VSS) using three mould sizes i.e. split former mould, proctor mould and California bearing ratio (CBR) mould at three energy levels; British standard light (BSL), West African standard (WAS) and British standard heavy (BSH) respectively. Compactions were done at different molding water content of -2 % to +6 % optimum moisture content (OMC). At -2% to +2% molding water content for the split former mould the volumetric shrinkage strain met the requirement of not more than 4% while at +4% and +6% only the WAS and BSH met the requirement. The proctor mould and the CBR mould on the other hand gave a lower value of volumetric shrinkage strain in all compactive effort and the values are lower than the 4% safe VSS value.

Keywords: lateritic soil, volumetric shrinkage strain, molding water content, compactive effort

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Authors: Dawei Xia, Benyan Jiang, Yong Li

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Split-type air conditioners is widely used for indoor temperature regulation in urban residential buildings in summer in China. The energy-related occupant behavior has a great impact on building energy consumption. Obtaining the energy-related occupant behavior data of air conditioners is the research basis for the energy consumption prediction and simulation. Relying on the development of sensing and control technology, this paper selects Zigbee intelligent electronic equipment to monitor the energy-related occupant behavior of 20 households for 3 months in summer. Through analysis of data, it is found that people of different ages in the region have significant difference in the time, duration, frequency, and energy consumption of air conditioners, and form a data model of three basic energy-related occupant behavior patterns to provide an accurate simulation of energy.

Keywords: occupant behavior, Zigbee, split air conditioner, energy simulation

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Authors: T. B. Anil Kumar, Mallikarjun Hiremath, V. Ramachandra

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The present experimental investigation deals with the quality performance analysis of cement concrete with 0, 15 and 25% fly ash and 0, 0.2, 0.4 and 0.6% of polypropylene fibers by weight of cement. The various test parameters like workability, unit weight, compressive strength, flexural strength, split tensile strength and abrasion resistance are detailed in the analysis. The compressive strength of M40 grade concrete attains higher value by the replacement of cement by 15% fly ash and at 0.4% PP after 28 and 56 days of curing. Higher flexural strength of concrete was observed by the replacement of cement by 15% fly ash with 0.2% PP after 28 and 56 days of curing. Similarly, split tensile strength value also increases and attains higher value by the replacement of cement by 15% fly ash with 0.4% PP after 28 and 56 days of curing. The percentage of wear gets reduced to 30 to 33% by the addition of fibers at 0.2%, 0.4% and 0.6% in cement concrete replaced by 15 and 25% fly ash. Hence, it is found that the pavement thickness gets reduced up to 20% when compared with plain concrete slab by the 15% fly ash treated with 0.2% PP fibers and also reduced up to 27% of surface course cost.

Keywords: cement, fly ash, polypropylene fiber, pavement design, cost analysis

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Authors: Kazushi Murata, Fabian Watermann, O. B. Herve Gonroudobou, Le Thuy Hang, Toshiro Yamanaka, M. Larry Lopez C.

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Aims: Black pine coastal forests play an important role as a windbreak and as a natural barrier to sand and salt spray inland in Japan. The recent invasion of N₂-fxing black locust (Robinia pseudoacacia) trees in these forests is expected to have a nutritional contribution to black pine trees growth. Thus, the effect of this new source of N on black pine trees' N assimilation needs to be assessed. Methods: In order to evaluate this contribution, tree-ring isotopic composition (δ¹⁵N) and nitrogen content (%N) of black pine (Pinus thunbergii) trees in a pure stand (BPP) and a mixed stand (BPM) with black locust (BL) trees were measured for the period 2000–2019 for BPP and BL and 1990–2019 for BPM. The same measurements were conducted in plant tissues and in soil samples. Results: The tree ring δ15N values showed that for the last 30 years, BPM trees gradually switched from BPP to BL-derived soil N starting in the 1990s, becoming the dominant N source from 2000 as no significant diference was found between BPM and BL tree ring δ¹⁵N values from 2000 to 2019. No difference in root and sapwood BPM and BL δ¹⁵N values were found, but BPM foliage (−2.1‰) was different to BPP (−4.4‰) and BL (−0.3‰), which is related to the different N assimilation pathways between BP and BL. Conclusions: Based on the results of this study, the assimilation of BL-derived N inferred from the BPM tissues' δ¹⁵N values is the result of an increase in soil bioavailable N with a higher δ¹⁵N value.

Keywords: nitrogen-15, N₂-fxing species, mixed stand, soil, tree rings

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Authors: Sifatullah Bahij, Safiullah Omary, Francoise Feugeas, Amanullah Faqiri

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Plastic packages have been broadly used for a long time. Such widespread usage of plastic has resulted in an increased amount of plastic wastes and many environmental impacts. Plastic wastes are one of the most significant types of waste materials because of their non-degradation and low biodegradability. It is why many researchers tried to find a safe and environmentally friendly solution for plastic wastes. In this goal, in the civil engineering industry, many types of plastic wastes have been incorporated, as a partial substitution of aggregates or as additive materials (fibers) in concrete mixtures because of their lengthier lifetime and lower weight. This work aims to study the mechanical properties (compressive, split tensile and flexural strengths) of concrete with a water-cement ratio (w/c) of 0.45 and with the incorporation of non-woven PET plastic sheets. Five configurations -without PET (reference), 1-layer sheet, 2-side, 3-side, and full sample wrapping- were applied. The 7, 14 and 28-days samples’ compressive strengths, flexural strength and split tensile strength were measured. The outcomes of the study show that the compressive strength was improved for the wrapped samples, particularly for the cylindrical specimens. Also, split tensile and flexural behaviors of the wrapped samples improved significantly compared to the reference ones. Moreover, reference samples were damaged into many parts after mechanical testing, while wrapped specimens were taken by the applied configurations and were not divided into many small fragments. Therefore, non-woven fabrics appeared to improve some properties of the concrete.

Keywords: solid waste plastic, non-woven polyethylene terephthalate sheets, mechanical behaviors, crack pattern

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Authors: Young Min Kim, Jeong Lak Sohn, Eui Soo Yoon

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This study describes the optimization of supercritical carbon dioxide (S-CO2) power cycle for recovering waste heat from a gas turbine. An S-CO2 cycle that recovers heat from small industrial and aeroderivative gas turbines can outperform a steam-bottoming cycle despite its simplicity and compactness. In using S-CO2 power cycles for waste heat recovery, a split cycle was studied to maximize the net output power by incorporating the utilization efficiency of the waste heat (lowering the temperature of the exhaust gas through the heater) along with the thermal efficiency of the cycle (minimizing the temperature difference for the heat transfer, exergy loss). The cooling condition of the S-CO2 WHR system has a great impact on the performance and the optimum low pressure of the system. Furthermore, the optimum high pressure of the S-CO2 WHR systems for the maximum power from the given heat sources is dependent on the temperature of the waste heat source.

Keywords: exergy loss, gas turbine, optimization, supercritical CO2 power cycle, split cycle, waste heat recovery

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Authors: Shiuh-Kuang Yang, Sheam-Chyun Lin, Jyin-Wen Cheng, Deng-Guei Hsu

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The torsional mode of guided wave, T(0,1), has been applied to detect characteristics and defects in pipelines, especially in the cases of coated, elevated and buried pipes. The signals of minor corrosions would be covered by the noise, unfortunately, because the coated material and buried medium always induce a strong attenuation of the guided wave. Furthermore, the guided wave would be attenuated more seriously and make the signals hard to be identified when setting the array ring of the transducers on a general corrosion area of the pipe. The objective of this study is then to discuss the effects of the above-mentioned general corrosion on guided wave tests by experiments and signal processing techniques, based on the use of the finite element method, the two-dimensional Fourier transform and the continuous wavelet transform. Results show that the excitation energy would be reduced when the array ring set on the pipe surface having general corrosion. The non-uniformed contact surface also produces the unwanted asymmetric modes of the propagating guided wave. Some of them are even mixing together with T(0,1) mode and increase the difficulty of measurements, especially when a defect or local corrosion merged in the general corrosion area. It is also showed that the guided waves attenuation are increasing with the increasing corrosion depth or the rising inspection frequency. However, the coherent signals caused by the general corrosion would be decayed with increasing frequency. The results obtained from this research should be able to provide detectors to understand the impact when the array ring set on the area of general corrosion and the way to distinguish the localized corrosion which is inside the area of general corrosion.

Keywords: guided wave, finite element method, two-dimensional fourier transform, wavelet transform, general corrosion, localized corrosion

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Authors: Kuen-Ming Shu, Jyun-Wei Chen

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Encapsulated O-rings are specifically designed to address the problem of sealing the most hostile chemicals and extreme temperature applications. Ultrasonic vibration hot embossing and ultrasonic welding techniques provide a fast and reliable method to fabricate encapsulated O-ring. This paper performs the design and analysis method of the acoustic horns with double extrusion to process tube double side flange simultaneously. The paper deals with study through Finite Element Method (FEM) of ultrasonic stepped horn used to process a capsulated O-ring, the theoretical dimensions of horns, and their natural frequencies and amplitudes are obtained through the simulations of COMOSOL software. Furthermore, real horns were fabricated, tested and verified to proof the practical utility of these horns.

Keywords: encapsulated O-rings, ultrasonic vibration hot embossing, flange making, acoustic horn, finite element analysis

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Authors: M. I. Equbal, R. K. Ohdar, B. Singh, P. Talukdar

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Micro-alloyed steel components are used in automotive industry for the necessity to make the manufacturing process cycles shorter when compared to conventional steel by eliminating heat treatment cycles, so an important saving of costs and energy can be reached by reducing the number of operations. Micro-alloying elements like vanadium, niobium or titanium have been added to medium carbon steels to achieve grain refinement with or without precipitation strengthening along with uniform microstructure throughout the matrix. Present study reports the applicability of medium carbon vanadium micro-alloyed steel in hot forging. Forgeability has been determined with respect to different cooling rates, after forging in a hydraulic press at 50% diameter reduction in temperature range of 900-11000C. Final microstructures, hardness, tensile strength, and impact strength have been evaluated. The friction coefficients of different lubricating conditions, viz., graphite in hydraulic oil, graphite in furnace oil, DF 150 (Graphite, Water-Based) die lubricant and dry or without any lubrication were obtained from the ring compression test for the above micro-alloyed steel. Results of ring compression tests indicate that graphite in hydraulic oil lubricant is preferred for free forging and dry lubricant is preferred for die forging operation. Exceptionally good forgeability and high resistance to fracture, especially for faster cooling rate has been observed for fine equiaxed ferrite-pearlite grains, some amount of bainite and fine precipitates of vanadium carbides and carbonitrides. The results indicated that the cooling rate has a remarkable effect on the microstructure and mechanical properties at room temperature.

Keywords: cooling rate, hot forging, micro-alloyed, ring compression

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Authors: Paul Idoko Ukanu, Sunday Abba, Balogun Sadiya

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The study of the finger prints patterns among the Igala ethnic groups was done in order to see their association gender. A cross sectional study was conducted and a total of 602 subjects participated in this study, 322 females and 280 males, which were mainly secondary school students between the age ranges of 13-19 years. The subjects fingerprint pattern was obtained by allowing them place the tip of each finger on the stamp pad, which is then imprinted on the questionnaire, this was done for both the left and right hand. Female had higher arch, whorl and loop finger print pattern in most of the right fingers than the males, the differences were statistically significant for the right index, right ring finger and right little finger, but were statistically insignificant for right thumb and right middle finger as p = 0.207 and 0.726, respectively. The result also revealed that males had higher arch finger print pattern in the right index and right little finger than the females, which was statistically significant (p = 0.001), and also a high whorl finger print pattern than the females in the right middle and ring finger.

Keywords: arch, loop, whorl, fingers

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Authors: Riddhiman Sherlekar, Umang Paladia, Rachit Desai, Yash Patel

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The competitive scenario of the oil and gas market is a challenge for today’s plant designers to achieve designs that meet client expectations with shrinking budgets, safety requirements, and operating flexibility. Natural Gas Liquids have three main industrial uses. They can be used as fuels, or as petrochemical feedstock or as refinery blends that can be further processed and sold as straight run cuts, such as naphtha, kerosene and gas oil. NGL extraction is not a chemical reaction. It involves the separation of heavier hydrocarbons from the main gas stream through pressure as temperature reduction, which depending upon the degree of NGL extraction may involve cryogenic process. Previous technologies i.e. short cycle dry desiccant absorption, Joule-Thompson or Low temperature refrigeration, lean oil absorption have been giving results of only 40 to 45% ethane recoveries, which were unsatisfying depending upon the current scenario of down turn market. Here new technology has been suggested for boosting up the recoveries of ethane+ up to 95% and up to 99% for propane+ components. Cryogenic plants provide reboiling to demethanizers by using part of inlet feed gas, or inlet feed split. If the two stream temperatures are not similar, there is lost work in the mixing operation unless the designer has access to some proprietary design. The concept introduced in this process consists of reboiling the demethanizer with the residue gas, or residue gas split. The innovation of this process is that it does not use the typical inlet gas feed split type of flow arrangement to reboil the demethanizer or deethanizer column, but instead uses an open heat pump scheme to that effect. The residue gas compressor provides the heat pump effect. The heat pump stream is then further cooled and entered in the top section of the column as a cold reflux. Because of the nature of this design, this process offers the opportunity to operate at full ethane rejection or recovery. The scheme is also very adaptable to revamp existing facilities. This advancement can be proven not only in enhancing the results but also provides operational flexibility, optimize heat exchange, introduces equipment cost reduction, opens a future for the innovative designs while keeping execution costs low.

Keywords: deethanizer, demethanizer, residue gas, NGL

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Authors: Sujitra Ruengdechawiwat, Robert Molloy, Jintana Siripitayananon, Runglawan Somsunan, Paul D. Topham, Brian J. Tighe

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The main aim of this research has been to design and synthesize some completely soluble liquid tin(II) alkoxide initiators for use in the ring-opening polymerisation (ROP) of cyclic ester monomers. This is in contrast to conventional tin(II) alkoxides in solid form which tend to be molecular aggregates and difficult to dissolve. The liquid initiators prepared were bis(tin(II) monooctoate) diethylene glycol ([Sn(Oct)]2DEG) and bis(tin(II) monooctoate) ethylene glycol ([Sn(Oct)]2EG). Their efficiencies as initiators in the bulk ROP of ε-caprolactone (CL) at 130oC were studied kinetically by dilatometry. Kinetic data over the 20-70% conversion range was used to construct both first-order and zero-order rate plots. It was found that the rate data fitted more closely to first-order kinetics with respect to the monomer concentration and gave higher first-order rate constants than the corresponding tin(II) octoate/diol initiating systems normally used to generate the tin(II) alkoxide in situ. Since the ultimate objective of this work is to produce copolymers suitable for biomedical use as absorbable monofilament surgical sutures, poly(L-lactide-co-ε-caprolactone) 75:25 mol %, P(LL-co-CL), copolymers were synthesized using both solid and liquid tin(II) alkoxide initiators at 130°C for 48 hrs. The statistical copolymers were obtained in near-quantitative yields with compositions (from 1H-NMR) close to the initial comonomer feed ratios. The monomer sequencing (from 13C-NMR) was partly random and partly blocky (gradient-type) due to the much differing monomer reactivity ratios (rLL >> rCL). From GPC, the copolymers obtained using the soluble liquid tin(II) alkoxides were found to have higher molecular weights (Mn = 40,000-100,000) than those from the only partially soluble solid initiators (Mn = 30,000-52,000).

Keywords: biodegradable polyesters, poly(L-lactide-co-ε-caprolactone), ring-opening polymerisation, tin(II) alkoxide

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Authors: V. Viswanathan, Md. Irshad Ahmad, Prashant K. Singh, Nayeem Ahmad, Pradeep Sharma, Sujata Sharma, Tej P Singh

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Lactoperoxidase (LPO) is a heme containing mammalian enzyme which uses hydrogen peroxide (H2O2) to catalyze the conversion of substrates into oxidized products. LPO is found in body fluids and tissues such as milk, saliva, tears, mucosa and other body secretions. The previous structural studies have shown that LPO converts substrates, thiocyanate (SCN‾) and iodide (I‾) ions into oxidized products, hypothiocyanite (OSCN‾) and hypoiodite (IO‾) ions, respectively. We report here a new structure of the complex of LPO with an oxidized product, nitrite (NO2‾). This product was generated from NO using the two step reaction of LPO by adding hydrogen peroxide (H2O2) in the solution of LPO in 0.1M phosphate buffer at pH 6.8 as the first step. In the second step, NO gas was added to the above mixture. This was crystallized using 20% (w/v) PEG-3350 and 0.2M ammonium iodide at pH 6.8. The structure determination showed the presence of NO2‾ ion in the distal heme cavity of the substrate binding site of LPO. The structure also showed that the propionate group, which is linked to pyrrole ring D of the heme moiety, was disordered. Similarly, the side chain of Asp108, which is covalently linked to heme moiety, was also split into two components. As a result of these changes, the conformation of the side chain of Arg255 was altered, allowing it to form new interactions with the disordered carboxylic group of propionate moiety. These structural changes are indicative of an intermediate state in the catalytic reaction pathway of LPO.

Keywords: lactoperoxidase, structure, nitric oxide, nitrite ion, intermediate, complex

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Authors: Y. Cochet, A. Achim, Tom Flatman, J-C. Domec, J. Ogée, L. Wingate, Ram Oren

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It is accepted that atmospheric CO2 concentration will increase in the future. For the past 30 years, researchers have used FACE (Free-Air Carbon Dioxide Enrichment) facilities to study the development of terrestrial ecosystems under elevated CO2 (eCO2). Forest responses to eCO2 are likely to impact timber industries with potential feedbacks towards the atmosphere. The main objectives of this study were to examine whether eCO2 alone or in combination with N-fertilization alter wood properties and to identify changes in wood anatomy related to water transport. Wood disks were sampled at breast height from mature loblolly pine trees (Pinus taeda L.) harvested at the Duke FACE site (NC, USA). By measuring ring width and intra-ring changes in density (X-ray densitometry) and tracheid size (lumen and cell wall thickness) from pith to bark, the following hypotheses were tested: 1) eCO2 and N-fertilization interact positively to increase significantly above-ground primary productivity; 2) eCO2 and N-fertilization lead to a decrease in density; 3) eCO2 and N-fertilization increase lumen diameter and decrease cell wall thickness, thus affecting water transport capacity. Our results revealed a boost in earlywood tracheid production induced by eCO2 lasting a few years. The following decrease seemed to be buffered by N-fertilization. X-ray profiles did not show a marked decrease in wood density under eCO2 or N-fertilization, although there were changes in cell anatomical properties such as a reduction in cell-wall thickness and an increase in lumen diameter. If such effects of eCO2 are confirmed, forest management strategies for example N-fertilization should be redesigned.

Keywords: wood density, Duke FACE (free-air carbon dioxide enrichment), N fertilization, tree ring

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Authors: Miaomiao Zhang, Sabrina Beckmann, Haluk Ertan, Rocky Chau, Mike Manefield

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Phenazines are a large class of nitrogen-containing aromatic heterocyclic compounds, which are almost exclusively produced by bacteria from diverse genera including Pseudomonas and Streptomyces. Phenazine-1-carboxylic acid (PCA) as one of 'core' phenazines are converted from chorismic acid before modified to other phenazine derivatives in different cells. Phenazines have attracted enormous interests because of their multiple roles on biocontrol, bacterial interaction, biofilm formation and fitness of their producers. However, in spite of ecological importance, degradation as a part of phenazines’ fate only have extremely limited attention now. Here, to isolate PCA-degrading bacteria, 200 mg L-1 PCA was supplied as sole carbon, nitrogen and energy source in minimal mineral medium. Quantitative PCR and Reverse-transcript PCR were employed to study abundance and activity of functional gene MFORT 16269 in PCA degradation, respectively. Intermediates and products of PCA degradation were identified with LC-MS/MS. After enrichment and isolation, a PCA-degrading strain was selected from soil and was designated as Rhodanobacter sp. PCA2 based on full 16S rRNA sequencing. As determined by HPLC, strain PCA2 consumed 200 mg L-1 (836 µM) PCA at a rate of 17.4 µM h-1, accompanying with significant cells yield from 1.92 × 105 to 3.11 × 106 cells per mL. Strain PCA2 was capable of degrading other phenazines as well, including phenazine (4.27 µM h-1), pyocyanin (2.72 µM h-1), neutral red (1.30 µM h-1) and 1-hydroxyphenazine (0.55 µM h-1). Moreover, during the incubation, transcript copies of MFORT 16269 gene increased significantly from 2.13 × 106 to 8.82 × 107 copies mL-1, which was 2.77 times faster than that of the corresponding gene copy number (2.20 × 106 to 3.32 × 107 copies mL-1), indicating that MFORT 16269 gene was activated and played roles on PCA degradation. As analyzed by LC-MS/MS, decarboxylation from the ring structure was determined as the first step of PCA degradation, followed by cleavage of nitrogen-containing ring by dioxygenase which catalyzed phenazine to nitrosobenzene. Subsequently, phenylhydroxylamine was detected after incubation for two days and was then transferred to aniline and catechol. Additionally, genomic and proteomic analyses were also carried out for strain PCA2. Overall, the findings presented here showed that a newly isolated strain Rhodanobacter sp. PCA2 was capable of degrading phenazines through decarboxylation and cleavage of nitrogen-containing ring, during which MFORT 16269 gene was activated and played important roles.

Keywords: decarboxylation, MFORT16269 gene, phenazine-1-carboxylic acid degradation, Rhodanobacter sp. PCA2

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Authors: Ravi J. Shah

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The present study deals with the synthesis of novel spiro[azetidine-2, 3’-indole]-2’, 4(1’H)-dione derivative from the reactions of 3-(phenylimino)-1,3-dihydro-2H-indol-2-one derivatives with chloracetyl chloride in presence of triethyl amine (TEA). All the compounds were characterized using IR, 1H NMR, MS and elemental analysis. They were screened for their antibacterial and antifungal activities. Results revealed that, compounds (7a), (7b), (7c), (7d) and (7e) showed very good activity with MIC value of 6.25-12.5 μg/ml against three evaluated bacterial strains and the remaining compounds showed good to moderate activity comparable to standard drugs as antibacterial agents. Compounds (7c) and (7h) displayed equipotent antifungal activity in comparison to standard drugs. Structure-activity relationship study of the compounds showed that the presence of electron withdrawing group substitution at 5’ and 7’ positions of indoline ring and on ortho or para position of phenyl ring increases both antibacterial and antifungal activity of the compound. Henceforth, our findings will have a good impact on chemists and biochemists for further investigations in search of bromine containing spiro fused antimicrobial agents.

Keywords: antibacterial activity, antifungal activity, 2-Azetidinone, indoline

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Authors: Ivana Čavlina Tomašević, Višnjica Vučetić, Maja Telišman Prtenjak, Barbara Malečić

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The Split wildfire on the mid-Adriatic Coast in July 2017 is one of the most severe wildfires in Croatian history, given the size and unexpected fire behavior, and it is used in this research as a case study to run the Weather Research and Forecasting Spread Fire (WRF SFIRE) model. This coupled fire-atmosphere model was successfully run for the first time ever for one Croatian wildfire case. Verification of coupled simulations was possible by using the detailed reconstruction of the Split wildfire. Specifically, precise information on ignition time and location, together with mapped fire progressions and spotting within the first 30 hours of the wildfire, was used for both – to initialize simulations and to evaluate the model’s ability to simulate fire’s propagation and final fire scar. The preliminary simulations were obtained using high-resolution vegetation and topography data for the fire area, additionally interpolated to fire grid spacing at 33.3 m. The results demonstrated that the WRF SFIRE model has the ability to work with real data from Croatia and produce adequate results for forecasting fire spread. As the model in its setup has the ability to include and exclude the energy fluxes between the fire and the atmosphere, this was used to investigate possible fire-atmosphere interactions during the Split wildfire. Finally, successfully coupled simulations provided the first numerical evidence that a wildfire from the Adriatic coast region can modify the dynamical structure of the surrounding atmosphere, which agrees with observations from fire grounds. This study has demonstrated that the WRF SFIRE model has the potential for operational application in Croatia with more accurate fire predictions in the future, which could be accomplished by inserting the higher-resolution input data into the model without interpolation. Possible uses for fire management in Croatia include prediction of fire spread and intensity that may vary under changing weather conditions, available fuels and topography, planning effective and safe deployment of ground and aerial firefighting forces, preventing wildland-urban interface fires, effective planning of evacuation routes etc. In addition, the WRF SFIRE model results from this research demonstrated that the model is important for fire weather research and education purposes in order to better understand this hazardous phenomenon that occurs in Croatia.

Keywords: meteorology, agrometeorology, fire weather, wildfires, couple fire-atmosphere model

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Authors: Masao Nakagawa, Toshiki Hirogaki, Eiichi Aoyama, Mohamed Ali Ben Abbes

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A planetary gear set is widely used in hybrid vehicles as the power distribution system or in electric vehicles as the high reduction system, but due to its complexity with planet gears, its dynamic characteristic is not fully understood. There are many reports on two-axes driving or displacement of the planet gears under these conditions, but only few reports deal with three-axes driving. A three-axes driving condition is tested using three-axes torque measurement and focuses on the dynamic characteristic around the planet gears in this report. From experimental result, it was confirmed that the transition forces around the planet gears were balanced and the torques were also balanced around the instantaneous rotation center. The meshing frequency under these conditions was revealed to be the harmonics of two meshing frequencies; meshing frequency of the ring gear and that of the planet gears. The input power of the ring gear is distributed to the carrier and the sun gear in the dynamic sequential change of three fixed conditions; planet, star and solar modes.

Keywords: dynamic characteristic, gear, planetary gear set, torque measuring

Procedia PDF Downloads 354

Authors: Majid Vafaeipour, Mohamed El Baghdadi, Florian Verbelen, Peter Sergeant, Joeri Van Mierlo, Kurt Stockman, Omar Hegazy

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The Electrical Variable Transmission (EVT), an electromechanical device, can be considered as an alternative solution to the conventional transmission system utilized in Hybrid Electric Vehicles (HEVs). This study present comparisons in terms of fuel consumption, power split, and state of charge (SoC) of an HEV containing an EVT to a conventional parallel topology and a series topology. To this end, corresponding simulations of these topologies are all performed in presence of control strategies enabling battery charge-sustaining and efficient power split. The power flow through the components of the vehicle are attained, and fuel consumption results of the considered cases are compared. The investigation of the results indicates utilizing EVT can provide significant added values in HEV configurations. The outcome of the current research paves its path for implementation of design optimization approaches on such systems in further research directions.

Keywords: Electrical Variable Transmission (EVT), Hybrid Electric Vehicle (HEV), parallel, series, modeling

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Authors: N. Azadi-Tinat, H. Oraizi

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Design of compact UWB multilayered microstrip filter with E-shape resonator is presented, which provides wide stopband up to 20 GHz and arbitrary impedance matching. The design procedure is developed based on the method of least squares and theory of N-coupled transmission lines. The dimensions of designed filter are about 11 mm × 11 mm and the three E-shape resonators are placed among four dielectric layers. The average insertion loss in the passband is less than 1 dB and in the stopband is about 30 dB up to 20 GHz. Its group delay in the UWB region is about 0.5 ns. The performance of the optimized filter design perfectly agrees with the microwave simulation softwares.

Keywords: method of least square, multilayer microstrip filter, n-coupled transmission lines, ultra-wideband

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Authors: Eusebio Jr. Lina, Ederlina Nocon

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Cyclic codes are a fundamental subclass of linear codes that enjoy a very interesting algebraic structure. The class of skew cyclic codes (or θ-cyclic codes) is a generalization of the notion of cyclic codes. This a very large class of linear codes which can be used to systematically search for codes with good properties. A linear code with complementary dual (LCD code) is a linear code C satisfying C ∩ C^⊥ = {0}. This subclass of linear codes provides an optimum linear coding solution for a two-user binary adder channel and plays an important role in countermeasures to passive and active side-channel analyses on embedded cryptosystems. This paper aims to identify LCD codes from the class of skew cyclic codes. Let F_q be a finite field of order q, and θ be an automorphism of F_q. Some conditions for a skew cyclic code to be LCD were given. To this end, the properties of a noncommutative skew polynomial ring F_q[x, θ] of automorphism type were revisited, and the algebraic structure of skew cyclic code using its skew polynomial representation was examined. Using the result that skew cyclic codes are left ideals of the ring F_q[x, θ]/〈x^n-1〉, a characterization of a skew cyclic LCD code of length n was derived. A necessary condition for a skew cyclic code to be LCD was also given.

Keywords: LCD cyclic codes, skew cyclic LCD codes, skew cyclic complementary dual codes, theta-cyclic codes with complementary duals

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Authors: Nahed O. Bawakid, Walied M. Alarif

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With regard to the uniqueness of the red algae of the genus Laurencia as the source of C₁₅-acetogenins, along with the diversity of biological applications; the acetogenin content of the Red Sea L. obtusa was investigated. Fractionation and purification of the CH₂Cl₂/MeOH extract were done by applying several chromatographic techniques, including column and preparative thin-layer chromatography; followed by a series of ¹H nuclear magnetic resonance measurements to give rise of some interesting notes. A new rare chloroallene-based C₁₅ acetogenin, laurentusenin (1) along with a new furan ring containing C₁₅ acetogenin, laurenfuresenin (2), were isolated from the red alga L. obtusa. Comparing 1D and 2D NMR, MS, UV and IR spectral data for the new isolated compounds with the reported bromoallene containing acetogenins spectral data was played the crucial role for characterization of their hemical structures. The apoptosis induced by these two compounds was demonstrated by DNA fragmentation assay and microscopic observation. These observations suggest that (1) and (2) may be involved in regulation of programmed death in the initiation and propagation of inflammatory responses. The isolated metabolite (1) showed unusual substituted allene side chain, while (2) inserted furan ring as a new acetogenin nucleus.

Keywords: cyclic enyne, anti-inflammatory, fatty acids, marine algae, halogenations

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Authors: Jacob Hatherell, Jason Matthews, Arnaud Marmier

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Anvil Staking is a cold-forming process that is used in the assembly of plain spherical bearings into a rod-end housing. This process ensures that the bearing outer lip conforms to the chamfer in the matching rod end to produce a lightweight mechanical joint with sufficient strength to meet the pushout load requirement of the assembly. Finite Element (FE) analysis is being used extensively to predict the behaviour of metal flow in cold forming processes to support industrial manufacturing and product development. On-going research aims to validate FE models across a wide range of bearing and rod-end geometries by systematically isolating and understanding the uncertainties caused by variations in, material properties, load-dependent friction coefficients and strain rate sensitivity. The improved confidence in these models aims to eliminate the costly and time-consuming process of experimental trials in the introduction of new bearing designs. Previous literature has shown that friction coefficients do not remain constant during cold forming operations, however, the understanding of this phenomenon varies significantly and is rarely implemented in FE models. In this paper, a new approach to evaluate the normal contact pressure versus friction coefficient relationship is outlined using friction calibration charts generated via iterative FE models and ring compression tests. When compared to previous research, this new approach greatly improves the prediction of forming geometry and the forming load during the staking operation. This paper also aims to standardise the FE approach to modelling ring compression test and determining the friction calibration charts.

Keywords: anvil staking, finite element analysis, friction coefficient, spherical plain bearing, ring compression tests

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Authors: Krupali Mukeshkumar, Jinesh Shah

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Background: Bilateral Sagittal Split Osteotomy (BSSO), used for the correction of mandibular deformities, is a common oral and maxillofacial surgical procedure. Inferior alveolar nerve dysfunction is commonly reported post-operatively by patients as paresthesia or anesthesia. The current literature lacks a consensus on the incidence of inferior alveolar nerve dysfunction as patients are not routinely assessed pre and post-operatively with an objective assessment. The range of incidence varies from 9% to 85% of patients, with some authors arguing that 100% of patients experience nerve dysfunction immediately post-surgery. Systematic reviews have shown a difference between incidence rates at different follow-up periods using objective and subjective methods. Aim: To identify the incidence of inferior alveolar nerve dysfunction following BSSO. Gold standard: Nerve dysfunction incidence rates similar or lower than current literature of 83% day one post-operatively and 18.4% at one year follow up. Setting: A retrospective cross-sectional audit of patients treated between 2017-2019 at the Royal Stoke University Hospital, Maxillofacial and Orthodontic departments. Sample: All patients who underwent a BSSO (with or without le fort one osteotomy) between 2017–2019 were identified from the database. Patients with pre-existing neurosensory disturbance, those who had a genioplasty at the same time and those with no follow-up were excluded. The sample consisted of 121 patients, 37 males and 84 females between the ages of 17-50 years at the time of surgery. Methods: Clinical records of 121 cases were reviewed to assess the age, sex, type of mandibular osteotomy, status of the nerve during the surgical procedure, type of bony split and incidence of nerve dysfunction at follow-up appointments. The surgical procedure was carried out by three Maxillo-facial surgeons and follow-up appointments were carried out in the Orthodontic and Oral and Maxillo-facial departments. Results: 120 patients were treated to correct the mandibular facial deformity and 1 patient was treated for sleep apnoea. Seventeen patients had a mandibular setback and 104 patients had mandibular advancement. 68 patients reported inferior alveolar nerve dysfunction at one week following their surgery. Seventy-six patients had temporary paresthesia present between 2 weeks and 12 months post-surgery. 13 patients had persistent nerve dysfunction at 12 months, of which 1 had a bad bony split during the BSSO. The incidence of nerve dysfunction postoperatively was 6.6% after 1 day, 56.1% at 1 week, 62.8% at 2 weeks, 59.5% between 3-6 weeks, 43.0% between 8-16 weeks and 10.7% at 1 year. Conclusions: The results of this audit show a similar incidence rate to the research gold standard at the one-year follow-up. Future Recommendations: No changes to surgical procedure or technique are indicated, but a need for improved documentation and a standardized approach for assessment of post-operative nerve dysfunction would be beneficial.

Keywords: bilateral sagittal split osteotomy, inferior alveolar nerve, mandible, nerve dysfunction

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