Miracle-dz/UniFAR-FTUs huggingface dataset:
Infrared Laser Spectroscopy of Salt-Solvent Complexes using Helium Nanodroplets

Infrared (IR) spectra of complexes consisting of an alkali halide salt (MX) molecule and one or more protic solvent molecules have been recorded for the first time in this thesis. NaCl and LiI are the principal salts investigated and have been combined with the solvents water and methanol to form complexes of type MX(solvent)n (n = 1-7) in liquid helium nanodroplets. IR spectra were recorded using a depletion technique. For small complexes (n = 1 – 3) the spectra are consistent with formation of contact ion-pair structures in which each solvent molecule forms a single ionic hydrogen bond (IHB) to an intact MX ion-pair. For n ≥ 4, the IR spectra suggest that multiple isomers of MX(solvent)n are present in helium nanodroplets. Ab initio calculations were used to support the results by predicting possible structures and their corresponding IR spectra. A mass spectrometric study of a variety of alkali halide salts with a variety of protic and aprotic solvents in helium nanodroplets was also performed. The aim here was to survey the mass spectrometric behaviour of species within the helium nanodroplets in preparation for future IR spectroscopic studies. The salts chosen for this study were NaCl, NaBr, NaF, NaI, LiI, LiCl, CsI and KF, while the solvents chosen were water, methanol, acetone and acetonitrile, i.e. two protic and two aprotic solvents. The ions observed in the mass spectra have been described and assigned to be derived from the neutral species in helium nanodroplets environment.
Dye degradation studies of Mo‐doped TiO2 thin films developed by reactive sputtering

TiO2 thin films with various Mo concentrations have been deposited on glass and n‐type silicon (100) substrates by this radio‐frequency (RF) reactive magnetron sputtering at 400°C substrate temperature. The crystal structure, surface morphology, composition, and elemental oxidation states of the films have been analyzed by using X‐ray diffraction, field emission scanning electron microscopy, atomic force microscopy, and X‐ray photoelectron spectroscopy, respectively. Ultraviolet‐visible spectroscopy has been used to investigate the degradation, transmittance, and absorption properties of doped and undoped TiO2 films. The photocatalytic degradation activity of the films was evaluated by using methylene blue under a light intensity of 100 mW cm−2. The X‐ray diffraction patterns show the presence of anatase phase of TiO2 in the developed films. X‐ray photoelectron spectroscopy studies have confirmed that Mo is present only as Mo6+ ions in all films. The Mo/TiO2 band gap decreases from ~3.3 to 3.1 eV with increasing Mo dopant concentrations. Dye degradation of ~60% is observed in Mo/TiO2 samples, which is much higher than that of pure TiO2.
Chloroplast genome and historical biogeography of the three Magnolias

Magnolia officinalis, M. officinalis subsp.biloba and M. hypoleuca are all typical medicinal plants, belonging to genus Magnolia and Family Magnoliaceae. Their molecular information, particularly genetic difference, were known less. In this study, the platform Illumina HiSeq was used to sequence and assemble a novel cp (chloroplast) genome of M. hypoleuca followed by cp purification. Combined with two published cp rawdata, gene cycles and function annotations were comparably performed for the three plant species. The results indicated that 19 791 019 clean reads was assembled for M. hypoleuca cp, Q30 being 91.33%, and genome 160 051 bp. Its GC content is 39.2%, including 37 tRNAs and 8 rRNAs. The M. hypoleuca had smaller chloroplast genome and more introns (or exons) than M. officinalis and M. officinalis subsp.biloba. And there were respectively 11 and 8 more functional genes in M. hypoleuca cp than that in the other two. Based on cp complete genomes sequences, we constructed the phylogenetic relationship and estimated the divergence time of the three species by ML (Maximum likelihood) method, with other 10 published Magnoliaceae species. The results showed that M. officinalis subsp.biloba and M. officinalis might diverge from M. hypoleuca around 18.98 Ma, then they diverged from each other around 15.00 Ma. Additionally, the middle Miocene warming period might play an important role in the demographic and evolutionary histories of the three Magnolias, which provided a novel insight of the origin and dispersal routes of M. hypoleuca.
What do the experiences of team coaches tell us about the essential elements of team coaching

There has been a surge of interest in team coaching in recent years, however understanding of the process, based on the first-person perspective of team coaches, is lacking. This qualitative study was conducted using heuristic inquiry methodology, enhanced by the inclusion of focus groups. This process enabled shared learning, expanded thinking and knowledge development amongst the co-researchers over an eleven-month period. The study sheds light on the emergent practice of team coaching from the team coach’s perspective. The findings challenge concepts in the existing literature, add to existing knowledge as well as opening up new areas for debate. The findings have considerable potential to inform practice, and the coaching profession, by providing insight and a practical resource in the form of the PiE Team Coaching Model and accompanying framework. These resources detail universal elements, as well as typical variations, for team coaches to consider in their practice.
Impact of Leaders Despotism on Subordinates Outcomes with Mediation of Psychological Contract Breach

The current study adds on to the existing literature by investing the outcomes of despotic leadership. Specifically, we investigate counterproductive work behavior could be a response to despotic supervision by employees’ working under them. Moreover, we investigate whether the proactive personalities are better at coping with despotic supervision at workplace. We measured the constructs under investigation from the nurses working in the public hospitals of Pakistan with a total sample of 386 nurses. Quantitative research was conducted by adopting quota sampling (provinces) and convenient sampling respectively. The results support the mediating effect between psychological breach of contract between despotic leadership and counterproductive work behavior. The moderating effect of proactive personality was however found to be insignificant. For individuals, proactive personality traits serve as an improvement of individual personalities to cope with despotic leaders at the job place; for organizations, our study results provide managers with specific despotic traits that may provoke breach of psychological contract and result into counterproductive work behavior. The current study adds on to the literature of despotic leadership specially in relation to workplace outcomes like counterproductive work behavior and psychological breach of contract. Further, the role of proactive personalities is enhanced and elaborated in coping with despotic leaders adding.
Blind Federated Learning at the Wireless Edge With Low-Resolution ADC and DAC

We study collaborative machine learning systems where a massive dataset is distributed across independent workers which compute their local gradient estimates based on their own datasets. Workers send their estimates through a multipath fading multiple access channel with orthogonal frequency division multiplexing to mitigate the frequency selectivity of the channel. We assume that there is no channel state information (CSI) at the workers, and the parameter server (PS) employs multiple antennas to align the received signals. To reduce the power consumption and the hardware costs, we employ complex-valued low-resolution digital-to-analog converters (DACs) and analog-to-digital converters (ADCs), at the transmitter and the receiver sides, respectively, and study the effects of practical low-cost DACs and ADCs on the learning performance. Our theoretical analysis shows that the impairments caused by low-resolution DACs and ADCs, including those of one-bit DACs and ADCs, do not prevent the convergence of the federated learning algorithms, and the multipath channel effects vanish when a sufficient number of antennas are used at the PS. We also validate our theoretical results via simulations, and demonstrate that using low-resolution, even one-bit, DACs and ADCs causes only a slight decrease in the learning accuracy.
Characterization of isotherms and thin-layer drying of red kidney beans, Part II: Three-dimensional finite element models to estimate transient mass and heat transfer coefficients and water diffusivity

ABSTRACT Three-dimensional finite element models with consideration of shrinkage and irregular shape were developed to estimate the relationships among the transient heat and mass transfer coefficients, the transient water diffusivity, and the temperature and moisture content of the red kidney beans being dried under different drying conditions. An equation was developed to calculate the transient mass transfer coefficient using the measured time–moisture content data. This calculated transient mass transfer coefficient was further used to calculate the transient heat transfer coefficient. To verify the predicted temperature on the surface of the red kidney beans, surface temperature was measured using a handhold infrared thermometer. These measured temperature and time–moisture content data were used to determine the transient water diffusivity using the least square method when the red kidney bean kernel experienced a shrinkage during drying. Strong relationship among the transient heat and mass transfer coefficients, the water diffusivity, and the ratio of the transient heat and mass transfer coefficients was revealed. This relationship could be used to predict temperature and moisture content of the red kidney beans during the entire drying period. The Lewis number = 27, and the ratio of the transient heat over mass transfer coefficients was 10765 J m−3 k−1 at 30 and 40°C, and 10729 J m−3 k−1 at 50°C. Shrinkage did not significantly influence the value of the estimated transient water diffusivity.
Valorization of keratin biofibers for removing heavy metals from aqueous solutions

Four common waste keratin biofibers (human hair, dog hair, chicken feathers, and degreased wool) have been used as biosorbents for the removal of heavy metal ions from aqueous solutions. Different parameters of the biosorption processes were optimized in batch systems. For multiple-metal systems, consisting of a mixture of eight metal ions [Cr(III), Mn(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II), and Pb(II)], the total metal biosorption increased in the order: degreased wool > chicken feathers > human hair > dog hair. From the kinetic models tested, the pseudo-second-order model provided better results. Furthermore, biosorption isotherms of Pb(II) with the different keratin biofibers fitted the Langmuir model. Surface morphology of the biosorbents were analyzed before and after the sorption using Fourier transform infrared spectroscopy and scanning electron microscopy. The keratin biofibers tested are potentially good sorbents of metal ions, with degreased wool and chicken feathers being the more efficient ones.
Continuous 5-Hydroxymethylfurfural Production from Monosaccharides in a Microreactor

5-Hydroxymethylfurfural (HMF) was effectively produced from monosaccharides in a microreactor. A biphasic reaction system was employed to achieve the immediate extraction of produced HMF and suppress the overreaction. A microreactor was utilized to ensure that the reaction occurred under segmented flow to enhance the extraction efficiency. Through many attempts using phosphate buffer saline (PBS) as the reaction phase and 2-sec-butyl phenol (2BP) as the extraction phase, the favorable conditions were determined. By using PBS with pH of 2.0 and 2BP at a volume ratio of 3 to PBS, 80.9 mol % of fructose and 75.7 mol % of glucose were converted into HMF, respectively, at 180 °C. By comparing the results obtained through monophasic reactions, it was confirmed that the biphasic system successfully suppressed both the overreaction and the byproducts. The system employed only a simple experimental apparatus and the acid solution and organic solvent reagents without any complex expensive catalyst.
Needs Analysis on the Importance of English Communication Skills for Government Officials in Myanmar

Abstratct Government officials in Myanmar are the official gatekeepers in the country. This study was carried out to examine the communication needs of government officials so as to address this gap. A quantitative methodology was adopted to gauge the language skills needed at the workplace. 99 government officials from the Ministry of Investment and Foreign Economic participated in this study. The results signaled that the government officials had a high level of needs in learning English language with the mean value of 4.41 (SD= .535). The result also indicated a dire need of mastery in the English language (M= 4.48, SD= .522). The higher ranked government officials shared that they needed English language skills to communicate effectively with the mean value of 4.37, (SD= .679) while the lower ranked officials (M= 4.33, SD= .655) to enable government officials to understand and communicate with foreign investors. In conclusion, the results anchored that English language is essential for government officials to execute their duties and responsibilities regardless of their ranks. Recommendations for ESP course-design are further discussed.
A simple screening procedure could identify Indian patients with early cognitive impairment and its implications for the management of geriatric hip fracture

Background: Dementia is one of the most common and cognitive impairments growing over the globe. It encompasses a wide range of other neurodegenerative disorders with the symptoms such as loss of memory, inability in carrying out everyday activities, a decline in the brain function activities, and perplexity. However, it has been identified that there is an absolute lack of treatment modalities for dementia, but the early diagnosis plays an important role in identifying the cognitive impairment in the asymptomatic phase itself. It helps in preventing the disease from reaching a further complicated stage. Aim: To assess the impact of cognitive impairment screening on the management of geriatric hip fractures. Methods: It was an observational study carried out at the Shree Krishna Hospital, Karamsad for a period of June, 2018 to May, 2020. Two hundred sixty patients were included in the study. The patients were divided into three groups, namely hemiarthroplasty (HA), Total Hip Arthroplasty (THA), hemiarthroplasty in patients with known dementia (HAd). Result: The study showed male preponderance in the study, and the majority of the patients were above 80 years of age. There was a significant difference in the patients who can perform their grocery or medication independently and not independently with respect to MMSE. However, there was no statistically significant difference in Hip Harris Score. There was a statistically significant difference among the three groups regarding the intraoperative blood, operation duration, hospital stay, ICU postoperative, in-hospital details. Conclusion: In light of the above literature, it was found that hip fractures and cognitive impairment were closely related. There are many risk factors of hip fracture, which are aggravated due to the late diagnosis of cognitive impairment. The incidence of hip fracture among patients suffering from dementia was much higher as compared to normal patients.
The Kinetic Resolution of Racemic Amines Using a Whole-Cell Biocatalyst Co-Expressing Amine Dehydrogenase and NADH Oxidase

Amine dehydrogenase (AmDH) possesses tremendous potential for the synthesis of chiral amines because AmDH catalyzes the asymmetric reductive amination of ketone with high enatioselectivity. Although a reductive application of AmDH is favored in practice, the oxidative route is interesting as well for the preparation of chiral amines. Here, the kinetic resolution of racemic amines using AmDH was first extensively studied, and the AmDH reaction was combined with an NADH oxidase (Nox) to regenerate NAD+ and to drive the reaction forward. When the kinetic resolution was carried out with 10 mM rac-2-aminoheptane and 5 mM rac-α-methylbenzylamine (α-MBA) using purified enzymes, the enantiomeric excess (ee) values were less than 26% due to the product inhibition of AmDH by ketone and the inhibition of Nox by the substrate amine. The use of a whole-cell biocatalyst co-expressing AmDH and Nox apparently reduces the substrate and product inhibition, and/or it increases the stability of the enzymes. Fifty millimoles (50 mM) rac-2-aminoheptane and 20 mM rac-α-MBA were successfully resolved into the (S)-form with >99% ee using whole cells. The present study demonstrates the potential of a whole-cell biocatalyst co-expressing AmDH and Nox for the kinetic resolution of racemic amines.
College Acceleration for All? Mapping Racial/Ethnic Gaps in Advanced Placement and Dual Enrollment Participation

This paper estimates the patterns and sources of White-Black and White-Hispanic enrollment gaps in Advancement Placement (AP) and dual enrollment (DE) programs across several thousand school districts and metropolitan areas in the U.S. By merging several data sources, we show that both AP and DE enrollment gaps vary substantially across districts. We find that the vast majority of districts have racial/ethnic gaps in AP and DE participation, and about a quarter of districts have racial/ethnic gaps equal to or larger than 10 and 7 percentage points for AP and DE, respectively. Available districtlevel characteristics and state-level policies explain much more of the geographic variation in AP enrollment gaps as compared to DE enrollment gaps, and local factors (either district-level or metro-level characteristics) dominate state-level factors in shaping these racial/ethnic participation gaps. Among all the available district-level characteristics, racial/ethnic composition and racial/ethnic income disparity are the strongest correlates of participation gaps, where districts with larger proportions of Black and Hispanic students and greater racial/ethnic income disparity are associated with larger racial/ethnic gaps in both AP and DE enrollment.
Transfer Pricing and Location of Intangibles - Spillover and Tax Avoidance through Profit Shifting

This study examines how spillovers affect a multinational company's choice of an intangible's location and the corresponding transfer price for using this intangible. Our model uses a company with a domestic division in a high-tax country and a foreign division in a low-tax country, where each division's activities generate spillovers on the other division's income. In contrast to previous studies, our analysis incorporates an intangible's optimal location when the company trades off tax minimization and efficient activities. By locating the intangible abroad, the company reduces its tax liability, whereas locating the intangible domestically yields more efficient domestic division activities. For a high spillover of the domestic division, the company locates the intangible domestically. Our model supports empirical evidence regarding intangibles' location that is interpreted as "home bias". Additionally, we show how variations in regulatory parameters-arm's length range and tax rate differential-affect the divisions' activities and the intangible's location.
Unequal trade, unequal gains: the heterogeneous impact of MERCOSUR

ABSTRACT We estimate the impact of MERCOSUR on trade flows and on gains from trade for its member countries using a standard modern general equilibrium quantitative structural gravity model. We find a highly heterogeneous impact on bilateral trade flows and gains from trade. We estimate that gains from trade attributable to MERCOSUR are equivalent to a 4.0% increase in per-capita consumption for Argentina. For the other countries, gains from trade are smaller: 0.8% for Uruguay, 0.5% for Paraguay, and 0.3% for Brazil. We study whether Brazil would benefit from withdrawing from MERCOSUR and signing a trade agreement with a different trade bloc but conclude that net gains from such a switch would be small, if any.
Communicative Intent of Spoken Discourse by Using Social Stories among Children with Autism Spectrum Disorder

It is prevailing that ASD children often seem to have difficulty with social, cognitive and language processes. In this study, the communicative intent of the spoken discourse is examined by using social stories through the identification of the elements of discourse in utterances among ASD children. The current study uses qualitative data to provide details to the research objective, and a case study method design is utilised for the collection and analysis of the data. There are 13 ASD children selected as the sample for the study with four female and nine male children. As for the instruments, the study utilises social stories and semi-structured interview questions. There are three different social stories (Visiting atuk and nenek in Kampung, Being Kind to Animals and Helping My Family) narrated to the respondents. Nevertheless, to explain more about this phenomenon, the current research employs a theory; Discourse Analysis Theory (Normaliza Abd Rahim, 2019). The findings of the study reveal that the 13 respondents display seven communicative intent signals and their spoken utterances subscribe to the three elements (content, context and assumption) mentioned in the discourse theory. The aspects, in theory, have helped the ASD respondents to be able to understand the content and context of the social stories. There is no magic formula for teaching special educational needs students, especially autism.
Evolution under dark conditions of particles from old and modern diesel vehicles, in a new environmental chamber characterized with fresh exhaust emissions

Abstract. Atmospheric particles have several impacts on health and environment, especially in urban areas. Part of those particles is not fresh, and has undergone atmospheric chemical and physical processes. Due to not representative experimental conditions, and experimental artifacts such as particle wall losses in chambers, there are uncertainties on the effects of physical processes (condensation, nucleation and coagulation) and how they act on particles from modern vehicles. This study develops a new method to correct wall losses, accounting for size dependence and experiment-to-experiment variations, and applies it to the evolution of fresh diesel exhaust particles to characterize the physical processes acting on them. The correction method is based on the black carbon decay and a size-dependent coefficient to correct particle distributions. Exhaust from 6 diesel passenger cars, Euro 3 to Euro 6, driven on a chassis dynamometer with Artemis Urban cold start and Artemis Motorway cycles, was injected in an 8 m3 chamber with Teflon walls. The physical evolution of particles was characterized during 6 to 10 hours. Condensation occurs even without photochemical reactions, due to the presence of intermediate volatility organic compounds and semi-volatile organic compounds which were quantified at emission, and induces a particle mass increase up to 17 %. h−1, mainly for the older vehicles (Euro 3 and Euro 4). Condensation is 4 times faster when the available particle surface if multiplied by 3. If initial particle number concentration is below [8–9] × 104 #. cm−3, it can increase up to 25 %. h−1 due to nucleation or condensation on particles below 14 nm. Above this threshold, particle number concentration decreases due to coagulation, up to −27 %. h−1.