Miracle-dz/UniFAR-FTUs huggingface dataset:
LC-MS QUANTIFICATION OF ROSMARINIC ACID AND URSOLIC ACID IN THE OCIMUM SANCTUM LINN. LEAF EXTRACT (HOLY BASIL, TULSI)

A simple, sensitive, and accurate liquid chromatography-mass spectrometry (LC-MS) using an atmospheric pressure chemical ionization (APCI) method for the determination of rosmarinic acid (RA) and ursolic acid (UA) in the leaves of ethanol extract of Ocimum sanctum (EEOS) Linn. (Holy Basil, an Indian traditional herb) has been developed for the first time and validated. The LC separation was carried out on a Phenomenex C18 (150 × 4 mm i.d., 5 µ) with single quadrupole MS analyzer. The mobile phase consisting of 0.5% formic acid–acetonitrile (75:25%) and ammonium acetate–acetonitrile (70:30%) were used for RA and UA, respectively, and delivered at a flow rate of 0.5 mL/min. The column temperature was maintained at 30°C. The assay was shown to be linear over the range of 100–1000 ng/mL (r 2 0.9997 and 0.9999 for RA and UA, respectively). The LOD and LOQ for RA and UA were found to be 1 and 3 ng/mL, and 2 and 6 ng/mL, respectively. The method was shown to be reproducible and reliable with intraday precision below 0.14% and 0.11% and interday precision below 0.71% and 0.46% and mean recovery excess of 94.38% and 92.92% for RA and UA, respectively. Using the optimized conditions, the quantity of RA and UA in EEOS was found to be 0.27 and 0.40% w/w, respectively. The method is simple, sensitive, reproducible, and ideally suited for rapid routine analysis.
Reactions of 2-aminothiphenols with chalcones in an ionic liquid medium: a chemoselective catalyst-free synthesis of 1,5-benzothiazepines

A series of 2,4-disubstituted derivatives of 1,5-benzothiazepines were prepared via a one-pot thia-Michael-cyclization sequence by the reaction of various 2-aminothiophenols with chalcones in ionic liquid media. The choice of the ionic liquid had a significant impact on the process. In the case of 1-octyl-3-methyl imidazolium thiocyanate ([omim]SCN), both steps took place in one pot to give substituted 1,5-benzothiazepines. However, only a simple thia-Michael addition could occur in 1-octyl-3-methyl imidazolium chloride ([omim]Cl) medium. Reactions were catalyst free and could tolerate the presence of different functional groups. The workup procedure was facile and the ionic liquid could be recycled at least seven times in a row. GRAPHICAL ABSTRACT
INNOVATION STRATEGIES AND ORGANIZATIONAL PERFORMANCE OF WATER PACKAGING FIRMS IN LAGOS STATE

This study investigated innovation strategies and organizational performance of water packaging firms in Lagos State, Nigeria due to the seeming dearth of studies on the topic. Cross-sectional research design methodology was used in collecting data from 118 water packaging firms in Lagos State. The hypotheses were analyzed with Kendall’s Tau-b correlation coefficient (denoted τ) by means of Statistical Package for Social Sciences (SPSS) Version 27. Results suggest that higher levels of innovation strategies (aggressiveness-τ = 0.658, p = .003; defensiveness-τ = 0.535, p = .001; futurity-τ = 0.736, p = .003; proactiveness-τ = 0.877, p = .000) amplify organizational performance. The study recommends that management of water packaging firms should ensure innovation strategies supersede profit making and give more attention to potential and prospective customers as they develop the quality and performance of their product.
Mid-term outcomes of arthroscopic osteochondral autograft transplantation for focal chondral defects of the knee

Osteochondral autograft transplantation (OAT) for the management of cartilage defect involves direct transfer of hyaline cartilage to the defect site. The study aims to assess mid-term functional outcomes of arthroscopic treatment of focal chondral defects of the knee using the OAT technique. In this prospective follow-up study, patients who had previously undergone an OAT procedure for chondral defects of the knee at least 2 years prior were included. All the cartilage defects were treated arthroscopically with one or two plugs. Patients were followed up at 2 time points – in June 2016 and June, 2020. The International Knee Documentation Committee (IKDC) score and Tegner activity scale (TAS) were recorded preoperatively and at both follow-ups. There were 20 patients with 21 focal cartilage defects, comprising 14 males and 6 females, with an average age of 30.9 ± 7 years and mean body mass index (BMI) of 27.2 ± 4 kg/m2. The first follow-up was after a mean 42.4 ± 12 months and the second after mean 90.4 ± 11.9 months post-surgery. The IKDC score improved significantly at both follow-ups compared to pre-operative scores (P < 0.001). At the first follow-up, the mean change in IKDC score was 25.3 ± 16.7 with 14 patients (70%) achieving minimal clinically important difference (MCID) but only 5 (25%) achieving substantial clinical benefit (SCB). At the second follow-up, 16 patients (80%) achieved MCID and 8 (40%) achieved SCB in IKDC score, with a mean change of 28.3 ± 12.6. The TAS showed statistically significant improvement at the first follow-up (P = 0.011), but not at the second follow-up (P = 0.052). OAT for focal cartilage defects of the knee is an excellent option as it provides clinically significant and incremental improvement in functional results in the mid-term. The results are not inferior even when a concomitant ligament or meniscus surgery is performed. Higher age or BMI does not have a negative impact on the outcomes.
Hybrid Deep Learning-Based Epidemic Prediction Framework of COVID-19: South Korea Case

The emergence of COVID-19 and the pandemic have changed and devastated every aspect of our lives. Before effective vaccines are widely used, it is important to predict the epidemic patterns of COVID-19. As SARS-CoV-2 is transferred primarily by droplets of infected people, the incorporation of human mobility is crucial in epidemic dynamics models. This study expands the susceptible–exposed–infected–recovered compartment model by considering human mobility among a number of regions. Although the expanded meta-population epidemic model exhibits better performance than general compartment models, it requires a more accurate estimation of the extended modeling parameters. To estimate the parameters of these epidemic models, the meta-population model is incorporated with deep learning models. The combined deep learning model generates more accurate modeling parameters, which are used for epidemic meta-population modeling. In order to demonstrate the effectiveness of the proposed hybrid deep learning framework, COVID-19 data in South Korea were tested, and the forecast of the epidemic patterns was compared with other estimation methods.
Studies on carbon/sulfur cluster anions produced by laser vaporization: Experiment (collision-induced dissociation) and theory (ab initio calculation) I C2Sm- (1 <= m <= 11)

Binary cluster anions composed of carbon and sulfur atoms have been produced from laser vaporization of a sample mixed with sulfur and carbon powders in a 20:1 ratio. They were mass-selected and their molecular formula was determined by collision-induced dissociation. The clusters consist of even carbon atoms only and their number of clustering sulfur atoms equals or exceeds that of carbon atoms. Ab initio calculations at the ROHF/6-31G* level have been performed for the cluster anions containing two carbon atoms, C2Sm− (1⩽m⩽10). Geometries of various isomeric structures of the clusters were optimized and their energies were compared to find the most stable isomers. For the singly charged anions, attachment of an additional electron leads to break their sulfur rings, and the isomers with two dangling sulfur atoms and a closed ring have the lowest energy. According to the experimental and theoretical investigations, the two carbon atoms form the bone of the clusters, and ejection of two sulfur atoms is the.
Association and interrelationship of yield and agronomic characters in coffee (Coffea sp L)

Coffee is an important commodity in the international market. However, little attention is given to it and its breeding research in Nigeria. This has resulted to low production and foreign earning. The information on relationship between yield and yield- related characters is an excellent and significant tool for breeding. The experiment was conducted on Cocoa Research Institute of Nigeria coffee germplasms. The objectives of this study were to determine the genetic relationship and identify traits that have a direct and indirect effect on yield of coffee. A total of 45 coffee genotypes were studied during 2016/2017 cropping season. The data were subjected to correlation coefficients and regression analyses. The result revealed significant (P<0.05) correlation among traits. Weight of seed per tree (actual yield) has strong and positive correlation with trunk height, leaf length, leaf width, stiple arista length, number of flower per axil, number of flower per fascicle, berry width, berry thickness, 100 berry weight, 100 seed weight, and weight of berry per tree. Weight of berry per tree, plant height, number of flower per axil and number of fascicle per node were the predictors and accounted for 94% of the variation observed and therefore be given serious consideration in coffee breeding programmes. Key words: Coffee, germplasm, yield, characters, correlation, stepwise regression.
Bromo-substituted blocked hexamethylene diisocyanate adduct: synthesis, characterization and application toward polyurethane coating

Abstract Hexamethylene diisocyanate (HMDI) reacts with 4-bromo-1H-pyrazole as a blocking agent to form blocked adducts of isocyanates. The adducts were characterized by FTIR, NMR, thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC). In the FTIR spectra, disappearance of a peak at 2250–2270 cm−1 is the indication of blocking of diisocyanate molecule with 4-bromo-1H-pyrazole blocking agent. The DSC thermogram shows that at 185 °C, the blocked adduct de-blocks and HMDI and blocking agent 4-bromo-1H-pyrazole has been regenerated. At 185 °C, regenerated HMDI reacts with polyols of different molecular weights to form polyurethane. The polyurethanes were characterized by FTIR, NMR, DSC, TGA and contact angle measurements. These are useful for hydrophilic coating. Graphical abstract
Power system stability improvement using Battery Energy Storage System (BESS) in isolated grid

Rural areas and islands distant from main power grids mostly rely on diesel fuel for electricity generations, which assembles an isolated network. In eastern Indonesia, these isolated grids began to hybridize with solar photovoltaic (PV) systems to reduce the generation costs. However, the penetration of solar PV systems has risen one crucial problem related to the power system stability due to its output intermittency and variability. The Battery Energy Storage System (BESS) can be utilized as a frequency regulator so that the system stability can be maintained well. Besides, BESS can also function as an energy arbitrage so that the target of generation costs saving can also be achieved. This study analyzes the effectiveness of BESS utilization to reduce the stability issues of an isolated grid consisting of diesel generators and PV systems in eastern Indonesia by using PowerFactory software. The scenario of the daily operating pattern of each component is simulated as well by considering the optimal solar PV system and BESS capacity.
Predicting and Interpreting Students’ Grades in Distance Higher Education through a Semi-Regression Method

Multi-view learning is a machine learning app0roach aiming to exploit the knowledge retrieved from data, represented by multiple feature subsets known as views. Co-training is considered the most representative form of multi-view learning, a very effective semi-supervised classification algorithm for building highly accurate and robust predictive models. Even though it has been implemented in various scientific fields, it has not adequately used in educational data mining and learning analytics, since the hypothesis about the existence of two feature views cannot be easily implemented. Some notable studies have emerged recently dealing with semi-supervised classification tasks, such as student performance or student dropout prediction, while semi-supervised regression is uncharted territory. Therefore, the present study attempts to implement a semi-regression algorithm for predicting the grades of undergraduate students in the final exams of a one-year online course, which exploits three independent and naturally formed feature views, since they are derived from different sources. Moreover, we examine a well-established framework for interpreting the acquired results regarding their contribution to the final outcome per student/instance. To this purpose, a plethora of experiments is conducted based on data offered by the Hellenic Open University and representative machine learning algorithms. The experimental results demonstrate that the early prognosis of students at risk of failure can be accurately achieved compared to supervised models, even for a small amount of initially collected data from the first two semesters. The robustness of the applying semi-supervised regression scheme along with supervised learners and the investigation of features’ reasoning could highly benefit the educational domain.
Threshold voltage in junctionless nanowire transistors

This work presents a physically based analytical model for the threshold voltage in junctionless nanowire transistors (JNTs). The model is based on the solution of the two-dimensional Poisson equation and includes the dependence on JNT width, height and doping concentration. The quantum confinement has also been taken into consideration in the model formulation. The model is validated using experimental results of nMOS and pMOS JNTs, and three-dimensional TCAD simulations where the nanowire width and height, doping concentration, gate oxide thickness and temperature have been varied. The gate oxide capacitance is also addressed aiming to adequately calculate the capacitance in non-planar devices. The temperature influence on the threshold voltage of JNTs is also analyzed. The presented model shows excellent agreement with both experimental and simulated data, adequately describing the JNT threshold voltage.
Role of magnetic resonance spectroscopy in brain space occupying lesions for detection of malignancy and grading of malignant lesions

Background: Magnetic resonance (MR) spectroscopy is a non-invasive technique that enables tissue characterization on a biochemical level using radio frequency signals emitted by the nuclei in the tissue. Primary aim is at determining the utility of MR spectroscopy to differentiate malignant from benign lesions and to assess its role in grading of gliomas as secondary objectives. Methods: MR system with proton spectroscopic capability using standard head coils and quantum gradients used in a sample size of 50 patients with intracranial space occupying lesions in conventional MRI. The diagnostic accuracy of the spectroscopic data based on the Cho/Naa ratios was used to detect the malignant lesions and distinguish them from the benign lesions. Results: The lesion characterization using the MR spectroscopic data in distinguishing malignant lesions from benign was statistically compared with the histopathological data using chi square tests proved to be significant with p value of less than 0.05. Grading of the malignant space occupying lesion with the available spectroscopic data was done with the corresponding histopathology that proved statistically not significant. Conclusions: Statistical data proves utility of MR spectroscopic data in differentiating malignant occupying lesions from benign. Role of spectroscopic data in grading the malignant lesion to differentiate to low and high grade could not be determined statistically which may be attributed to low sample size in the secondary objective.
On the electrostatic potential in crystalline systems where the charge density is expanded in Gaussian functions

Methods for the evaluation of the electrostatic potential in systems which are periodic in three dimensions, where the electronic charge distribution is expanded as a linear combination of Gaussian functions of arbitrary quantum number, are described. An ‘exact’ method based on the Ewald potential function is derived, and an approximate scheme using a distributed point multipole representation of the charge distribution is then presented. Recursion formulae enable Cartesian and thence spherical derivatives (of any order) of the potential to be computed. Related procedures for the evaluation of the Fock matrix elements and the coulombic contribution to the total energy per unit cell are described. Tests of the exact and approximate procedures establish their relative accuracy and cost in the MgO, Si and Si12O24 systems in the rock-salt, diamond and chabazite structures, respectively. Applications include a study of the electric field gradient at the C, N and O sites in urea (crystalline and molecular), and.
PSVII-13 Effect of polyunsaturated fatty acid and methionine supplementation during late gestation on offspring duodenal amino acid and peptides transporters in sheep

The intestine plays a crucial role in nutrient digestion and absorption, and its function is critical for animal growth and health. However, the effect of maternal nutrition on offspring’s intestine is not well documented. The objective of this study was to evaluate the effect of supplementing polyunsaturated fatty acids (PUFA), methionine (M) or both to ewes during late gestation on offspring duodenal amino acid (AA) and peptides transporters. Twenty-four post-weaned lambs (6/treatment) born from ewes supplemented from day 100 (d100) gestation until lambing were used. Dam supplementation was: 1) no PUFA or M supplementation (CONT, NFA-NM); 2) supplementation with PUFA (PUFA-NM, 1 % StrataG113); 3) a source of M (NFA-MET, 0.1 % rumen protected methionine, Smartamine); and 4) PUFA and MET (PUFA-MET). At weaning (60 days of age) lambs were placed in 24 pens and fed a common finishing diet for 56 days. On d56, lambs were harvested and samples of the duodenum were collected to quantified amino acid (AA) and peptides transporters. Protein quantification of amino acid transporters was performed using Simple Western System. Offspring data was analyzed as a 2x2x2 factorial (FA, M, and sex). No triple interaction was found (P > 0.15). Dam supplementation did not affect SLC38A2 and SLC38A10 expression. A trend was observed in MET*Sex interaction (P = 0.1), M-ewes and NM-wethers had a greater SLC6A19 expression compared with NM-ewes and M-wethers. Furthermore, SLC7A5 protein expression tended to decrease (P = 0.1) in M-ewes and NM-wethers when compared with M-wethers. There was an effect of FA supplementation, PUFA born animals had a greater SLC38A1 protein expression when compared to NFA born offspring. Maternal supplementation of M or PUFA led to a modification in the protein expression of duodenal AA transporters, and this modification could be influenced by the sex of the offspring.
Functional upgrading dynamics of latecomer firms in challenging innovation system and global value chain contexts: evidence from cacao-chocolate firms in the Philippines

ABSTRACT Functional upgrading of latecomer firms is most likely to occur when firms build capabilities facilitated by conducive innovation system (IS) or global value chains (GVC) environments. However, many developing countries suffer from simultaneously ineffective IS-GVC learning channels. Based on comparative case research of key cacao-chocolate firms in the Philippines, this study provides evidence that latecomer firms build functional upgrading capabilities directly through global knowledge networks and indirectly through market-based chain buyers in weak IS-GVC contexts. It highlights the role of learning source and sequence in functional upgrading; finding an advantageous order of formal course learning, informal internal experimentations, global knowledge networks engagement, and internal innovation activities by specialized technical teams. The study’s main contribution lies in its empirical exploration of how latecomer firms manage various internal and external learning mechanisms according to the different types of capability needed in the functional upgrading process. Implications on functional upgrading strategies are discussed.
New Applications of Computers in Chemistry

The mathematical model of constitutional chemistry described here is based on a concept of isomerism which has been extended from molecules to ensembles of molecules. A chemical reaction is the conversion of an ensemble of molecules into an isomeric ensemble. An ensemble of molecules is representable by an atomic vector and an associated bond and electron (BE)- matrix, and a reaction by a reaction (R)-matrix. These BE-and R-matrices serve as a basis for computer programs for the deductive solution of chemical problems. We present here algorithms and computer programs based on the theory of BE- and R-matrices. They enable the classification and documentation of structrues, substructures and reactions, the prognosis of reaction products,the design of syntheses, the construction of networks of mechanistic and synthetic pathways and the prediction of chemical reactions.
Association and molecular chain length effects on interfacial behavior

The scope of this work is to analyze the influence of the molecular chain length and association effects on the properties of vapor–liquid interfaces. Calculations are based on the gradient theory applied to the Statistical Associated Fluid Theory (SAFT) equation of state (EOS), yielding thus an approach that predicts both phase equilibrium and interfacial properties. In addition, the theoretical structure of the SAFT-EOS includes the specific effects under consideration. The approach proposed here is coherent with the density functional theory, although it is more direct to apply, and predictions are in good agreement with experimental data. Results show that the interface thickness decreases, while the interfacial tension increases, as the molecular chain length and/or the association degree increases at isothermal conditions. Such a trend may be explained in terms of the distortion of the cohesion energy. Detailed examples are discussed for subcritical binary mixtures and predictions are confronted with experimental data. §Partial results of this paper were presented at the 17th iupac conference on chemical thermodynamics, Rostock, Germany on July 28 – August 2, 2002.
Event-Based Time Distribution Patterns, Return Levels, and Their Trends of Extreme Precipitation across Indus Basin

This study presented the spatio-temporal characteristics of extreme precipitation events in the Northern Highlands of Pakistan (NHPK). Daily precipitation observations of 30 in situ meteorological stations from 1961 to 2014 were used to estimate the 11 extreme precipitation indices. Additionally, trends in time distribution patterns (TDPs) and return periods were also investigated for event based extreme precipitations (EEP). Results found that the precipitation events with an amount of 160–320 mm and with a concentration ratio of 0.8–1.0 and a duration of 4–7 consecutive days were dominant. The frequency of heavy, very heavy and extremely heavy precipitation days decreased, whereas the frequency of wet, very wet and extremely wet days increased. Most of the indices, generally, showed an increasing trend from the northeast to middle parts. The extreme precipitation events of the 20 and 50-year return period were more common in the western and central areas of NHPK. Moreover, the 20 and 50-year return levels depicted higher values (up to 420 mm) for an event duration with all daily precipitation extremes dispersed in the first half (TDP1) in the Chitral, Panjkora and Jhelum Rivers basins, whilst the maximum values (up to 700 mm) for an event duration with all daily precipitation extremes dispersed in the second half (TDP2) were observed in the eastern part of the NHPK for 20-year and eastern and south-west for 50-year, respectively.