198,232 research outputs found
AI3SD Video: Prediction in organometallic catalysis – a challenge for computational chemistry
No full textComputational results are now routinely used to contribute to the interpretation of experimental data, including for the confirmation of mechanistic postulates, but their contribution to substantial predictions made before experiments remains the exception [1], at least in the area of organometallic catalysis. More effective use of what we know about chemical reactions, regardless of whether the information was generated from experiment or calculation, will clearly play a role in moving towards this kind of ab initio prediction in this field. Here the adoption of statistics and data science into the chemical sciences are proving crucial and we have built large databases of parameters characterising ligand and complex properties in a range of different environments [2-6]. In this session, I will use examples drawn from our recent work, including the early stages of our development of a reactivity database, to illustrate this approach and discuss why organometallic catalysis is such a challenging yet rewarding area for prediction.Website: https://feygroupchem.wordpress.com/References:1. J. Jover, N. Fey, Chem. Asian J., 9 (2014), 1714-1723; D. J. Durand, N. Fey, Chem. Rev., 119 (2019), 6561-6594.2. A. Lai, J. Clifton, P. L. Diaconescu, N. Fey, Chem. Commun., 55 (2019), 7021-7024.3. O. J. S. Pickup, I. Khazal, E. J. Smith, A. C. Whitwood, J. M. Lynam, K. Bolaky, T. C.King, B. W. Rawe, N. Fey, Organometallics, 33 (2014), 1751-1791.4. J. Jover, N. Fey, J. N. Harvey, G. C. Lloyd-Jones, A. G. Orpen, G. J. J. Owen-Smith, P.Murray, D. R. J. Hose, R. Osborne, M. Purdie, Organometallics, 29 (2010), 6245-6258.5. J. Jover, N. Fey, J. N. Harvey, G. C. Lloyd-Jones, A. G. Orpen, G. J. J. Owen-Smith, P.Murray, D. R. J. Hose, R. Osborne, M. Purdie, Organometallics, 31 (2012), 5302-5306.6. A. I. Green, C. P. Tinworth, S. Warriner, A. Nelson, N. Fey, Chem. Eur. J. 2020, Accepted Article, DOI: 10.1002/chem.202003801
Finite corrections to quark fragmentation functions in perturbative QCD
No full textBaier R, Fey K. Finite corrections to quark fragmentation functions in perturbative QCD. Zeitschrift für Physik C: Particles and fields. 1979;2(4):339-349
Characterization of posttranslational formylglycine formation by luminal components of the endoplasmic reticulum
No full textFey J, Balleininger M, Borissenko LV, Schmidt B, Figura von K, Dierks T. Characterization of posttranslational formylglycine formation by luminal components of the endoplasmic reticulum. JOURNAL OF BIOLOGICAL CHEMISTRY. 2001;276(50):47021-47028.C-alpha-formylglycine is the key catalytic residue in the active site of sulfatases. In eukaryotes formylglycine is generated during or immediately after sulfatase translocation into the endoplasmic reticulum by oxidation of a specific cysteine residue. We established an in vitro assay that allowed us to measure formylglycine modification independent of protein translocation. The modifying enzyme was recovered in a microsomal detergent extract. As a substrate we used ribosome-associated nascent chain complexes comprising in vitro synthesized sulfatase fragments that were released from the ribosomes by puromycin. Formylglycine modification was highly efficient and did not require a signal sequence in the substrate polypeptide. Ribosome association helped to maintain the modification competence of nascent chains but only after their release efficient modification occurred. The modifying machinery consists of soluble components of the endoplasmic reticulum lumen, as shown by differential extraction of microsomes. The in vitro assay can be performed under kinetically controlled conditions. The activation energy for formylglycine formation is 61 kJ/mol, and the pH optimum is approximate to 10. The activity is sensitive to the SH/SS equilibrium and is stimulated by Ca2+. Formylglycine formation is efficiently inhibited by a synthetic sulfatase peptide representing the sequence directing formylglycine modification. The established assay system should make possible the biochemical identification of the modifying enzyme
Funny Feminism: Reading the Texts and Performances of Viola Spolin, Tina Fey and Amy Poehler, and Amy Schemer
No full textThis study examines the feminism of Viola Spolin, Tina Fey and Amy Poehler, and Amy
Schumer, all of whom, in some capacity, are involved in the contemporary practice and performance of feminist comedy. Using various feminist texts as tools, the author contextually and theoretically situates the women within particular feminist ideologies, reading their texts, representations, and performances as nuanced feminist assertions. Building upon her own experiences and sensations of being a fan, the author theorizes these comedic practitioners in relation to their audiences, their fans, influencing the ways in which young feminist relate to themselves, each other, their mentors, and their role models. Their articulations, in other words, affect the ways feminism is contemporarily conceived, and sometimes, humorously and contentiously advocated
TLS based snow covered area maps of the Weisssee snow research site (Kaunertal, Austria)
No full textThe data set comprises an inter- and intra-annual timeseries of ten high-resolution (0.5 x 0.5 m) binary snow covered area (SCA) maps derived from TLS scans at the Weisssee Snow Research Site in Austria between March 2017 and November 2019. TLS based digital elevation models and difference (snow depth) grids can be downloaded as a separate dataset (Fey et al., 2018; https://doi.org/10.1594/PANGAEA.896843).
The binary classification of snow-covered and snow-free areas is based on intensity and snow depth. An intensity threshold of 3000 was defined based on histogram analysis in patchy snowpack conditions. Snow-covered areas were delineated according to TLS based snow depth information. Snow-depth related classifications were based on a threshold value representing the precision of the TLS acquisition represented by the standard deviation of snow-free surfaces (see Fey et al., 2019). The resulting classification was validated with fully snow covered scenes. For the scene of 2017-05-07 two available TLS scans, one with a Riegl VZ-4000 and another with a Riegl VZ-6000 scanner, were combined into one snow covered area map. This was done due to the fact that the VZ-4000 data is better suited for snow cover discrimination based on intensity data, while not providing data on wet snow surfaces in larger distance where the VZ-6000 scanner still provides snow depth observations.
The overall coverage of the scan area is identical to the one of the DGM dataset. The SCA dataset comprises three classes: snow-free (0), snow-covered (1) and NoData (-99999). No data areas are caused by obstacles in the field-of-view of the laserscanner. The SCA data can be used for validating remote sensing products including fractional snow coverage from e.g. Landsat and Sentinel-2 as done in the related literature
Effects of soft gluon emission on the opposite-side acollinearity distributions in e+e- annihilation
No full textBaier R, Fey K. Effects of soft gluon emission on the opposite-side acollinearity distributions in e+e- annihilation. Nuclear physics B. 1981;179(1):49-61
Dr. Duane M. Jackson, Morehouse College, July 2011
No full textThis video is a conversation with Dr. Duane M. Jackson. Dr. Jackson talks about his paper, "Recall and the Serial Position Effect: The Role of Primacy and Recency on Accounting Students' Performance." Jackie Daniel, AUC Woodruff Library, is the interviewer
Disfemisme pada Kolom Komentar Akun Instagram Bebby Fey
No full textPenelitian ini bertujuan untuk mendeskripsikan bentuk dan fungsi disfemisme yang terdapat dalam kolom komentar pada akun instagram Bebby Fey. Jenis penelitian ini adalah penelitian kualitatif dengan metode deskriptif. Teknik pengumpulan data pada penelitian ini menggunakan teknik baca dan teknik catat, sedangkan teknik analisis data yang dapat dilakukan pada penelitian ini yaitu mengelompokkan data-data yang diperoleh, lalu data-data yang menunjukkan indikasi ditabulasikan sesuai kelompok, kemudian mendeskripsikan permasalahan dan menyelesaikan sesuai penguasaan konteks data. Berdasarkan analisis data yang telah dilakukan, ditemukan 85 data bentuk disfemisme dengan pembagian (a) bentuk kata 35 data, (b) bentuk frasa 25 data, (c) bentuk klausa 15 data, dan (d) bentuk ungkapan 11 data. Fungsi disfemisme yang digunakan pada kolom komentar akun instagram Bebby Fey berjumlah sembilan fungsi, dengan rincian (a) sebagai perantara untuk merendahkan/menngungkapkan penghinaan berjumlah 10 data, (b) sebagai penunjuk rasa tidak suka berjumlah 10 data, (c) sebagai penggambaran negatif terhadap orang lain berjumlah 11 data, (d) sebagai penunjuk rasa marah atau jengkel berjumlah 12 data, (e) sebagai penunjuk rasa tidak hormat berjumlah 6 data, (f) sebagai sarana untuk mengolok-olok, menghina dan mencela berjumlah 14 data, (g) sebagai sarana untuk melebih-lebihkan sesuatu dalam bertutur berjumlah 6 data, (h) sebagai sarana untuk mengkritik berjumlah 7 data, dan (i) sebagai penunjuk suatu hal yang bernilai rendah berjumlah 6 data
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