Miracle-dz/UniFAR-FTUs huggingface dataset:
Lignans of Guaiacum officinale L.: Photo-sensitized Aerial Oxidation of 2,5-Diaryl-3,4-dimethylfurans and a Novel Method of Sequential Introduction of Alkoxy Functions in Their 3- and 4-Methyl Groups.

From the polar extractives of'lignum vitae', the heartwood of Guaiacum o.lficinale, were isolated two new lignans, designated furoguaiacidin and furoguaiaoxidin, as their respective diethyl ether derivatives Ia and 2a. The structures of these lignans were established as 2,5bis(4' -hydroxy-J'-methoxy)-3-methoxymethyl-4-methylfu ran (I b) and 1,4-bis(4' -hydroxy-l' -methoxy)-2,3-dimethyl-cis-2-ene-1,4-dione (2b) respectively, from detailed spectral and chemical evidence including partial synthesis of their respective diethyl ether derivatives Ia and 2a from diethylfuroguaiacin (I c) 12,5-bis(4'-ethoxy-3' -methoxy)-3,4-dimethylfuran], the diethyl ether of the congener lignan, furoguaiacin (ld). Prolonged hydrogenolysis of Ia over 10% Pd/C gave lc, while hydrogenation of 2a over 10% Pd/C afforded, a mixture of lc: and its tetrahydro derivative I e. The cis-configuration of2a was established by its thermal conversion to the trans-isomer 3, reconvertible to 2a on irradiation with uv light, and also by the conversion of2a to Jon heating with methanolic NaOH. Unlike J, 2a underwent facite reducti-ve cyclization to lc with NaBH4 and Na1S10 3 or Na1S03 in acidic medium. Both 2a and J were smoothly reduced by zinc and HOAc to give predominantly lc and their 2,3-dihydro derivative 9a as the minor product. Oxidation of Ic: with singlet oxygen, produced in situ by bubbling air through an ethanolic solution of lc: containing the photosensitizer eosin and exposed to ordinary light, gave 2a in almost quantitative yield. This conversion has also been achieved with m-chloroperbenzoic acid in fairly good yield. When heated with methanolic n1so4, 2a afforded Ia which was converted to 3,4-bis(methoxymethyl) analog If of lc by bubbling air through an ethanolic solution of Ia in presence of eosin followed by treatment of the product with methanolic 111804• In an analogous manner, 3-ethoxymethyl and 3,4-bis(ethoxymethyl) analogs lg and I h of lc were prepared from 2a in about 90% yield. This has provided a novel method of sequential introduction of alkoxy functions in the 3and 4-methyl groups of2,5-diaryl-3,4-dimethylfurans. Plausible mechanisms of the reactions stated above are discussed.
XRD and EXAFS studies of azomethynic copper metallochelates as models of blue copper proteins

The structure of two biomimetic copper complexes bis[4-benzylaldimino-3-methyl-1-phenyl-5-thio (seleno)pyrazolato]copper(II)—36 32N6X2Cu (where X=S, Se) have been studied and X-ray patterns of these compounds have been prepared using the Rietveld refinement technique. Both complexes crystallized in a monoclinic lattice, space group-C2/c(15). The unit-cell parameters are a=28.917(3) Å; b=7.000(2) Å; c=17.550(4) Å; β=106.869(1) (1) for C36H32CuN6S2 and a=29.126(6) Å; b=7.042(4) Å; c=17.228(2) Å; β=105.587(2) for C36H32CuN6Se2. Analysis of the copper and selenium K-edge X-ray absorption spectra (EXAFS) of these complexes show that a copper atom is in pseudo-tetrahedric ligand environment N2X2 with typical Cu–N bonds (R=2.00–2.01 Å) and significantly different Cu–S and Cu–Se bonds (R=2.27 Å and R=2.41 Å, respectively) because of different sulfur and selenium ion radii. © 2004 International Centre for Diffraction Data.
EFFECT OF FLUIDIZING PARTICLE ON DRYING CHARACTERISTICS OF POROUS MATERIAL IN FLUIDIZED BED

The drying characteristics of porous material in fluidized bed were examined theoretically and experimentally. The brick ball was used as the sample and immersed in the fluidized bed. The glass beads were used as the fluidizing particles and the particle diameters were changed. When the pore diameter of sample was relatively large, the fluidizing particles were adhered on the sample surface. In the theoretical analysis, the heat and mass transfers in adhered particle layer were considered. The fluidizing particles were adhered on the sample surface during the earlier period of drying. The sample temperature largely decreased when the mass of adhered particle decreased. The calculated results are in good agreement with experimental data. The diameter of fluidizing particle had a small effect on the drying time. The excess increments in drying gas temperature hardly contributed to shortening the drying time.
Effect of Structure Modification on Rheological Properties of Biodegradable Poly(ester-urethane)

Biodegradable lactic acid based poly(ester-urethanes) (PEU) were polymerized and their structure and rheological properties were characterized. The polymerization process comprised two steps: lactic acid monomer was oligomerized to low molecular weight prepolymer, and this was then linked to high molecular weight PEU with chain extender, 1,6-hexamethylene diisocyanate. The properties of PEU were modified by varying the amount of chain extender from 1.05:1 to 1.35:1 (NCO/OH ratio). The modification was mostly seen in the molecular weight distribution of the polymers, which was broadened from 2.2 to 3.5 as the amount of chain extender was increased. The telechelicity of the prepolymer was found to play an essential role in successful linking of the prepolymer units. In addition, the rheological properties of poly(ester-urethane) were determined with capillary and dynamic rheometers. All PEU samples were pseudoplastic and broadening of their molecular weight distribution was accompanied by increased viscosity and complex viscosity at low shear rates and increased shear thinning. The temperature dependency of the measurement was pronounced. Rheological measurements also showed that PEU starts to degrade at 100°C and further rise in temperature increases the rate of degradation significantly.
Development of biofluid biomarkers for Huntington’s disease

Though no treatments can currently prevent onset or slow progression of Huntington’s disease (HD), many huntingtin-lowering drug candidates targeting the root cause of HD are in the development pipeline. This brings much hope that disease-modifying treatments for HD will be a reality. However, success of potential candidates may be hindered by a lack of sensitive tools to measure biological efficacy over short intervals. Decades of attempts to develop robust biofluid biomarkers of HD progression has yielded little success or replication of results. Cerebrospinal fluid (CSF), fluid that bathes the brain and is enriched for brain-specific proteins, is a plausible target for uncovering neuropathologically relevant markers of HD. However, a lack of standardisation of collection protocols, biological rationale and technological sensitivity has hampered the progress of CSF biomarkers within the field of HD. At the core of this thesis lies the HD-CSF study – a single-site CSF collection study, with a standardised protocol designed to generate high-quality CSF and blood with matched clinical and phenotypic data. It is the first CSF collection prospectively designed for longitudinal sampling and having matching MRI data. Mutant huntingtin protein (mHTT) can be quantified in CSF and has been identified as having high potential as a biomarker of HD progression. Further, the interpretation of drug-induced lowering of mHTT in the CNS relies upon elucidation of the natural history of CSF mHTT in HD gene carriers. Neurofilament light (NfL) has emerged as a promising marker of neuronal damage that can be measured in CSF and blood. This thesis includes the first reports of blood NfL in HD, head to head comparison of NfL and mHTT, and assessment of longitudinal alterations in mHTT and NfL, in addition to proposed biomarkers of specific pathogenic pathways. The work in this thesis will have significant implications for the use of NfL and mHTT as pharmacodynamic markers of HD.
Performance of high explosives in underwater applications. Part 2: Aluminized explosives

The change in postdetonation free energy has been used for assessment of the sum of shock and bubble energies of aluminized explosives in underwater applications. As has been suggested for CHNO explosives the detonation pressure also in this case seems to be a significant factor. For compositions with a high Al content it is probable that additional energy becomes available from reaction of Al with water in the surrounding medium.
Resolving Short Range Order of Amorphous Solids

RESOLVING SHORT RANGE ORDER OF AMORPHOUS SOLIDS Aly Rahemtulla University of Guelph 2020 Advisors: Professor Stefan W. Kycia Dr. Bruno Tomberli Determining the structure of amorphous solids has been an ongoing challenge. The lack of long range ordering allows multiple solutions to fit experimental data equally well. Models are created based on physical principles to generate possible solutions to reconcile experimental and theoretical data. This work introduces the Self-sorted Local Atomic Motif (SLAM) method as a robust tool for visually inspecting and identifying unique structural geometries present in a model. Through SLAMs differences in structure are identified between models of amorphous silicon (a-Si) and amorphous germanium (a-Ge) before and after annealing. Here, the 3-coordination known to exist in these systems is identified to be composed of two different motifs; the Semi-Buckled and Highly-Buckled motifs. Upon annealing, the occupation and the shape of these motifs are observed to change. The SLAM method is additionally applied to a 300,000 atom model of Cu50Zr50 metallic glass during a shearing process. This highly disordered system contains a large amount of icosahedra that convert to 9-coordinated motifs in the region where the shear band forms. Large networks of icosahedra are shown to permanently disappear in this region at a critical point creating a structural indicator of when a metallic glass is permanently deformed. High-resolution pair distribution function measurements are performed on a-Se when annealed at different times showcasing the capabilities of creating high resolution measurements at the Brockhouse Sector in the Canadian Light Source.
A conformational analysis of mono and dialkyl ethers of 2,2′‐dihydroxy‐1,1′‐binaphthalene by circular dichroism spectroscopy and cholesteric induction in nematic liquid crystals

The coupling of the analysis of the absorption and circular dichroism (CD) spectra with that of the cholesteric mesophases induced in nematic liquid crystals indicated some interesting conformational features of bridged and nonbridged mono- and dialkylethers of optically active 2,2′-dihydroxy-1,1′-binaphthalene. Bridged derivatives are characterized by relatively small dihedral angles. Simple monoalkyl ethers are characterized by larger dihedral angles but they all assume an s-cis conformation, owing to the existence of intramolecular hydrogen bonds. Nonbridged dialkylethers prefer even larger dihedral angles and, depending on the bulkiness of the alkyl groups, the s-trans conformation can be found. Interestingly, the conformation of dialkylethers is strongly dependent on the structure of the liquid crystal solvent, because the intramolecular hydrogen bond is not possible there. © 1995 Wiley-Liss, Inc.
Depressão endogâmica e variabilidade genética de populações para produção de milho verde

A producao de milho verde e uma atividade de grande importância para varias regioes do Brasil. Apesar disso, os programas de melhoramento tem dedicado poucos esforcos para desenvolver e recomendar cultivares especificamente para esta finalidade. Assim, e fundamental que programas de melhoramento de instituicoes publicas busquem atender este nicho de mercado, que tem um papel social relevante, por ser conduzido principalmente em pequenas areas. Este trabalho teve como objetivo estimar a depressao endogamica e os componentes geneticos de tres populacoes para a producao de milho verde. As populacoes avaliadas apresentam bases geneticas distintas: uma variedade de polinizacao aberta, denominada UFG--Samambaia (P1), uma populacao formada pelo cruzamento de dois hibridos mais antigos (P2) e a terceira formada pelo cruzamento de hibridos modernos (P3). Foram obtidas progenies destas tres populacoes por meio de uma amostragem de plantas S0 autofecundadas. As progenies S1, as tres populacoes S0 e duas testemunhas foram avaliadas em um latice triplo 14 x 14 com parcelas de uma linha de quatro metros. Foram avaliados os caracteres agronomicos: peso de espigas, altura de plantas, altura de espigas, posicao relativa da espiga, quebramento e acamamento, florescimento feminino, florescimento masculino; e os caracteres de qualidade de espigas: peso de massa, peso de espigas sem palha, comprimento de espigas sem palha, diâmetro de espigas, alinhamento de espigas, empalhamento de espigas, cor de graos. As analises estatisticas foram realizadas via abordagem de modelos mistos. Foi estimada depressao por endogamia para todos os caracteres e os componentes de medias (m+a’ e d) e variância. Foi observada variabilidade genetica para a maioria dos caracteres entre as progenies da P1. As progenies das populacoes P2 e P3 nao apresentaram variabilidade genetica para maioria dos caracteres. As tres populacoes sofreram impactos quando submetidas a autofecundacao devido aos efeitos da endogamia. A depressao por endogamia na P1 tem maiores indices para maioria dos caracteres: altura de plantas, altura de espigas, posicao relativa da espiga, peso de massa, comprimento de espigas sem palha, alinhamento de espigas e empalhamento; Na P2, os caracteres florescimento masculino, peso de espigas sem palha e diâmetro de espigas apresentaram maiores indice e na P3, os caracteres peso de espiga, florescimento feminino, quebramento e acamamento e cor de grao. De maneira geral, os caracteres de qualidade de espiga, importantes para producao de milho verde apresentaram maior depressao por endogamia que os caracteres agronomicos. Isso mostra que, deve-se considera-la a depressao por endogamia no processo de selecao, sendo necessario aumentar a frequencia de alelos favoraveis ao longo do processo de melhoramento. Abstract:
Calculation of density fluctuation contributions to thermodynamic properties of simple fluids

An equation of state, expressed in the form of a recursion relation for the Helmholtz free energy density, is presented. This equation of state represents the free energy density as an initial mean field free energy density, plus a sum of density fluctuation correction terms which serve both to dress the initial mean field equation of state into a more accurate analytic equation of state away from the critical region, and to provide the characteristic asymptotic singular behavior in the critical region. Numerical solutions of the recursion relations are described and presented as pressure isotherms and the calculated density coexistence curve. A comparison is made with simple fluid data for temperatures in the range 0.7≤T/Tc≤1.5 and densities in the range 0≤ρ/ρc≤2.5. In particular, good agreement is found near the critical point. Three critical exponents, δ, γ, and β, are calculated and found to be in good agreement with simple fluid data as well as with renormalization group results for the 3D Ising model.
Role of Computed Tomography Perfusion in Identification of Acute Lacunar Stroke Syndromes

Supplemental Digital Content is available in the text. Background and Purpose: Lacunar syndromes correlate with a lacunar stroke on imaging in 50% to 60% of cases. Computed tomography perfusion (CTP) is becoming the preferred imaging modality for acute stroke triage. We aimed to estimate the sensitivity, specificity, and predictive values for noncontrast computed tomography and CTP in lacunar syndromes, and for cortical, subcortical, and posterior fossa regions. Methods: A retrospective analysis of confirmed ischemic stroke patients who underwent acute CTP and follow-up magnetic resonance imaging between 2010 and 2018 was performed. Brain noncontrast computed tomography and CTP were assessed independently by 2 stroke neurologists. Receiver operating characteristic curve analysis was performed to estimate sensitivity, specificity, and area under the curve (AUC) for the detection of strokes in patients with lacunar syndromes using different CTP maps. Results: We found 106 clinical lacunar syndromes, but on diffusion-weighted imaging, these consisted of 59 lacunar, 33 cortical, and 14 posterior fossa strokes. The discrimination of ischemia identification was very poor using noncontrast computed tomography in all 3 regions, but good for cortical (AUC, 0.82) and poor for subcortical and posterior regions (AUCs, 0.55 and 0.66) using automated core-penumbra maps. The addition of delay time and mean transient time maps substantially increased subcortical (AUC, 0.80) and slightly posterior stroke detection (AUC, 0.69). Conclusions: Analysis of mean transient time and delay time maps in combination with core-penumbra maps improves detection of subcortical and posterior strokes.
Performance of Proton Exchange Membrane in the Presence of Mg2

Proton exchange membrane (PEM) fuel cell is regarded as one of the potential renewable energy which may provide a possible long-term solution to reduce carbon dioxide emissions, reduce fossil fuel dependency and increase energy efficiency. Even though great progress has been made, long-term stability and durability is still an issue. The contamination ion plays an important role on the electrical performance of PEM fuel cell. This paper investigates the effect of Mg2+ contamination on PEM fuel cell performance as a function of Mg2+ concentration. Two levels of Mg2+ concentration was chose. From the experimental results, it can be obtained that a significant drop in fuel cell performance occurred when Mg2+ was injected into the anode fuel stream. The voltage and power density of fuel cell decreased larger and larger with increase of Mg2+ concentration over time. The Mg2+ mainly caused the concentration polarization loss from the anode catalyst to the membrane in fuel cell.
Effects of Changed Climate Conditions on Tropospheric Ozone over Three Centuries

The ozone chemistry in four decades (1890s, 1990s, 2090s and 2190s) representing the changes over three centuries has been simulated using the chemistry version of the atmospheric long-range transport model: the Danish Eulerian Hemispheric Model (DEHM) forced with meteorology projected by theECHAM5/MPI-OM coupled Atmosphere-Ocean General Circulation Model. The largest changes in meteorology, ozone and its precursors are found in the 21st century, however, also significant changes are found in the 22nd century. At surface level the ozone concentration is projected to increase due to climate change in the areas where substantial amounts of ozone precursors are emitted. Elsewhere a significant decrease is projected at the surface. In the free troposphere a general increase is found in the entire Northern Hemisphere except in the tropics, where the ozone concentration is decreasing. In the Arctic the ozone concentration will increase in the entire air column, which most likely is due to changes in atmospheric transport. Changes in temperature, humidity and the naturally emitted Volatile Organic Compounds (VOCs) are governing the changes in ozone both in the past, present and future century.
Development of a New Type of Open Tubular Capillary Liquid Chromatography System Based on Microphase Separation of Mixed Solvents

This paper describes a new type of open tubular capillary liquid chromatography (OTCLC) which utilizes the microheterogenities and preferential solvation phenomena in organic-water mixed solvents. Several model compounds have been separated by the proposed OTCLC system, and it has been confirmed the separation occurs due to the micro-phase separation of the mobile phase enhanced by salts. The well-known Golay equations were applied to characterize and optimize the OTCLC system.
EXPLORING THE RELATIONSHIP BETWEEN ORGANISATIONAL IDENTIFICATION AND ORGANISATIONAL CITIZENSHIP BEHAVIOUR AMONG EMPLOYEES IN A UNIVERSITY OF TECHNOLOGY IN SOUTH AFRICA

Organisational identification is an important construct in organisational behaviour research since employees use it as a source of information about themselves to enhance their self-worth, while organisational citizenship behaviour continues to be of great interest among practitioners and academics in the workplace. The importance of organisational identification lies in its plausible effects on organisational citizenship behaviour. Drawing from a synthesis of the literature, this study seeks to establish a relationship between organisational identification and organisational citizenship behaviour, in a university of technology in South Africa. A quantitative research approach using a cross-sectional survey design and a post-positivist paradigm was applied in this study. Data were collected with the aid of a structured questionnaire and the results are based on 253 responses obtained through a convenience sampling technique. The data were analysed using descriptive statistics, correlation and regression analyses. A correlation analysis indicated that organisational identification and organisational citizenship behaviour were significantly and positively related. In terms of practical significance, weak to moderate relationships were also revealed between the two constructs. Furthermore, multiple regression analyses revealed that a significant amount of unique variance in altruism, conscientiousness, sportsmanship, courtesy and civic virtue could be accounted for by organisational identification. As a result, this study contributes to the extant literature as it demonstrated that the management of this institution could make use of organisational identification to prompt their employees to display organisational citizenship behaviours in the workplace successfully.
Biodiesel from minor vegetable oils like karanja oil and nahor oil

The present study investigated the scope of two minor vegetable oils, i.e. karanja (Pongamia glabra) oil and nahor (Mesua ferrea L., Guttiferae) oil, as raw material for biodiesel fuel. The distilled fatty acid methyl esters obtained from karanja oil and nahor oil have the following characteristics: cetane indices 56.2, 54.6; heat of combustion (kcal/mol) 8.26, 8.39; flash points (°C) 134, 142; cloud points (°C) 8.3, 6.1, respectively. All these properties of the distilled methyl esters reveal that karanja oil and nahor oil can be suitably used as cheap raw material for the synthesis of biodiesel.
Application of IoT in Predictive Health Analysis– A Review of Literature

Internet of Thing (IoT) has influenced several fields these days. Healthcare is one among them. The field of health care has been changed forever with the help of smart devices, wearable along with the overall level of inventions and connectivity in terms of the modern medical equipment. IoT, Cloud computing and other emerging technologies use data from different devices distributed across the network. Among those applications that are facilitated by the IoT, applications related to health care are most significant ones. Predictive analysis is carried out on the real-time data of patients to analyze their current situation for the purpose of effective and accurate clinical-decision making. Generally, internet of thing has been extensively utilized for interconnecting the advanced medical resource as well as for providing effective and smart health care services to the people. In order to monitor the condition of the patient, advanced sensors can be embedded or worn within the patient’s body. The data accumulated to such an extent that those data can be examined, aggregated as well as mined to do the initial predictions of diseases. Moreover, physicians are assisted by the processing algorithm for the personalization of treatment and at the same time thereby making the field of heath care more economical. This literature review is carried out by using the secondary data obtained from peer-reviewed journals and other sources on the web. This review aims to explain the use of IoT for providing smart healthcare solutions. The limitation of this study is that the major focus is on application side there by excluding the hardware and theoretical aspects related to the subject.