Miracle-dz/UniFAR-FTUs huggingface dataset:
Coherent 2D IR Spectroscopy: Molecular Structure and Dynamics in Solution

Two-dimensional infrared (2D IR) vibrational spectroscopy is an experimental tool for investigating molecular dynamics in solution on a picosecond time scale. We present experimental and theoretical methods for obtaining a 2D IR correlation spectrum and modeling the underlying microscopic information. Fourier transform 2D spectra are obtained from heterodyne-detected third-order nonlinear signals using a sequence of broad bandwidth femtosecond IR pulses. A 2D IR correlation spectrum with absorptive line shapes results from the addition of 2D rephasing and nonrephasing spectra, which sample conjugate frequencies during the initial evolution time period. The 2D IR spectrum contains peaks with different positions, signs, amplitudes, and line shapes characterizing the vibrational eigenstates of the system and their interactions with the surrounding bath. The positions of the peaks map the transition frequencies between the ground, singly, and doubly excited states of the system and thus describe the anharmoni.
On physical adsorption XVII. Experimental verification of the two-dimensional van der Waals equation of state above and below the critical temperature

Adsorption isotherms of carbon tetrachloride, chloroform and fiuorotrichloromethane on a substrate of graphitized carbon are reported at temperatures between 200 and 300 °K. Evidence is presented that at these temperatures the residual heterogeneity of the substrate is not observed: under these conditions the true equation of state of the adsorbed film can be deduced directly from the measured adsorption isotherms. All the data reported are described by the adsorption isotherm equation corresponding to a two-dimensional van der Waals gas; this description continues to apply at temperatures where the isotherms show discontinuities characteristic of first-order phase changes. The two-dimensional critical temperature of each of the adsorbed films is rather less than the value predicted by the two dimensional van der Waals equation; this is taken as evidence for the polarization of the adsorbate molecules by an electric field present at the graphite surface. The results obtained with the isotropic carbon tetrachloride molecule indicate a surface field of 1 x 105 e. s. u. /cm2; we deduce that the anisotropic adsorbates should be oriented at the interface, with the axis of the permanent dipole alined with the surface field.
Photobleaching technique for measuring ultraslow reorientation near and below the glass transition : tetracene in o-terphenyl

A photobleaching technique for measuring probe rotational diffusion in supercooled and glassy materials is presented. Rotational correlation times from 10 -2 to 10 +4.5 s have been obtained for tetracene in o-terphenyl (OTP). Relative to the conventional T g for OTP (-30 o C), this corresponds to a temperature range of T g +15 o C to T g -5 o C. These results, combined with nanosecond measurements of anthracene rotation in OTP, are compared to OTP viscosity data. We find that, in contrast to translational diffusion measurements of probes in OTP, rotational diffusion follows the temperature dependence of η/T over the 14 decades of time and viscosity explored
Comparison of Two Methods for Nitrogen Extraction of Irrigated Spanish Soils and Related Nitrogen Balance Calibrations

Abstract To establish the rate of nitrogen (N) fertilizer to be applied to a soil, the quantity of available N already present should be known, which requires that the mineralizable N content of the soil be determined. This work assesses the mineralizable N content of irrigated Mediterranean soils on the basis of the N extracted by the CaCl2 and electro-ultrafiltration (EUF) methods. Nineteen soils characteristic of central Spain were selected for this study. These mainly limestone soils had been used to cultivate maize using irrigation, and are subject to a Mediterranean-influenced continental climate. The regression equation relating the Norg obtained by the two methods−Norg(EUF I + II) = −0.580 + 0.144 Norg(CaCl2)—allows EUF-Norg to be determined from CaCl2-Norg in other soils of analogous physicochemical and climatological characteristics. To determine the N balance, a field experiment was performed with maize for two years in one of the selected soils. The N balance allows the mineralized N to be determined in the soil (of which it is an intrinsic characteristic) throughout crop growth. From these results, the Norg obtained by the two extraction methods (CaCl2 and EUF) was calibrated, which allowed the available soil N to be determined three months before sowing using the equation
Strain energies in cyclic oxygen On, n = 3-8

We report the results of geometry-optimized ab initio SCF MO calculations of total energies and structures of O n rings, n=2-8, and H 2 O m chains, m=0-5, at RHF and MP2 levels using the 6-31G ** basis set. From the total energies we calculate O n strain energies on the basis of energy changes for several model reactions that convert O n rings into H 2 O m chains. We introduce a generalization of the homodesmotic reaction that we call the s-homodesmotic reaction, O n +nH 2 O s+1 →nH 2 O s+2 , where s=-1 is an isogyric reaction, s=0 is isodesmic, s=1 is homodesmotic, s=2 is hyperhomodesmotic, and so on
DETERMINANTS OF BANKING PROFITABILITY IN THE PHILIPPINES

A stable banking industry is one of the main pillars of our financial security and this can be attributed to their increasing profits. In order to know how banks are effected by certain shocks, this study identified the determinants of banking profitability in the Philippines from 2008 to 2016 and estimated the long-run and short-run relationship of these determinants to banking profitability, by banking group. Autoregressive Distribution Lag (ARDL) and Error Correction Model (ECM) was employed in the analysis. Results showed that among those 5 banking groups, universal bank provided evidence for long run and short run relationships with its determinants. Generally, in the short run, bank efficiency, money supply and government securities have a positive and significant effect to banking profitability.
Go Beyond Plain Fine-Tuning: Improving Pretrained Models for Social Commonsense

Pretrained language models have demonstrated outstanding performance in many NLP tasks recently. However, their social intelligence, which requires commonsense reasoning about the current situation and mental states of others, is still developing. Towards improving language models’ social intelligence, in this study we focus on the Social IQA dataset, a task requiring social and emotional commonsense reasoning. Building on top of the pretrained RoBERTa and GPT2 models, we propose several architecture variations and extensions, as well as leveraging external commonsense corpora, to optimize the model for Social IQA. Our proposed system achieves competitive results as those top-ranking models on the leaderboard. This work demonstrates the strengths of pretrained language models, and provides viable ways to improve their performance for a particular task.
STUDIES ON THE LIFTOFF PROPERTIES OF DIMETHYL ETHER JET DIFFUSION FLAMES

The liftoff properties of the DME jet diffusion flame were investigated experimentally and analytically with Emphasis on the influences of flame stretch and fuel oxygen. The present experiments showed that the DME jet diffusion flame exhibited a distinct liftoff phenomenon that differed from other hydrocarbon fuels. This unique phenomenon was analyzed theoretically by taking into consideration the effects of flame stretch and the fuel oxygen. The results showed that the stretch effect had a significant impact on the critical liftoff Schmidt number and the flame liftoff height. Based on these observations, a new criterion for the lifted flame at the blowout limit was presented. The results also demonstrated that the appearance of fuel oxygen in DME increases the fuel mixture fraction at the stoichiometric condition and changes the flame liftoff phenomenon. The effect of fuel oxygen was further investigated by adding air into propane and n-butane diffusion flames. It was found that with the increase of oxygen addition, both propane and n-butane flames change from the direct liftoff regime to the direct blowout regime. The results well described the unique liftoff phenomenon of DME and also applicable to other oxygenated and air diluted hydrocarbon fuels.
Self‐healing supramolecular elastomers based on the multi‐hydrogen bonding of low‐molecular polydimethylsiloxanes: Synthesis and characterization

Novel self-healing supramolecular elastomers based on polydimethylsiloxanes (SESi) were synthesized from a mixture of polydimethylsiloxanes derivers with single, di-, or tri-carboxylic acid groups (PDMS–COOHx, where x = 1, 2, and 3, respectively), diethylene triamine, and urea with a two-stage procedure. The reactions and the final products were tracked, characterized, and confirmed by Fourier transform infrared spectroscopy, 1H-NMR, differential scanning calorimetry, dynamic mechanical analysis, and gel permeation chromatography. Compared with a supramolecular rubber based on dimer acid (reported previously) with a similar synthesis procedure, the SESi showed a lower glass-transition temperature of about −113°C for the softer chain of polydimethylsiloxane and showed real rubberlike elastic behavior and self-healing properties at room temperature or even lower temperatures. © 2013 Wiley Periodicals, Inc. J. Appl. Polym. Sci., 2013
Potential of selected Portuguese cultivars for the production of high quality monovarietal virgin olive oil

was investigated. MEVOOs produced were characterized by high oleic acid (72–83%), tocopherol (182– 530 mg/kg), and phenolic compounds (326–1110 mg/kg) content and by a similar polyphenolic profile. 1-Penten-3-one was found to be the compound with the highest contribution for the aroma of the four MEVOO, related to bitter, pungent, and leaf attributes. MEVOO from Verdeal cultivar showed the best performance in terms of the composition: the highest yield of oil, the highest content of oleic acid, high tocopherol, polyphenol and sterol content, and the lowest content of linoleic acid. These characteristics give to these MEVOO not only a great oxidative stability but also interesting properties from the health point of view. MEVOO obtained with fruits at the maturity index of around 4 were in general richer in beneficial minor compounds. MEVOO produced were discriminated by variety and ripeness stage, using a stepwise linear discriminant analysis. This discrimination will in the future enable the prevention of adulteration of these monovarietal olive oils with specific nutritional composition with other olive oils. Practical implications: High-quality MEVOOs have recently been introduced in the market, which for growers is a practical way to differentiate and increase the commercial value of extra virgin olive oil. The quantification of major and minor olive oil compounds in monovarietal olive oils represents an objective way of predicting the sensory characteristics, stability, and potential health benefits of the oils, as well as preventing their adulteration with other olive oils. This study will help in the selection of olive varieties during the maintenance or development of new olive orchards and also to select optimum harvest period for these varieties, in order to obtain MEVOOs with the maximum quality and health benefits for consumers.
Grain size distribution of nanocrystalline systems

The diffraction pattern of nanocrystalline Ce0.9Zr0. 1O2 was analyzed by whole powder pattern modeling, a recently proposed method for the study of line broadening. The main result in this typical case of study—the crystalline domain size distribution—matches closely the corresponding information obtained by transmission electron microscopy. Further information on nature and content of lattice defects is also discussed.
Enantioselectivity in Odor Perception: Synthesis and Olfactory Properties of Iso-β-Bisabolol, a New Natural Product

The odorous trace constituent iso-β-bisabolol (4) was isolated from East Indian and Western Australian sandalwood oil and synthesized by using the (E/Z)-triene 12 (iso-γ-bisabolene) as a key intermediate. Only one of four stereoisomeric forms of 4, (6R,7R)-4a, is odor active, having a strong floral, muguet-like, very pleasant scent.
Ordering subjectivity and the absolute/relative distinction1

This paper presents the results of an experimental investigation into faultless disagreement effects with the comparative forms of gradable adjectives. It is shown that subjective judgments regarding orderings are possible with a wide range of adjectival predicates, and furthermore that the presence of such subjectivity correlates with the distinction between absolute and relative gradable adjectives. A theory is developed in which both phenomena derive from the formal properties of adjectival measure functions.
Runway: Adding artiﬁcial intelligence capabilities to design and creative platforms

Considering that the research and development of artiﬁcial intelligence systems will continue to grow over time, the inherent complexity and segmentation of those systems will expand as well. Given this scenario, new ways need to be created to open up its potential to practitioners coming from other disciplines. We present Runway, an interface and framework that orchestrates the training, use and deployment of artiﬁcial intelligence models in design and creative platforms. Runway facilitates human-AI collaboration using a language that is familiar to creators from a broad range of disciplines
Multistage oxygen delignification of high-kappa pine kraft pulp with peroxymonosulfuric acid (Px)

Abstract In the present study the advantages of multistage oxygen delignification was explored in comparison with a single-stage process at the same level of total caustic charge. A pine kraft pulp with kappa number of 65 (Kn65) was bleached with the focus on the effect of NaOH-charge distribution on Kn, pulp yield, and selectivity of oxygen delignification. The effect of initial chelation with ethylenediaminetetraacetic acid (EDTA) and interstage pulp treatment with peroxymonosulfuric acid (Px) were also investigated. It is shown that the chelated pulp with high Kn may be delignified in three stages to Kn15, but at an unacceptable reduction in pulp viscosity and yield. In contrast, interstage treatment of the chelated pulp with Px at a total charge of 2% active oxygen (based on pulp) in combination with three stages of oxygen delignification enables Kn reduction to about 15 at acceptable viscosity and total yield advantage of about 0.5% (based on wood) compared to an oxygen-delignified kraft pulp with Kn24 derived from the same pine wood chips.
An internet-of-things system based on powerline technology for pulse oximetry measurements

Internet-of-things (IoT) systems, covering any type of application, are becoming increasingly important. The most important network infrastructure used for the development of IoT applications is the Wi-Fi network, as it is widespread and provides greater freedom during installation. There are cases where the cost of building the Wi-Fi infrastructure or the specific field of use do not justify the adoption of this network standard. The following study proposes the use of the powerline network as an alternative to Wi-Fi for the realisation of IoT systems. An IoT system for the monitoring of pulse oximeter values in a hospital setting will be described and discussed. The novelty of the proposed system is the adoption of powerline communication for the medical environment
Evaluation of EEG identification potential using statistical approach and convolutional neural networks

Introduction: Electroencephalograms contain information about the individual characteristics of the brain activities and the psychophysiological state of a subject. Purpose: To evaluate the identification potential of EEG, and to develop methods for the identification of users, their psychophysiological states and activities performed on a computer by their EEGs using convolutional neural networks. Results: The information content of EEG rhythms was assessed from the viewpoint of the possibility to identify a person and his/her state. A high accuracy of determining the identity (98.5–99.99% for 10 electrodes, 96.47% for two electrodes Fp1 and Fp2) with a low transit time (2–2.5 s) was achieved. A significant decrease in accuracy was detected if the person was in different psychophysiological states during the training and testing. In earlier studies, this aspect was not given enough attention. A method is proposed for increasing the robustness of personality recognition in altered psychophysiological states. An accuracy of 82–94% was achieved in recognizing states of alcohol intoxication, drowsiness or physical fatigue, and of 77.8–98.72% in recognizing the user's activities (reading, typing or watching video). Practical relevance: The results can be applied in security and remote monitoring applications.
DETERMINANTS OF OBSTETRIC CARE SEEKING BEHAVIOR AND FACILITY DELIVERY AMONG EXPECTANT MOTHERS IN NORTHERN GHANA

Access to obstetric care is key to reducing maternal mortality the world over. This study sought to explore determinants of obstetric care seeking behavior and facility delivery among expectant mothers attending antenatal clinic at the Tamale Teaching Hospital. A systematic random sampling technique was used to select pregnant women for the study. A structured questionnaire was used to assess their socio-demographic characteristics knowledge regarding the risks associated with pregnancy as well as delivery and birth plan arrangements. Data were analyzed with Statistical Package for Social Sciences (SPSS) software version 22. χ 2 test was used to determine associations between respective variables. Variables that displayed significant associations were entered into a multiple logistic regression model to ascertain the strength of association (Odds Ratios) between respective variables. At 95% confidence interval, p-values less than 0.05 were deemed statistically significant. Age (p<0.05), religion (p<0.05), educational status (p<0.001), level of knowledge on obstetric risks (p<0.001), number of ANC visits (p<0.001), marital status (p<0.05), income level of participants (p<0.01) and cost of services (p<0.001) determined birth preparedness and their choice of facility delivery. However, the attitude of health workers (p>0.05) and birthing tradition of the respondents (p>0.05) were not associated with birth preparedness and choice of place of delivery. Strategies to enhance access to obstetric care and facility delivery must focus on the aforementioned determinants.
Algorithms for Intelligent Systems Series

In various types of geo-environmental problems in the fringing area of Chhotanagpur plateau in India, gully erosion is one of the vulnerable issue. In our current research, using Multi-layer perception approach (MLPC) and its ensembles (MLPC-Bagging, MLPC-Dagging and MLPC-Decorate) models, we have identified potentiality zone of gully erosion in Gandheswari watershed. Considering 20 geo-environmental factors, namely; rainfall, slope, slope aspect, elevation, drainage density, Land use and land cover (LULC), Normalized difference vegetation index (NDVI), geology, geomorphology, soil texture, soil moisture, distance from road, distance from river, plan curvature, profile curvature, topographical wetness index, stream power index, terrain ruggedness index, soil erodibility and distance from lineament, the susceptible areas are indentified. The five susceptible zones are identified with the help of the MLPC computational approaches and different ensemble classifier. All the models are predicted of fitted with good manner but the MLPC-Decorate is comparatively better than other models. The Area under curve (AUC) values of Receiver operating characteristic (ROC) curve for the MLPC-Decorate model in the training and validation database are 0.924 and 0.906 respectively. This model can be use in any type of environmental modelling in sub-tropical region. P. Roy · R. Chakrabortty · I. Chowdhuri · S. Malik · B. Das · S. C. Pal (B) Department of Geography, The University of Burdwan, Barddhaman, West Bengal, India e-mail: geo.subodh@gmail.com P. Roy e-mail: paramitaroy95@gmail.com R. Chakrabortty e-mail: rabingeo8@gmail.com I. Chowdhuri e-mail: indrajitchowdhuri@gmail.com S. Malik e-mail: sadhanmalik06@gmail.com B. Das e-mail: biswajitdas1119@gmail.com © Springer Nature Singapore Pte Ltd. 2020 J. K. Rout et al. (eds.), Machine Learning for Intelligent Decision Science, Algorithms for Intelligent Systems, https://doi.org/10.1007/978-981-15-3689-2_1 1
Adipose-derived mesenchymal stem cells inhibit cell proliferation and migration and suppress extracellular matrix synthesis in hypertrophic-scar and keloid fibroblasts

Pathological scars occur during skin wound healing, and the use of adipose-derived stem cells (ADSCs) is one of the various treatments. The present study aimed to investigate the in vitro effects of ADSCs on the biological properties of hypertrophic scar fibroblasts (HSFs) and keloid fibroblasts (KFs), such as proliferation, migration, and the synthesis of extracellular matrix proteins. Transwell chambers were used to establish a co-culture system of ADSCs with normal skin fibroblasts (NFs), HSFs or KFs. The effect of ADSCs on the proliferation of fibroblasts was evaluated by CCK8 measurement, while the migration ability of fibroblasts was assessed using cell scratch assay. The expression of extracellular matrix proteins was measured by immunoblotting. Co-culture of NFs with ADSCs did not affect cell proliferation and migration, nor the expression of extracellular matrix proteins [collagen-I, collagen-III, fibronectin (FN) and α-smooth muscle actin (α-SMA)] in NFs. However, as with the inhibitor SB431542, ADSCs significantly inhibited cell proliferation and migration and the expression of extracellular matrix proteins (collagen-I, collagen-III, FN and α-SMA), but also suppressed the protein expression of transforming growth factor β1 (TGF-β1), phosphorylated (p-) mothers against decapentaplegic homolog (Smad) 2, p-Smad3 and Smad7 in HSFs and KFs. The results show that ADSCs inhibited cell proliferation and migration and the expression of extracellular matrix proteins in HSCs and KFs in vitro, possibly through inhibition of the TGF-β1/Smad pathway.
A Study on Service Quality That Determines Students’ Satisfaction: A Case Study of Liverpool John Moors University

The primary purpose of this research is to determine students’ satisfaction of Liverpool John Moores University (LJMU) based on service quality dimensions. This study also aims to discover relationships among different dimensions of quality service along with how students perceive quality service according to his/her different demographic profiles. This research is completely based on quantitative method (questionnaire survey) to collect data from respondents using core SERVQUAL method. Results chapter manifest required statistical testing such as, frequency, means, hypothesis testing (T-Test, ANOVA), regression, and factor analysis to critically examine and discuss the situation. This study also discuss how cultural, social, and geographic factors having influence over the satisfaction level and perception of quality in education. Finally, a model has been developed in relation to the findings that can be applied to the studied institution as well as other academic institutions.