Bach Institute Library holdings : J.S. Bach editions brought to press or prepared for publication during the composer's lifetime /

In container.

Adsorption of Lennard-Jones fluids in carbon slit pores of a finite length. A computer simulation study

The adsorption of simple Lennard-Jones fluids in a carbon slit pore of finite length was studied with Canonical Ensemble (NVT) and Gibbs Ensemble Monte Carlo Simulations (GEMC). The Canonical Ensemble was a collection of cubic simulation boxes in which a finite pore resides, while the Gibbs Ensemble was that of the pore space of the finite pore. Argon was used as a model for Lennard-Jones fluids, while the adsorbent was modelled as a finite carbon slit pore whose two walls were composed of three graphene layers with carbon atoms arranged in a hexagonal pattern. The Lennard-Jones (LJ) 12-6 potential model was used to compute the interaction energy between two fluid particles, and also between a fluid particle and a carbon atom. Argon adsorption isotherms were obtained at 87.3 K for pore widths of 1.0, 1.5 and 2.0 nm using both Canonical and Gibbs Ensembles. These results were compared with isotherms obtained with corresponding infinite pores using Grand Canonical Ensembles. The effects of the number of cycles necessary to reach equilibrium, the initial allocation of particles, the displacement step and the simulation box size were particularly investigated in the Monte Carlo simulation with Canonical Ensembles. Of these parameters, the displacement step had the most significant effect on the performance of the Monte Carlo simulation. The simulation box size was also important, especially at low pressures at which the size must be sufficiently large to have a statistically acceptable number of particles in the bulk phase. Finally, it was found that the Canonical Ensemble and the Gibbs Ensemble both yielded the same isotherm (within statistical error); however, the computation time for GEMC was shorter than that for canonical ensemble simulation. However, the latter method described the proper interface between the reservoir and the adsorbed phase (and hence the meniscus).

delta O-18, Sr/Ca and Mg/Ca records of Porites lutea corals from Leizhou Peninsula, northern South China Sea, and their applicability as paleoclimatic indicators

Combined seasonal to monthly resolution coral skeletal delta(18)O, Sr/Ca, and Mg/Ca records are reported for one modem and two late Holocene Porites lutea corals from a fringing reef at Leizhou Peninsula, the northern coast of the South China Sea (SCS). All the profiles for the period 1989-2000 reveal annual cycles well correlated with instrumental sea surface temperatures (SST), and display broad peaks in summer and narrow troughs in winter, reflecting seasonal growth rate variations. Calibration against instrumental SST yields the following equations: delta(18)O=-0.174(+/- 0.010)xSST(degrees C)-1.02(+/- 0.27) (MSWD=5.8), Sr/Ca-(mmol/mol)=-0.0424(+/- 0.0031)xSST(degrees C)+9.836(+/- 0.082) (MSWD=8.6), and Mg/Ca-(mmol/mol)=0.110(+/- 0.009)XSST(degrees C)+ 1.32(+/- 0.23) (MSWD=55). The scatter in the Mg/Ca-SST relationship is much larger than analytical uncertainties can account for, suggesting the presence of SST-unrelated components in the Mg/Ca variation. Calculated Sr/Ca-SST values for two later Holocene Porites lutea samples (U-series ages similar to 541 BC and similar to 487 AD, respectively) from the same reef suggest that SST in the SCS at similar to 541 BC was nearly as warm as in the 1990s (the warmest decade of the last century), but at similar to 487 AD, it was significantly cooler. This observation is consistent with climatic data reported in Chinese historic documents, confirming that the Sr/Ca-SST relationship is a reliable thermometer. Removing the SST component in the delta(18)O variation based on calculated Sr/Ca-SST values, the residual delta(18)O reflects the deviation of the Holocene seawater delta(18)O from the modem value, which is also a measure of the Holocene sea surface salinity (SSS) or the summer monsoon moisture level in mainland China. Such residual delta(18)O was close to zero at similar to 541 BC and -0.3 parts per thousand at similar to 487 AD, suggesting that it was as wet as in the 1990s at similar to 541 BC but significantly drier at similar to 487 AD in mainland China, which are also consistent with independent historic records. Calculated Mg/Ca-SST values for the two late Holocene corals are significantly lower than the Sr/Ca-SST values and are also in conflict with Chinese historic records, suggesting that coral Mg/Ca is not reliable proxy for SST. At comparable Sr/Ca ranges, fossil corals always display negative Mg/Ca offsets if compared with the modem coral of the same site. We interpret this observation as due to preferential loss of Mg during meteoric dissolution of cryptic Mg-calcite-bearing microbialites in the exposed fossil corals. Microbialites (MgO up to 17%, Sr only 100-300 ppm) are ubiquitous during reef-building processes and their presence in only a trace amount will have a significant impact on coral Mg/Ca ratios without detectable influence on coral Sr/Ca ratios. (c) 2004 Elsevier B.V. All rights reserved.

In situ studies of titania-supported Au shell-Pd core nanoparticles for the selective aerobic oxidation of crotyl alcohol

The thermal evolution of titania-supported Au shell–Pd core bimetallic nanoparticles, prepared via colloidal routes, has been investigated by in situ XPS, DRIFTS, EXAFS and XRD and ex situ HRTEM. As-prepared nanoparticles are terminated by a thin (∼5 layer) Au shell, encapsulating approximately 20 nm diameter cuboctahedral palladium cores, with the ensemble stabilised by citrate ligands. The net gold composition was 40 atom%. Annealing in vacuo or under inert atmosphere rapidly pyrolyses the citrate ligands, but induces only limited Au/Pd intermixing and particle growth <300 °C. Higher temperatures promote more dramatic alloying, accompanied by significant sintering and surface roughening. These changes are mirrored by the nanoparticle catalysed liquid phase selective aerobic oxidation of crotyl alcohol to crotonaldehyde; palladium surface segregation enhances both activity and selectivity, with the most active surface alloy attainable containing ∼40 atom% Au.

Desenvolvimento profissional de futuros professores: travessias que se entrecruzam em contextos formativos

This study aimed to understand how the educational context contributes to the professional development of future teachers on introduction to teaching practice. To this end, we seek to characterize what the learning and the difficulties experienced in training contexts by future teachers, as well as the intrinsic elements to the training contexts that enable professional development. The investigated contexts were the Institutional Program Initiation Grant to Teaching (Programa Institucional de Bolsa de Iniciação à Docência – PIBID), specifically the sub-projects of Chemistry and Physics of the Federal University of Rio Grande do Norte (Universidade Federal do Rio Grande do Norte – UFRN) and Masters in Teaching of Physics and Chemistry of the University of Lisbon (MEFQ ). In both contexts, the future teachers are in contact with the school in a systematic way. The methodology used in our study is rooted in qualitative research with interpretative guidance and the design in the study of multiple cases with instrumental purpose. Participated in this study as the main subject, 40 future teachers PIBID of Physics, 24 PIBID future teachers of Chemistry and 5 future Master Teachers in Teaching Chemistry and Physics. As supporting subjects, participated in 3 PIBID Area Coordinators, the teacher of Introduction to Professional Practice of MEFQ, and 8 teachers who teach chemistry and / or physics in public schools. Multiple data collection tools were used: naturalistic observation, descriptive questionnaire, individual interviews, focus groups, reading of written records and official documents. In analyzing the data, we used the method of questioning and constant comparison. The results showed that the main learning of future teachers are related to the strategy employed in class, the change in the understanding of the role of teacher and student in the classroom, the construction of the professional profile and the development of collaborative practices. The main difficulties were related to the development of activities, the management of time and group, the dynamics of the classroom and the material conditions of work. The characteristics inherent in training contexts investigated for professional development are: the practice itself of the research, the collaboration, the focused reflection on practice, focus on student learning and the improving public schools. From the results, it is evidenced that the training contexts centered at school have the capability to resize the practice based on the analysis of actions, in a collaborative work as well as create opportunities for awareness of the concepts, the acting and the way to understand the profession. It is needed for effective mediation trainers, so that future teachers undertake their own practice and, therefore, they can build teaching strategies that promote learning which, in addition to increase the quality of education, favor the professional development throughout life.

Stable oxygen isotope record of coral core RUS-95 from the Red Sea

A 245-year coral oxygen isotope record from the northern Red Sea (Ras Umm Sidd/Egypt, ~28°N) in bimonthly resolution is presented. The mean annual coral delta18O signal apparently reflects varying proportions of both sea surface temperature and delta18Oseawater variability. In conjunction with instrumental observations of climate the coral record suggests for interannual and longer timescales that colder periods are accompanied by more arid conditions in the northern Red Sea but increased rainfall in the southeastern Mediterranean, whereas warmer periods are accompanied by decreased rainfall in the latter and less arid conditions in the northern Red Sea. A ~70-year oscillation of probably North Atlantic origin dominates the coral time series. Interannual to interdecadal variability is correlated with instrumental indices of the North Atlantic Oscillation (NAO), the El Niño-Southern Oscillation (ENSO), and North Pacific climate variability. The results suggest that these modes contributed consistently to Middle East climate variability since at least 1750, preferentially at a period of ~5.7 years.

β-Strand mimetic foldamers rigidified through dipolar repulsion

Many therapeutically relevant protein-protein interactions contain hot-spot regions on secondary structural elements, which contribute disproportionately to binding enthalpy. Mimicry of such α-helical regions has met with considerable success, however the analogous approach for the β-strand has received less attention. Presented herein is a foldamer for strand mimicry in which dipolar repulsion is a central determinant of conformation. Computation as well as solution- and solid-phase data are consistent with an ensemble weighted almost exclusively in favor of the desired conformation.

GOSPEL SINGING IN THE VALLEY: AN INVESTIGATION INTO THE HYMNODY AND CHORAL SINGING OF THE LISU ON THE CHINA-BURMA/MYANMAR BORDER

This dissertation is an ethnomusicological study of contemporary musical practices of the Christian Lisu in Nujiang Prefecture in northwest Yunnan on the China-Myanmar border. Among all the changes that the Nujiang Lisu have experienced since the twentieth century, the spread of Protestant Christianity throughout Nujiang’s mountainous villages has existed for the longest time and had one of the greatest effects. Combining historical investigation and ethnographic description, this study uses the lens of music to examine the impact of this social change on the Lisu living in this impoverished frontier region. The Lisu characteristics have never been vital in the music written by the Christian Lisu in Nujiang. Compared with the practices described in other ethnomusicological writings on Christian music around the world that I have read, this absence of incorporation of indigenous musical elements is unusual. There are probably many other cases similar to that of the Lisu, but few ethnomusicologists have paid attention to them. I aim to elucidate this particular scenario of Lisu Christian music in relation to three social and cultural forces: the missionary legacy of conventions; the government’s identification of the Lisu as a minority nationality and its national policies toward them since the 1950s; and the transnational religious exchange between the Christian Lisu in China and Myanmar since the late 1980s. My examination focuses on two genres which the Lisu use to express their Christian beliefs today: ddoqmuq mutgguat, derived from American northern urban gospel songs, the basis of the Lisu choral singing; and mutgguat ssat, influenced by the Christian pop of the Burmese Lisu, with instrumental accompaniment and daibbit dance and preferred by the young people. Besides studying these two genres in the religious context, I also juxtapose them with other musical traditions in the overall Nujiang music soundscape and look at their role in local social interactions such as those between sacred and secular, and majority and minority. This dissertation demonstrates that the collective performances of shared repertoires have not only created a sense of affinity for the Nujiang Christian Lisu but also have reinforced the formation of Lisu transnational religious networks.

Reconstructing the last interglacial at Summit, Greenland: Insights from GISP2

The Eemian (last interglacial, 130-115 ka) was likely the warmest of all interglacials of the last 800 ka, with summer Arctic temperatures 3-5 degrees C above present. Here, we present improved Eemian climate records from central Greenland, reconstructed from the base of the Greenland Ice Sheet Project 2 (GISP2) ice core. Our record comes from clean, stratigraphically disturbed, and isotopically warm ice from 2,750 to 3,040 m depth. The age of this ice is constrained by measuring CH_4 and delta O^18 of O_2, and comparing with the historical record of these properties from the North Greenland Ice Core Project (NGRIP) and North Greenland Eemian Ice Drilling (NEEM) ice cores. The d^18 O_ice, d^15N of N_2, and total air content for samples dating discontinuously from 128 to 115 ka indicate a warming of similar to 6 degrees C between 127-121 ka, and a similar elevation history between GISP2 and NEEM. The reconstructed climate and elevation histories are compared with an ensemble of coupled climate-ice-sheet model simulations of the Greenland ice sheet. Those most consistent with the reconstructed temperatures indicate that the Greenland ice sheet contributed 5.1 m (4.1-6.2 m, 95% credible interval) to global eustatic sea level toward the end of the Eemian. Greenland likely did not contribute to anomalously high sea levels at ~127 ka, or to a rapid jump in sea level at ~120 ka. However, several unexplained discrepancies remain between the inferred and simulated histories of temperature and accumulation rate at GISP2 and NEEM, as well as between the climatic reconstructions themselves.

Preservation of Honey Bee (Apis mellifera L.) Semen

L’abeille domestique (Apis mellifera Linnaeus) joue un rôle crucial comme pollinisateur dans l’industrie de l’agriculture. Cependant, durant les dernières décennies, une mortalité des colonies d’abeilles a été observée partout à travers le monde. La conservation du sperme d’abeille est un outil efficace pour sauvegarder la diversité génétique. Sa conservation est possible à température pièce, mais la cryoconservation serait une meilleure méthode pour la conservation à long terme. Notre objectif général est de développer une méthode de cryoconservation de la semence d’abeille. L’hypothèse no.1 était que la cryoconservation de la semence d’abeille est plus efficace à long terme que les températures au-dessus de 0 °C. Nous avons évalué l’efficacité, basé sur la viabilité des spermatozoïdes, de deux températures de conservation: -196 °C et 16 °C. Après un an de conservation, la semence congelée avait une meilleure viabilité comparée à 16°C (76% ± 5% vs 0%; p < 0,05). Par la suite, la spermathèque des reines inséminées avec la semence cryoconservée a été évaluée par la migration des spermatozoïdes ainsi que la viabilité des spermatozoïdes. Il y avait beaucoup de variabilités dans nos résultats. Nous n’avons pas été en mesure de vérifier si l’ajout de la centrifugation après la conservation améliore la fertilité des reines après insémination. Toutefois, nos résultats confirment que la cryoconservation est une technique efficace pour conserver la semence d’abeille à long terme.

Lison dormoit : with an introduction and variations arranged for the harp /

Mode of access: Internet.

A new introduction and a Piemontois air : with variations for the harp /

Mode of access: Internet.

Characterisation of soils with the use of instrumental techniques : a multivariate forensic study

The value of soil evidence in the forensic discipline is well known. However, it would be advantageous if an in-situ method was available that could record responses from tyre or shoe impressions in ground soil at the crime scene. The development of optical fibres and emerging portable NIR instruments has unveiled a potential methodology which could permit such a proposal. The NIR spectral region contains rich chemical information in the form of overtone and combination bands of the fundamental infrared absorptions and low-energy electronic transitions. This region has in the past, been perceived as being too complex for interpretation and consequently was scarcely utilized. The application of NIR in the forensic discipline is virtually non-existent creating a vacancy for research in this area. NIR spectroscopy has great potential in the forensic discipline as it is simple, nondestructive and capable of rapidly providing information relating to chemical composition. The objective of this study is to investigate the ability of NIR spectroscopy combined with Chemometrics to discriminate between individual soils. A further objective is to apply the NIR process to a simulated forensic scenario where soil transfer occurs. NIR spectra were recorded from twenty-seven soils sampled from the Logan region in South-East Queensland, Australia. A series of three high quartz soils were mixed with three different kaolinites in varying ratios and NIR spectra collected. Spectra were also collected from six soils as the temperature of the soils was ramped from room temperature up to 6000C. Finally, a forensic scenario was simulated where the transferral of ground soil to shoe soles was investigated. Chemometrics methods such as the commonly known Principal Component Analysis (PCA), the less well known fuzzy clustering (FC) and ranking by means of multicriteria decision making (MCDM) methodology were employed to interpret the spectral results. All soils were characterised using Inductively Coupled Plasma Optical Emission Spectroscopy and X-Ray Diffractometry. Results were promising revealing NIR combined with Chemometrics is capable of discriminating between the various soils. Peak assignments were established by comparing the spectra of known minerals with the spectra collected from the soil samples. The temperature dependent NIR analysis confirmed the assignments of the absorptions due to adsorbed and molecular bound water. The relative intensities of the identified NIR absorptions reflected the quantitative XRD and ICP characterisation results. PCA and FC analysis of the raw soils in the initial NIR investigation revealed that the soils were primarily distinguished on the basis of their relative quartz and kaolinte contents, and to a lesser extent on the horizon from which they originated. Furthermore, PCA could distinguish between the three kaolinites used in the study, suggesting that the NIR spectral region was sensitive enough to contain information describing variation within kaolinite itself. The forensic scenario simulation PCA successfully discriminated between the ‘Backyard Soil’ and ‘Melcann® Sand’, as well as the two sampling methods employed. Further PCA exploration revealed that it was possible to distinguish between the various shoes used in the simulation. In addition, it was possible to establish association between specific sampling sites on the shoe with the corresponding site remaining in the impression. The forensic application revealed some limitations of the process relating to moisture content and homogeneity of the soil. These limitations can both be overcome by simple sampling practices and maintaining the original integrity of the soil. The results from the forensic scenario simulation proved that the concept shows great promise in the forensic discipline.

Deformable face ensemble alignment with robust grouped-L1 anchors

Many methods exist at the moment for deformable face fitting. A drawback to nearly all these approaches is that they are (i) noisy in terms of landmark positions, and (ii) the noise is biased across frames (i.e. the misalignment is toward common directions across all frames). In this paper we propose a grouped $\mathcal{L}1$-norm anchored method for simultaneously aligning an ensemble of deformable face images stemming from the same subject, given noisy heterogeneous landmark estimates. Impressive alignment performance improvement and refinement is obtained using very weak initialization as "anchors".

Multivariate nonlinear ensemble prediction of daily chaotic rainfall with climate inputs

The basic characteristic of a chaotic system is its sensitivity to the infinitesimal changes in its initial conditions. A limit to predictability in chaotic system arises mainly due to this sensitivity and also due to the ineffectiveness of the model to reveal the underlying dynamics of the system. In the present study, an attempt is made to quantify these uncertainties involved and thereby improve the predictability by adopting a multivariate nonlinear ensemble prediction. Daily rainfall data of Malaprabha basin, India for the period 1955-2000 is used for the study. It is found to exhibit a low dimensional chaotic nature with the dimension varying from 5 to 7. A multivariate phase space is generated, considering a climate data set of 16 variables. The chaotic nature of each of these variables is confirmed using false nearest neighbor method. The redundancy, if any, of this atmospheric data set is further removed by employing principal component analysis (PCA) method and thereby reducing it to eight principal components (PCs). This multivariate series (rainfall along with eight PCs) is found to exhibit a low dimensional chaotic nature with dimension 10. Nonlinear prediction employing local approximation method is done using univariate series (rainfall alone) and multivariate series for different combinations of embedding dimensions and delay times. The uncertainty in initial conditions is thus addressed by reconstructing the phase space using different combinations of parameters. The ensembles generated from multivariate predictions are found to be better than those from univariate predictions. The uncertainty in predictions is decreased or in other words predictability is increased by adopting multivariate nonlinear ensemble prediction. The restriction on predictability of a chaotic series can thus be altered by quantifying the uncertainty in the initial conditions and also by including other possible variables, which may influence the system. (C) 2011 Elsevier B.V. All rights reserved.