Miracle-dz/UniFAR-FTUs huggingface dataset:
Investigation of asphaltene aggregation with synthetic model compounds: an experimental and computational study

Aggregation of asphaltenes has attracted interest due to the impact on the crude-oil industry. Despite extensive studies on the molecular-structure of natural asphaltene, fundamental knowledge of their aggregation is incomplete. It is unclear how the driving forces of association are related to the molecular architecture and the solvent species, which ultimately affect the aggregation mechanism. In this dissertation, dynamic-light-scattering (DLS) experiments and molecular-dynamics (MD) simulations were performed to investigate the relation between asphaltene chemical-structure and solvent species. The model compounds studied isolate the driving forces of aggregation by varying the peripheral chain-length and functional-groups (triphenylene-cored models) in organic solvents. The results isolate the structure-function relationships. Increasing the chain length imposes restriction upon the nanoaggregate formation, while non-centrosymmetric models appear to be more prone to aggregation. Furthermore, polar components in asphaltene molecular-architecture are observed to increase aggregation potential, more than π-stacking. Hexabenzocoronene-cored models exhibit a structurally selective aggregation mechanisms, as the planar molecules are more liable to aggregate and precipitate than the non-planar models due to π-stacking hindrance. The motivation behind the development and testing of model polyaromatic compounds lies in the pursuit of isolating the source structural-dependence of the compounds interactions. This is done by assessing the solute-solute and solute-solvent associations by experimental and computational approaches, to underpin the structure-to-function relation dictated by aromatic and/or polar molecules in aromatic or aliphatic solvents. This dissertation provides insight for the aggregation of model compounds of varying molecular architectures, and sheds light on the intermolecular interactions affected by these variations and the solvent species.
Appendix H

Education  Business Administration, Operations Management, Niagara College  Certified Textron Six Sigma Green Belt Community Service Activities  Sedgwick County Technical Education and Training Authority, Governing Board for WATC, Chair  State Aviation Technical Training Board  Wichita State University School of Business Advisory Council Member  Greater Wichita Economic Development Coalition board of directors  Wichita Chamber Board of Directors
Inter-relation of surface tension and optical turbidity in self-assembled peptide amphiphiles

Self-associating amphiphilic peptides FEFKFEFK (EFK8-I) and FEFRFEFR (EFR8-I) with an alternating pattern of polar and non-polar side chains were studied to investigate the influence of physicochemical factors that govern aggregation pathways. Changes in aggregation mechanism were determined using a combination of turbidimetric-potentiometric titrations and interfacial tension measurements. The key parameters investigated were pH and NaCl concentration. Turbidity results showed that EFK8-I and EFR8-I displayed reversible aggregation pathway as a function of pH and NaCl concentration. The pathway was depend strongly on the pH history of the solution, but was weakly influenced by changes in salt concentration. That is, the effect of changing the peptide protonation state was greater than the effect of changing the screening length by raising the NaCl concentration. The results indicated that the pKas of peptide side groups were shifted during titration where the titratable groups may be over-stabilised by the formation of salt bridges. These observations suggest a plausible aggregation mechanism in terms of monomers, pre-aggregates and aggregates. Formation of larger aggregates (when the solution had high initial pH) was mainly stabilised by hydrophobic interactions between smaller pre-aggregates. Equilibrium surface tension results well correlated with solution turbidities suggest that the surface-active species were pre-aggregates. These pre-aggregates were irreversibly formed, as indicated by the distinct degree of conformation formation that depended on pH history. Larger aggregates may unfold into a large number of smaller pre-aggregates at the air–water interface, leading to lower equilibrium surface tensions. This study ultimately provides a better understanding of controlling aggregation and predicting surface functional modification of self-assembled polypeptides.
Cost Function based Soft Feedback Iterative Channel Estimation in OFDM Underwater Acoustic Communication

Underwater Acoustic (UWA) communication is mainly characterized by bandwidth limited complex UWA channels. Orthogonal Frequency Division Multiplexing (OFDM) solves the bandwidth problem and an efficient channel estimation scheme estimates the channel parameters. Iterative channel estimation refines the channel estimation by reducing the number of pilots and coupling the channel estimator with channel decoder. This paper proposes an iterative receiver for OFDM UWA communication, based on a novel cost function threshold driven soft decision feedback iterative channel technique. The receiver exploits orthogonal matching pursuit (OMP) channel estimation and low density parity check (LDPC) coding techniques after comparing different channel estimation and coding schemes. The performance of the proposed receiver is verified by simulations as well as sea experiments. Furthermore, the proposed iterative receiver is compared with other non-iterative and soft decision feedback iterative receivers.
Oscillatory Burner-Attached Diffusion Flame in a Viscous Vortex

ABSTRACT A method for mathematically solving the oscillatory infinite reaction rate diffusion flame is extended to the case where the oscillating convective coflow is either inside of, or adjacent to, a viscous vortex. The neglect of streamwise diffusion coupled with the restriction to infinite rate chemistry produces a Burke-Schumann boundary layer flame. The mathematical transformation, which does not require a priori restriction to small coflow oscillations, renders the transient oscillatory problem equivalent to a steady-state problem that can be solved mathematically and numerically evaluated to a high degree of accuracy. Flow fluctuations that are large fractions of the initial flow field are described exactly. Features of the flame response are examined without recourse to detailed time-dependent numerical simulations. There is no need to perform any small-perturbation analyses. The method is applied to examine the influences of the bulk inflow speed, the bulk inflow oscillation rate, and the interaction of the inflow and its oscillation rate with the viscous vortex.
Experimental Study on the Radiative Properties of Fly Ash in the Radiant Syngas Cooler of Gasifier

Radiant syngas cooler (RSC) is the key heat recovery equipment in coal gasification system. The syngas from gasifier carries large amount of slags in which the mass fraction of fly ash less than 100 μm is about 20%. Studying the optical properties of fly ash has high significance for the optimization of heat transfer calculation in RSC. A new experimental method was proposed to inversely calculate the radiative parameters of particles—“KBr transmittance-reflectance method”. By measuring the “directional-hemispherical” reflectance and transmittance of fly ash particles by FTIR under the wavelength range of 0.55 - 1.65 μm, using the four-flux model to solve the radiative transfer equation and combing with Mie theory, the absorption and scattering efficiency of 22.7 μm fly ash and optical constant (also known as complex refractive index, m = n + ik) of fly ash were inversely calculated. The results indicated that for fly ash with large size parameter, there was no obvious change of the absorption and scattering efficiency when the mass fraction of Fe2O3 was between 5.65% and 16.53%, which was well explained by Mie theory; The obtained optical constant was close to the results of KBr trans-mittance method.
Effect of microwave freeze-drying on microbial inactivation, antioxidant substance and flavor quality of Ashitaba leaves (Angelica keiskei Koidzumi)

Abstract To decrease microbial quantity and conserve antioxidant substances of Ashitaba leaves, microwave freeze-drying was conducted at 1, 1.5, and 2 W/g in pilot scale. After drying, microbial inactivation and quality parameters of color, chlorophylls, flavonoids, moisture content, and flavor of dried Ashitaba leaves were evaluated. After drying, the highest contents of chlorophylls and flavonoids maintained 14.62 g/kg and 15.75 mg/g, respectively; microbial colonies decreased by about 2-log; various tastes of dried sample were improved. It could be a suitable dehydration in processing of Ashitaba leaves.
Exploiting the Combination of Displacement and Chemical Plating for a Tailored Electroless Deposition of Palladium Films on Copper

Various formulations for electroless deposition, to obtain continuous nanometre-sized and micrometre-sized films of palladium on copper, were compared. We deposited ultrathin films using displacement plating formulations. We obtained continuous films with an equivalent thickness between 6 and 22 nm, measured by exploiting the K-ratio method with SEM-EDS of Pd layers. The Pd films obtained in this step of the work represent a cost-effective catalytic substrate. As a second step, we selected chemical plating as the procedure to obtain palladium films with a thickness in the micrometre range. An ammonia-based Pd chemical plating bath represent one of the most effective chemical plating formulations. To prevent copper substrates from being damaged by ammonia, displacement plating with palladium was also applied as a pre-treatment to make the use of these plating baths a viable way to obtain thicker palladium coatings. Palladium films showing good adherence, compact morphology, and a thickness over 1.5 μm were obtained, proving that the combination of two different electroless techniques was the key to develop a sustainable procedure for micrometre-sized palladium coatings, which could substitute electroplating of Pd in galvanic industry for decorative applications.
Determine the Gamma Radiation Technique to Sterilization of Insects from Risk Factor

The sterile insect technique (SIT) is an environment-friendly blighter management technique with application within the area-wide integrated management of key pests, together with the suppression or elimination of introduced populations and therefore the exclusion of recent introductions. Procreative sterility is often evoked by radiation, a convenient and consistent technique that maintains an inexpensive degree of aggressiveness within the discharged insects. The price and effectiveness of an effective program integration of the SIT rely on the balance between sterility and aggressiveness, but it seems that current operational programs with an associate SIT element aren't achieving an associated, applicable balance. In this paper, we will discuss how to improve the sterilization method as well as a simple model and procedure for determining the optimum dose. The work in the gift was focused on an association analysis of the electromagnetic wave technique for insect sterilization as a risk issue. Discharge of enormous numbers of gamma-radiated male flies over the complete island caused concern regarding sterilization as an attainable technique for the dominant insects' public health. Several studies on the sterilization of varied insect vectors of sickness have been conducted since then. The study's goal was to check if electromagnetic waves were an efficient insect management mechanism. Insect sterilization is commonly used to create safe environments for fruit homes, manage blighters, and avoid livestock health issues. The sterilization insect technique entails mass-rearing of the target species, sterilization of the male, and unharnessing in sufficient numbers to equal wild male flies in the natural environment. It's species-specific, with no results for any of the 'non-target' species.
Relative-Implant Anatomy in Panoramic and CBCT Radiographs: Knowledge and Attitude of Dental Students

Popularity of dental implants in rehabilitation of partial and completely edentulous patients, has increased over the last few years, in concurrence with increased demands of advanced technology and trained dentists. Comprehensive patient care and efficient implant planning relies on the use of appropriate dental radiographs and the capability to interpret radiographic findings. Successful implants placement requires recognition of adjacent structures thus permitting sufficient bone interface between implant fixtures and vital structures [1,2].
“Crawling” on the self-assembly system: A molecular simulation of peptide position adjusting over self-assembly block

By combining non-equilibrium molecular dynamics(NEMD), umbrella sampling, and weighted histogram analysis method(WHAM), we calculated the potential of mean force of histidine peptide moving over a self-assembly structure. The reaction coordinate is along the main chain direction of the histidine peptide in the self-assembly structure. It is found that the energy needed for the histidine peptide with 3 and 5 residues while moving along the reaction coordinate is around -2.2 kCal/mol and -7.4 kCal/mol, respectively. And the histidine peptide crawls along the reaction coordinate, performing a snake-like movement. This result could illustrate how histidine peptide adjusts its position during self-assembly process.
Effects of the Structure of TiO2 Nanotube Arrays on Its Catalytic Activity for Microbial Fuel Cell

To enhance the microbial fuel cell (MFC) for wastewater treatment and chemical oxygen demand degradation, TiO2 nanotubes arrays (TNA) are successfully synthesized on Ti foil substrate by the anodization process in HF and NH4F solution, respectively (hereafter, denoted as TNA‐HF and TNA‐NF). The differences between the two kinds of TNA are revealed based on their morphologies and spectroscopic characterizations. It should be highlighted that 3D TNA‐NF with an appropriate dimension can make a positive contribution to the high photocatalytic activity. In comparison with the TNA‐HF, the 3D TNA‐NF sample exhibits a significant enhancement in current generation as the MFC anode. In particular, the TNA‐NF performs nearly 1.23 times higher than the TNA‐HF, and near twofold higher than the carbon felt. It is found that the two kinds of TiO2‐based anodes have different conductivities and corrosion potentials, which are responsible for the difference in their current generation performances. Based on the experimental results, excellent stability, reliability, and low cost, TNA‐NF can be considered a promising and scalable MFC bioanode material.
Deep Fusion of a Skewed Redundant Magnetic and Inertial Sensor for Heading State Estimation in a Saturated Indoor Environment

Robust attitude and heading estimation in an indoor environment with respect to a known reference are essential components for various robotic applications. Affordable Attitude and Heading Reference Systems (AHRS) are typically using low-cost solid-state MEMS-based sensors. The precision of heading estimation on such a system is typically degraded due to the encountered drift from the gyro measurements and distortions of the Earth’s magnetic field sensing. This paper presents a novel approach for robust indoor heading estimation based on skewed redundant inertial and magnetic sensors. Recurrent Neural Network-based (RNN) fusion is used to perform robust heading estimation with the ability to compensate for the external magnetic field anomalies. We use our previously described correlation-based filter model for preprocessing the data and for empowering perturbation mitigation. Our experimental results show that the proposed scheme is able to successfully mitigate the anomalies in the saturated indoor environment and achieve a Root-Mean-Square Error of less than [Formula: see text] for long-term use.
Search Strategy for Rare Microstructure to Optimize Material Properties of Filled Rubber

A shortcut to understand the microstructure-property relationship is sampling and analysis of microstructures that induce the desired material property. In the case of filled rubber, the simulation of complex filler morphology involves hundreds of filler particles. This requires a large amount of iterative sampling, because the number of parameters is when using coordinates of the n particles as the search objective. Furthermore, the morphology that induces the desired property, e.g. extremely high modulus, only occurs rarely. In this paper, we propose an effective three-step search method for the filler morphology. In the first step, the replica exchange Markov chain Monte Carlo (MCMC) was employed to discretely search among a wide range of morphologies. In this step, we reduced the filler morphology space in sampling by introducing distributed filler candidate points and spin function. In the second step, the gradient descent method was applied to search for the desired morphology locally in the high-dimensional space , starting from the morphologies obtained by the replica exchange MCMC. Lastly, the coarse-grained molecular dynamics (CGMD) simulations were performed to validate the morphologies actually show the desired properties, because the surrogate model of CGMD was employed in the first 2 steps for the efficient search. Using the proposed method, we demonstrate the search for morphologies that induce high elastic modulus.
Probing the Effect of Oil Type and Saturation on Foam Flow in Porous Media: Core-Flooding and Nuclear Magnetic Resonance (NMR) Imaging

The success of foam displacement in porous media largely depends on its stability, which is adversely impacted by the presence of oil. In this study, we present the results of an experimental investigation into the effect of oil type and saturation on foam rheology in Berea sandstone using the nuclear magnetic resonance imaging technique. The results of foam quality scan in the presence of remaining hexadecane was compared with those from the oil-free case. We showed that the calculated apparent viscosity values in the presence of remaining hexadecane were higher than those in the absence of oil except at very high foam qualities. This was attributed to the dominance of relative permeability reduction and generation of oil-in-water emulsions over the foam-weakening effect of oil. A closer analysis of the fluid distribution further allowed us to quantify the relative significance of the identified oil displacement mechanisms, namely, the increased capillary number, and the micellar solubilization. Addition.
Establishing the patterns in anode behavior of copper in phosphoric acid solutions when adding alcohols

We have investigated the anodic polarization dependences of the copper electrode in phosphate-alcoholic solutions. The dependences derived can be divided into regions, each of which corresponds to the course of certain electrochemical reactions within the specified range of potentials. The first region corresponds to the anodic dissolution of copper, the second region ‒ to the formation at the surface of copper of a passivating oxide-salt film and the diffusion regime of metal dissolution. Upon reaching the potential for the decomposition of water, the dissolution of a copper electrode is accompanied by the oxidation of Н 2 О molecules. We have established the relationship between patterns of copper dissolution and polarization dependences of the electrode. Electrochemical etching of copper is matched with the range of electrode potentials of 0‒0.8 V. Formation of an oxide-salt film at potentials of 1‒2 V predetermines the ionization of copper under diffusion mode and leads to the preferential dissolution of metal’s micro-irregularities with the formation of the shiny surface of the electrode. Shifting the anode potential towards magnitudes exceeding 2 V leads to the emergence of point etching at the surface of copper because of a local disruption in the continuity of a passive film. Adding ethanol to the solutions of phosphoric acid reduces current density of the anodic copper dissolution in the stationary area to the values of 0.2‒2 A∙dm –2 . Ethanol helps obtain a shiny surface of copper. At (С 2 Н 5 ОН)>30 %, the polishing effect disappears. Butyl alcohol is an effective inhibitor of copper etching and in its presence j a reduces to 0.1‒1 A∙dm –2 . Adding C 4 H 9 OН predetermines the formation of surface with a strong gloss and the minimum number of etching points. At (с(C 4 H 9 OН)>50 %, copper surface acquires a significant number of etching points. Inhibitory effect of glycerol is close to the action of butanol. The shape of the polarization dependence is predetermined by the C 3 H 8 O 3 content in solution. When increasing с(C 3 H 8 O 3 )>20 %, polishing does not occur and the surface of the electrode has a matte appearance. The data obtained show that the anodic behavior of copper depends on the nature of an additive, which could be used to develop the polishing electrolytes or the dimensional copper treatment.
Great ape communication as contextual social inference: a computational modelling perspective

Human communication has been described as a contextual social inference process. Research into great ape communication has been inspired by this view to look for the evolutionary roots of the social, cognitive and interactional processes involved in human communication. This approach has been highly productive, yet it is partly compromised by the widespread focus on how great apes use and understand individual signals. This paper introduces a computational model that formalizes great ape communication as a multi-faceted social inference process that integrates (a) information contained in the signals that make up an utterance, (b) the relationship between communicative partners and (c) the social context. This model makes accurate qualitative and quantitative predictions about real-world communicative interactions between semi-wild-living chimpanzees. When enriched with a pragmatic reasoning process, the model explains repeatedly reported differences between humans and great apes in the interpretation of ambiguous signals (e.g. pointing or iconic gestures). This approach has direct implications for observational and experimental studies of great ape communication and provides a new tool for theorizing about the evolution of uniquely human communication. This article is part of the theme issue ‘Revisiting the human ‘interaction engine’: comparative approaches to social action coordination’.
Food purchasing, preservation, and eating behavior during COVID-19 pandemic

Due to the highly infectious virus known as COVID-19 impacting the lives of the populace, more than any other event in recent memory, there is a pandemic in the world. In order to determine food purchasing behavior and eating habits, food preservation techniques and source of knowledge about COVID-19, 992 consumers living in İstanbul, the most populous city in Turkey, were surveyed. The questionnaire was disseminated to participants via an online platform. Thirty questions, including the demographics of participants, changes in purchasing behavior, knowledge, and attitudes about food preservation techniques, changes in eating habits, and source of knowledge about COVID-19, were asked. The results of this study surveyed that COVID-19 has changed food purchasing and eating habits of Turkish consumers significantly (p < 0.05). During the survey in late March of 2020 and late December of 2020, about 65% of respondents have tried to consume more food that boost the immune system and 58% of the respondents have been more willing to buy fresh products. Consumers have greatly adopted preserving of food stuffs by freezing during quarantine days. This survey revealed that the effective use of media tools could increase awareness and lead to behavioral changes that can reduce the spread of COVID-19, especially in con-sumers aged over 65 years.