Miracle-dz/UniFAR-FTUs huggingface dataset:
Condensation de Bose-Einstein multiple dans les modes d’ordre supérieurs d’une cavité optique bi-fréquence

Les gaz quantiques degeneres des atomes neutres sont d’excellentssystemes avec les applications importantes dans les etudes de la physique a plusieurs corps, de la matiere condensee, de la mesure de haute precision et de l'information quantique. Dans cette these, nous demontrons la production des condensats de Bose-Einstein de 87Rb dans les differents modes transverses de la cavite qui a une configuration en papillon (bow-tie cavity). La cavite est resonante a deux longueurs d'onde, 1560 nm et 780 nm. Nous utilisons la radiation a 1560 nm, une longueur d'onde accessible dans la telecommunication (bande C) pour obtenir le condensat de Bose-Einstein dans un piege dipolaire intra-cavite. La cavite optique permet de realiser un piege dipolaire profond a partir d'une source optique a puissance moderee (3W), grâce a l'amplification de la puissance au sein du resonateur. Les modes non degeneres du resonateur permettent d'obtenir de multiples condensats dans les modes transverses superieurs. Comme exemples representatifs, nous avons realise le condensat de Bose-Einstein dans le mode fondamental et le mode TEM01 de la cavite. L'utilisation de ces modes nous permet d'avoir un et deux puits de potentiels pour le piegeage ou l'echantillon atomique ultra-froid est couple au mode du resonateur. En controlant la puissance relative entre le mode fondamental et les modes transverses superieurs (TEM01, TEM10), nous arrivons a realiser la division et la recombinaison d’un 'ensemble atomique ultra-froid. De plus, dans ce manuscrit nous presentons le developpementd'un systeme d'asservissement autour de la cavite optique qui nous permet d'obtenir les deux radiations asservies sur le resonateur ainsi que la stabilisation de la longueur de la cavite sur les atomes de rubidium. La deuxieme longueur d'onde provient du faisceau a 1560 nm apres le doublage de frequence. Par la suite, les deux longueurs d'onde sont asservies sur la cavite par la technique de Pound-Drever-Hall. Une partie du composant double en frequence est comparee en frequence avec un laser a 780 nm asservi sur les atomes de rubidium par la technique de battement optique. Ensuite, le signal de battement est converti par un synthetiseur de frequence et est envoye vers le controleur de transducteur piezo-electrique de la cavite via un regulateur PI pour eviter la derive a long terme liee aux fluctuations de la temperature. La resonance a 780 nm sera utilisee comme faisceau de sonde intra-cavite. Cela nous permettra de realiser une mesure quantique non-destructive et de generer des etats comprimes de spins induits par cette mesure
The influence of marine microbial activities on aerosol production: A laboratory mesocosm study

The oceans cover most of the Earth's surface, contain nearly half the total global primary biomass productivity, and are a major source of atmospheric aerosol particles. Here we experimentally investigate links between biological activity in seawater and sea spray aerosol (SSA) flux, a relationship of potential significance for organic aerosol loading and cloud formation over the oceans and thus for climate globally. Bubbles were generated in laboratory mesocosm experiments either by recirculating impinging water jets or glass frits. Experiments were conducted with Atlantic Ocean seawater collected off the eastern end of Long Island, NY, and with artificial seawater containing cultures of bacteria and phytoplankton Thalassiosira pseudonana, Emiliania huxleyi, and Nannochloris atomus. Changes in SSA size distributions occurred during all phases of bacterial and phytoplankton growth, as characterized by cell concentrations, dissolved organic carbon, total particulate carbon, and transparent exopolymer particles (gel‐forming polysaccharides representing a major component of biogenic exudate material). Over a 2 week growth period, SSA particle concentrations increased by a factor of less than 2 when only bacteria were present and by a factor of about 3 when bacteria and phytoplankton were present. Production of jet‐generated SSA particles of diameter less than 200 nm increased with time, while production of all particle diameters increased with time when frits were used. The implications of a marine biological activity dependent SSA flux are discussed.
Examining the prevalence and potential correlates of anxiety in Irish women

5 Chapter 1: Introduction . 6 1.1 Prevalence and Impact of Anxiety.6 1.2 Anxiety as a Mental Health Disorder. 1.3 Sex Differences in Anxiety . 1.4 Anxiety in Women 1.5 Anxiety in younger women 1.6 Anxiety in Women with Comorbid Depression 1.7 Anxiety in Women After a Previous Trauma 1.8 Anxiety in Women who are Biological Mothers 1.9 Anxiety in Women as Related to Stress 1.10 Anxiety in Women as a Function of Rumination 1.11 Objectives of this study Chapter 2: Methodology . 20 2.1 Participants . 20 2.2 Design . 22 2.3 Materials . 23 2.4 Procedure . 24 2.5 Ethics 2.6 Data Analysis Chapter 3: Results . 27 3.1 Descriptive statistics . 27
Towards Improving Local Policy Responses to Food Insecurity: Exploratory and Predictive Analytics

Academic research and policy proposals that aim to alleviate food insecurity in the United States can benefit tremendously from new developments in analytics. Much academic literature has singled out predictors for food insecurity. However, the research so far often focuses on either the individual or the aggregated state or country level. Both levels of analysis are either too granular or too broad to inform public policy effectively. The research that does focus on medium-size units of analysis, on the other hand, lacks incorporation of non-linear effects at the community level. Our research aims at incorporating the literature of social capital to account for potential non-linearity. We propose a case study at the county level in North Carolina that can be extended to a national scale.
Inhibition of calcium-independent phospholipase A2 induces prostate cancer cell cytostasis

The goal of this work was to identify mechanisms by which inhibition of calciumindependent phospholipase A2 (iPLA2) induces cytostasis in human LNCaP (p53 wild-type and androgen-sensitive) and PC-3 (p53 negative and androgen-insensitive) prostate cancer cells. Both the iPLA2 selective inhibitor bromoenol lactone (BEL) and iPLA2 siRNA induced cytostasis. Cytostasis correlated to a G1/G0 arrest in LNCaP cells and a G2/M arrest in PC-3 cells. In LNCaP cells, G1 arrest was preceded by increases in tumor suppresser protein p53 and p21. In contrast, neither p53 nor p21 was detectable in PC-3 cells, suggesting that BEL activates p21 independently of p53. Further, the iPLA2 selective inhibitor S-BEL had greater affects on cytostasis, phosphorylated (P)-p53 (Ser15), p53 and p21 expression than the iPLA2 inhibitor RBEL, suggesting that iPLA2 plays more important roles in cytostasis and p53/p21 epxression than iPLA2. BEL decreased cell growth correlated to activation of p38MAPK in both cells. In contrast, BEL only transiently induced ERK in PC-3 cells but not in LNCaP and did not activate JNK in either cell line. Pharmacological inhibition of p38 inhibited BEL-induced increases in Pp53 (Ser15), p53 and p21 as well as G1 arrest in LNCaP cells. BEL treatment also induced reactive species (RS) in PC-3 and LNCaP cells. The antioxidant NAC inhibited BEL-induced RS, p38, p53 and cytostasis in LNCaP cells and attenuated BEL induced RS and cytostasis in PC-3 cells, supporting the hypothesis that RS mediated cytostasis induced by iPLA2 inhibition. Cytostasis induced by iPLA2 inhibition was not reversed by lysophosphatidic acids (LPA) or polyunsaturated fatty acids (PUFA). Thus we tested the hypothesis that iPLA2 inhibition induces cytostasis in prostate cancer cells by altering phospholipid profiles. BEL treatment increased the abundance of unsaturated phosphatidylcholine (PtdCho) and decreased saturated PtdCho without altering phosphatidylserines (PtdSer) or phosphatidylethanolamines (PtdEtn). These results demonstrate that iPLA2 inhibition alters the phospholipid profile of human prostate cancer cells in correlation with induction of cytostasis and identifies the specific phospholipids involved. In conclusion, novel roles of iPLA2 in prostate cancer cell growth and signaling are demonstrated, suggesting that iPLA2 represent a novel therapeutic target for treatment of prostate cancer. INDEX WORDS: Phospholipase A2, Phospholipids, p53, Mitogen Activated Protein Kinases, Reactive species, Phospholipid Profiles INHIBITION OF CALCIUM-INDEPENDENT PHOSPHOLIPASE A2 INDUCES PROSTATE CANCER CELL CYTOSTASIS
Low‐Temperature Solution‐Processed CuCrO2 Hole‐Transporting Layer for Efficient and Photostable Perovskite Solar Cells

Organic–inorganic hybrid perovskite solar cells (PVSCs) have become the front‐running photovoltaic technology nowadays and are expected to profoundly impact society in the near future. However, their practical applications are currently hampered by the challenges of realizing high performance and long‐term stability simultaneously. Herein, the development of inverted PVSCs is reported based on low temperature solution‐processed CuCrO2 nanocrystals as a hole‐transporting layer (HTL), to replace the extensively studied NiOx counterpart due to its suitable electronic structure and charge carrier transporting properties. A ≈45 nm thick compact CuCrO2 layer is incorporated into an inverted planar configuration of indium tin oxides (ITO)/c‐CuCrO2/perovskite/[6,6]‐phenyl‐C61‐butyric acid methyl ester (PCBM)/bathocuproine (BCP)/Ag, to result in the high steady‐state power conversion efficiency of 19.0% versus 17.1% for the typical low temperature solution‐processed NiOx‐based devices. More importantly, the optimized CuCrO2‐based device exhibits a much enhanced photostability than the reference device due to the greater UV light‐harvesting of the CuCrO2 layer, which can efficiently prevent the perovskite film from intense UV light exposure to avoid associated degradation. The results demonstrate the promising potential of CuCrO2 nanocrystals as an efficient HTL for realizing high‐performance and photostable inverted PVSCs.
Adsorption and diffusion of CO2 and CH4 in covalent organic frameworks: an MC/MD simulation study

ABSTRACT Covalent organic frameworks (COFs) are a promising gas separation material which have been developed recently. In this work, we have used grand canonical Monte Carlo (GCMC) and molecular dynamics (MD) simulations to investigate the adsorption and diffusion properties of CO2 and CH4 in five recent synthesised COF materials. We have also considered the properties of amino-modified COFs by adding –NH2 group to the five COFs. The adsorption isotherm, adsorption/diffusion selectivity, self/transport diffusion coefficients have been examined and discussed. All of the five COFs exhibit promising adsorption selectivity which is higher than common nanoporous materials. An S-shaped adsorption isotherm can be found for CO2 instead of CH4 adsorption. The introduction of –NH2 group is effective at low pressure region (<200 kPa). The diffusion coefficients are similar for TS-COFs but increase with the pore size for PI-COFs, and the diffusion coefficients seem less dependent on the –NH2 groups.
Structural and dynamical properties predicted by reactive force fields simulations for four common pure fluids at liquid and gaseous non-reactive conditions

Abstract Four common pure fluids were chosen to elucidate the reliability of reactive force fields in estimating bulk properties of selected molecular systems: CH4, H2O, CO2 and H2. The pure fluids are not expected to undergo chemical reactions at the conditions chosen for these simulations. The ‘combustion’ ReaxFF was chosen as reactive force field. In the case of water, we also considered the ‘aqueous’ ReaxFF model. The results were compared to data obtained implementing popular classic force fields. In the gas phase, it was found that simulations conducted using the ‘combustion’ ReaxFF formalism yield structural properties in reasonable good agreement with classic simulations for CO2 and H2, but not for CH4 and H2O. In the liquid phase, ‘combustion’ ReaxFF simulations reproduce reasonably well the structure obtained from classic simulations for CH4, degrade for CO2 and H2, and are rather poor for H2O. In the gas phase, the simulation results are compared to experimental second virial coefficient data. The ‘combustion’ ReaxFF simulations yield second virial coefficients that are not sufficiently negative for CH4 and CO2, and slightly too negative for H2. The ‘combustion’ ReaxFF parameterisation induces too strong an effective attraction between water molecules, while the ‘aqueous’ ReaxFF yields a second virial coefficient that is in reasonable agreement with experiments. The ‘combustion’ ReaxFF parameterisation yields acceptable self-diffusion coefficients for gas-phase properties of CH4, CO2 and H2. In the liquid phase, the results are good for CO2, while the self-diffusion coefficient predicted for liquid CH4 is slower, and that predicted for liquid H2 is about nine times faster than those expected based on classic simulations. The ‘aqueous’ ReaxFF parameterisation yields good results for both the structure and the diffusion of both liquid and vapour water.
Seasonal climate summary for the southern hemisphere (winter 2017): exceptionally warm days for Australia

This is a summary of the southern hemisphere atmospheric circulation patterns and meteorological indices for austral winter 2017; an account of seasonal rainfall and temperature for the Australian region is also provided. The El Niño–Southern Oscillation was neutral during winter 2017, as was the Indian Ocean Dipole. A positive Southern Annular Mode influenced the climates of southern hemisphere countries at times during winter. Despite the lack of large-scale ocean influences, mean temperatures for the season were very much above average across large areas of Australia, New Zealand, southern Africa and South America. Precipitation during the season was below average across much of Australia, South Africa and western areas of Chile and Argentina, but above average in some southern and eastern areas of South America.
Modelling and experimental investigation of waste tyre pyrolysis process in a laboratory reactor

A mathematical model of waste tyre pyrolysis process is developed in this work. Tyre material decomposition based on a simplified reaction mechanism leads to main product lumps: noncondensable (gas), condensable (pyrolytic oil) and solid (char). The model takes into account kinetics of heat and mass transfer in the grain of the shredded rubber material as well as surrounding gas phase. The main reaction routes were modelled as the pseudo-first order reactions with a rate constant calculated from the Arrhenius type equation using literature values of activation energy determined for main tyre constituents based on TG/DTG measurements and tuned pre-exponential parameter values obtained by fitting theoretical predictions to the experimental results obtained in our laboratory reactor. The model was implemented within the CFD software (ANSYS Fluent). The results of numerical simulation of the pyrolysis process revealed non-uniformity of sample’s porosity and temperature. The simulation predictions were in satisfactory agreement with the experimentally measured mass loss of the tyre sample during pyrolysis process investigated in a laboratory reactor.
Flavor-Profile Analysis: An Objective Sensory Technique for the Identification and Treatment of Off-Flavors in Drinking Water

Flavor-profile analysis (FPA) is a sensory method utilizing a trained panel of four to six individuals. Reference materials are used to establish a common vocabulary for different odors found in drinking water. Known quantities of different taste- and odor-causing chemicals are evaluated to calibrate the panel on a consistent intensity scale. Each identifiable descriptor is assigned its own intensity. This method has been successfully applied in the analysis of musty-smelling compounds, e.g., 2-methylisoborneol (MIB). MIB samples and standards from 1 to 80 ng/l have been shown to observe the WeberFechner law (i.e., a plot of flavor intensity versus logarithm of concentration of MIB yielded a straight line). FPA has also been used to handle fishy/swampy odor problems. In many instances, specific causative organic compounds were not identified; however, FPA evaluations of water using different free-chlorine dosages and contact times made possible immediate resolution of these odor problems. FPA has yielded reproducible sensory data that have been useful in better understanding and handling off-flavors in drinking water.
Membrane binding properties of RAB GTPases

RAB GTPases are major regulators of vesicular trafficking and localize to specific compartments. Deciphering the molecular mechanisms governing RAB localization is thus critical to understand intracellular transport processes. We have managed, for the first time, to incorporate purified and prenylated RABs into artificial membranes. By doing so, we observed that RAB6, but not RAB1 or RAB5, is able to promote by itself vesicle tethering. We believe that RAB6 is able to interact in trans with itself and to consequently drive homotypic membrane tethering. In the main part of this study, we investigated the physicochemical membrane requirements necessary for RAB recruitment. RAB1, RAB5 and RAB6 were all found to only localize to disordered membrane domains and to preferentially bind to curved membranes. We demonstrated that this specific recruitment of RAB1, RAB5 and RAB6 is primarily dependent on the hydrophobic insertion of their prenyl group into lipid packing defects. In contrast, RAB35 recruitment was primarily dependent on the presence of negatively charged lipids and was found to be modulated, to a lesser extent, by lipid packing defects. Although RAB4 and RAB11 were effectively recruited to purified Golgi fractions, in an effector-independent manner, membrane charges and lipid packing defects were not sufficient to promote their recruitment to synthetic vesicles; suggesting that RAB4 and RAB11 require more demanding membrane physicochemical properties. Our work demonstrates that the properties of membranes are critical for the regulation of RAB specific membrane targeting.
Integrating Intra-and Inter-document Evidences for Improving Sentence Sentiment Classification

Sentence sentiment classification is an important task of sentiment analysis.It aims to classify the sentences into positive,negative,or objective.One can consider sentence sentiment classification as a standard text categorization problem.However,determining the sentiment orientation of a review sentence requires more than the features inside the sentence itself,especially for the sentences with little or ambiguous inside sentence features.Through observing,some features outside the sentence can interact with its inside features to enhance the overall performance of sentence sentiment classification.Thus in this paper,we propose two such outside sentence features:intra-document evidence and inter-document evidence.Then in order to improve the sentence sentiment classification performance,a graph-based propagation approach is presented to incorporate these inside and outside sentence features.The experimental results on camera domain show that the proposed approach performs better than the approaches without using outside sentence features,and outperforms other representational previous approaches.
Hierarchical Nanostructures: Design for Sustainable Water Splitting

Clean and sustainable hydrogen generation renders a magnificent prospect to fulfill the humans' dream of rebuilding energy supplying systems that work eternally and run without pollution. Water electrolysis driven by a renewable resource of energy, such as wind and solar, is a promising pathway to achieve this goal, which requires highly active and cost‐effective electrode materials to be developed. In this comprehensive review, we introduce the utilization of hierarchical nanostructures in electrocatalytic and photoelectrochemical applications. The unique emphasis is given on the synthetic strategies of attaining these hierarchical structures as well as to demonstrate their corresponding mechanisms for performance improvement. Rather than simply discussing all the methods that can be used in nanofabrication, we focus on extracting the rules for structural design based on highly accessible and reliable methods. Examples are given to illustrate the versatility of these methods in the synthesis and manipulation of hierarchical nanostructures, which are concentrated on nonprecious transition metals or their alloys/compounds. Through this study, we aim to establish valuable guidelines and provide further insights for researchers to facilitate their design of more efficient water splitting systems in the future.
UNIVERSIDADE FEDERAL DA PARAÍBA CENTRO DE CIÊNCIAS EXATAS E DA NATUREZA DEPARTAMENTO DE QUÍMICA PROGRAMA DE PÓS-GRADUAÇÃO EM QUÍMICA

In this work, computational chemistry calculations and thermal analysis experiments were performed in order to determine the oxidative stability of four fatty acid methyl esters (stearate, oleate, ricinoleate and linoleate), whose fatty chains may be inserted in oils and biodiesel. In the computational chemistry investigation the sequence of stabilities, based on the dissociation energy of the C-H bond was: C18:2 0.98). A biodiesel representation model was also developed, expressing its main oxidation sites and molecular descriptors for several physico-chemical properties. This representation is expressed by the molecular formula and shows as one of its advantages the easy display of biodiesel data, what makes more evident the study of structure/property relationship. Its application for the four FAME’s and twenty-three blends allowed determining the oxidation temperature (OT) in an air atmosphere, based on the descriptors for allylic hydrogen (H*) and bis-allylic hydrogens (H**). From such model a program in language C was elaborated, whose input is the FAME mole fraction and whose output is the OT in a synthetic air atmosphere.
Excited state properties of non-doped thermally activated delayed fluorescence emitters with aggregation-induced emission: a QM/MM study

The excited state properties of dibenzothiophene-benzoyl-9,9-dimethyl-9,10-dihydroacridine (DBT-BZ-DMAC) in the solid phase are theoretically studied through a combined quantum mechanics and molecular mechanics (QM/MM) method. The results indicate that the non-radiative decay rate of the molecule in the solid phase is significantly decreased due to the suppression of the rotation of the DMAC and DBT units in the molecule, while the radiative rate is greatly increased owing to the enhancement of the transition dipole moment. Moreover, the fluorescence efficiency in the solid phase (20.5%) is shown to be much larger than that in the gas phase (0.01‰), which confirms that DBT-BZ-DMAC is a typical aggregation-induced emission (AIE) system. The results further display that both the intersystem crossing (ISC) and reverse intersystem crossing (RISC) processes take place between the first singlet excited state (S1) and the lowest degenerate triplet excited states (T1 and T2). In addition, the charge transfer rate is studied using the Marcus theory and the intrinsic charge mobility is calculated by performing the kinetic Monte Carlo method. The results show that the DBT-BZ-DMAC crystal is a p-type semiconductor with a hole mobility of 0.14 cm2 V−1 s−1 at room temperature. Our investigation elucidates the experimental measurements and helps one to understand the AIE mechanisms of the DBT-BZ-DMAC fluorescence emitter, which is beneficial for developing new TADF emitters.