cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2btw79
title: CCDC 2169821: Experimental Crystal Structure Determination

description: Related Article: Shun Irii, Takuya Ogaki, Hana Miyashita, Kazutaka Nobori, Yoshiki Ozawa, Masaaki Abe, Hiroyasu Sato, Eisuke Ohta, Yasunori Matsui, Hiroshi Ikeda|2022|Tetrahedron Lett.|101|153913|doi:10.1016/j.tetlet.2022.153913
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.15151/esrf-es-771244363
title: Molecular machines in energy transduction, cellular signaling and defense processes

description: Since this BAG is composed of 7 different working groups from 3 different locations (universities of Cologne, Bochum and Düsseldorf), the projects within this proposal are of rather heterogeneous nature. Nonetheless, we are focusing on five main topics: 1.) proteins involved in transport processes, transporters or channels, either embedded in the membrane or acting in the cytosol (e. g. ABC transporters, resistance proteins) 2.) proteins involved in the immune system or resistance processes of prokaryotic bacteria and plants (dehydratases, cyclases, binding proteins) 3.) proteins involved or associated with diseases like cancer or developmental disorders (e. g. metallopeptidase, protein kinase, chaperones) 4.) enzymes of putative industrial use in order to encounter increasing environmental pollution (e. g. transaminases, estereases) 5.) proteins involved in synthesis of light harvesting pigments and chromophore binding proteins (e. g. reductases, photosensor domains)
DOI: 10.15151/esrf-es-771390324
title: NORWAY BAG

description: The fifteen PIs associated to this proposal represent the entire crystallography community in Norway and are affiliated to the major Norwegian universities. The research interests of the PIs and their collaborators revolves around topics linked to structural biology and material sciences. We apply for beam time for single- and multi-wavelength MX, Bio-SAXS and Cryo-EM, in support of our research projects funded e.g. by the Research Council of Norway and the ERC. Examples of research projects or topics are carbohydrate-active proteins of medical or bioeconomic relevance, inhibition of DNA repair enzymes, metalloprotein function and catalysis, regulation of cell-cycle processes, enzyme discovery, antibiotic resistance/drug-discovery and neurological diseases. Our overarching aim is to use bright synchrotron sources to produce high quality science.
DOI: 10.15151/esrf-es-771428046
title: Austrian Crystallographic Diffraction Consortium

description: This proposed Austrian Crystallographic Diffraction Consortium (ACDC) BAG is to support various macromolecular structural biology groups across Austria (totally 15 research groups at 8 institutions in 5 cities). We employ mainly the technique of X-ray crystallography to characterize macromolecular biological complexes. Approval of this BAG will be absolutely essential for researchers in all these groups to carry out their structural studies on various health-related subjects, which are targeted at characterizing large molecular assemblies or proteins currently under-represented in the PDB, including membrane proteins. Corresponding high-resolution diffraction data are only obtainable through the use of synchrotron radiation sources. Thus regular synchrotron access is highly desirable to maintain a competitive advantage in our individual research fields.
DOI: 10.15151/esrf-es-804825366
title: Phase relations in the Fe-Si-C ternary system at extreme conditions

description: In this experiment, we plan to study Fe-Si-C ternary system at high-pressure high-temperature conditions. This system is of significant importance for constraining the composition of the Earth’s inner core as well as of other terrestrial planets. Yet, information on the phase relations in this ternary system at extreme conditions is scarce. The aim of the experiment is to investigate which phases in the iron-rich part of the ternary Fe-Si-C system are stable under conditions relevant to the deep Earth’s interior.
DOI: 10.15151/esrf-es-804827098
title: Structural characterization of Ce and/or Nd co-doped Gd2Zr2O7 at different length scales for simulating the incorporation of Am and Pu

description: This proposal aims probing the crystallographic structure at different length scales of (Gd1-xNdx)2(Zr1-yCey)2O7 single and double doped solid solutions with x and y ranging from 0 to 1. High-resolution X-ray powder diffraction (HR-XRPD) data will be collected and subsequently analysed by the Rietveld method and the Pair Distribution Function (PDF) analysis. The present experiment will contribute to rationalise how the cationic substitutions affect the local and average structure of the Gd2Zr2O7 system, which is a promising host matrix for radionuclides disposal. In view of this technological application, Nd3+ and Ce4+ were selected as surrogates for Am3+ and Pu4+.
DOI: 10.15151/esrf-es-804828069
title: Effect of the electric depinning of an incommensurate CDW on the phonon spectrum probed by X-ray diffuse scattering experiments

description: The CDW state appears in the diffraction pattern as an incommensurate modulation of the lattice, the wavevector of the modulation is related to the Fermi wavevector of the condensed electrons, QIC~2kF. One of the goals of these proposals is to solve a long-standing fundamental controversy, that goes back to the early days, on the means by which the CDW state is created: either weak or strong electron-phonon coupling. A key point in this controversy is how the CDW is pinned to the lattice, and therefore experiments under an applied electric field are mandatory. IXS experiments are in principle feasible but are time consuming and, in view of our past experience, it is very unlikely that they can be of much help in this task [HC-4045]. An alternative approach that we would like to explore in this proposal is the study of the intensity of the diffuse scattering under an applied electric field through the threshold value and at different temperatures.
DOI: 10.34740/kaggle/dsv/3822823
title: Contrastive Language Image Pretraining by openai
DOI: 10.5281/zenodo.6468191
title: Law Smells (Data)

description: Data to replicate the results from the paper: "Law Smells: Defining and Detecting Problematic Patterns in Legal Drafting", Artificial Intelligence and Law 2022.
DOI: 10.5281/zenodo.6468190
title: Law Smells (Data)

description: Data to replicate the results from the paper: "Law Smells: Defining and Detecting Problematic Patterns in Legal Drafting", Artificial Intelligence and Law 2022.
DOI: 10.5281/zenodo.6658281
title: The Midlatitude Positive Bay index

description: The Midlatitude Positive Bay (MPB) index measures the strength of the substorm current wedge. Version 0.2 On some occasions, the MPB index shows sudden changes when some/one magnetometer co-rotates into/out of the nightside region. To solve this problem, a filter is designed so that the contributions from magnetometers near the dusk/dawn terminators are weighted. The weights smoothly change from 1.0 to 0.0 as the magnetometers co-rotate from nightside to dayside. The new MPB index is very close to the original MPB index, and the sudden changes disappeared. The updated MPB index and onset are calculated using magnetometers at midlatitudes in the nightside region (the method described in Chu et al. [2015]). Version 0.1 The Original MPB index and onset are calculated using magnetometers at midlatitudes in the nightside region (the method described in Chu et al. [2015]). The MPB index starts from 1991-01-01/00:00:00 and ends on 2019-12-31/23:59:00. Therefore, it has a 1-min resolution and has a total of 15252480. The unit of the MPB index is nT^2 instead of nT. So, you may want to use sqrt(MPB) instead of the raw MPB. A list of files: The original MPB index is in three formats: mpb_index.mat mpb_index.sav mpb_index.txt. The text file has xMPB, yMPB, and MPB. MPB = xMPB + yMPB. The xMPB and yMPB are the contributions of the H (northward) and D (eastward) components from different stations. The original onset files: onset.mat onset.txt The onset file has substorm onset, peak time, end time, and MPB peak values. <br> <br> <br>
description: {"references": ["Chu, X., McPherron, R. L., Hsu, T.\u2010S., and Angelopoulos, V. (2015), Solar cycle dependence of substorm occurrence and duration: Implications for onset. *J. Geophys. Res. Space Physics*, 120, 2808\u2013 2818, doi: [10.1002/2015JA021104](https://doi.org/10.1002/2015JA021104).", "McPherron, R. L., & Chu, X. (2016). Relation of the auroral substorm to the substorm current wedge. Geoscience Letters, 3(1), 1\u201310. https://doi.org/10.1186/s40562-016-0044-5", "McPherron, R.L., Chu, X. The Mid-Latitude Positive Bay and the MPB Index of Substorm Activity. Space Sci Rev 206, 91\u2013122 (2017). https://doi.org/10.1007/s11214-016-0316-6", "McPherron, R. L. and X. Chu (2017), The Mid-Latitude Positive Bay and the MPB Index of Substorm Activity, Space Sci Rev (2017) 206:91\u2013122, DOI 10.1007/s11214-016-0316-6", "McPherron, R. L., & Chu, X. (2018). The midlatitude positive bay index and the statistics of substorm occurrence. Journal of Geophysical Research: Space Physics, 123, 2831\u2013 2850. https://doi.org/10.1002/2017JA024766"]}
DOI: 10.5281/zenodo.4748052
title: The Midlatitude Positive Bay index

description: The Midlatitude Positive Bay (MPB) index measures the strength of the substorm current wedge. Version 0.2 On some occasions, the MPB index shows sudden changes when some/one magnetometer co-rotates into/out of the nightside region. To solve this problem, a filter is designed so that the contributions from magnetometers near the dusk/dawn terminators are weighted. The weights smoothly change from 1.0 to 0.0 as the magnetometers co-rotate from nightside to dayside. The new MPB index is very close to the original MPB index, and the sudden changes disappeared. The updated MPB index and onset are calculated using magnetometers at midlatitudes in the nightside region (the method described in Chu et al. [2015]). Version 0.1 The Original MPB index and onset are calculated using magnetometers at midlatitudes in the nightside region (the method described in Chu et al. [2015]). The MPB index starts from 1991-01-01/00:00:00 and ends on 2019-12-31/23:59:00. Therefore, it has a 1-min resolution and has a total of 15252480. The unit of the MPB index is nT^2 instead of nT. So, you may want to use sqrt(MPB) instead of the raw MPB. A list of files: The original MPB index is in three formats: mpb_index.mat mpb_index.sav mpb_index.txt. The text file has xMPB, yMPB, and MPB. MPB = xMPB + yMPB. The xMPB and yMPB are the contributions of the H (northward) and D (eastward) components from different stations. The original onset files: onset.mat onset.txt The onset file has substorm onset, peak time, end time, and MPB peak values. <br> <br> <br>
description: {"references": ["Chu, X., McPherron, R. L., Hsu, T.\u2010S., and Angelopoulos, V. (2015), Solar cycle dependence of substorm occurrence and duration: Implications for onset. *J. Geophys. Res. Space Physics*, 120, 2808\u2013 2818, doi: [10.1002/2015JA021104](https://doi.org/10.1002/2015JA021104).", "McPherron, R. L., & Chu, X. (2016). Relation of the auroral substorm to the substorm current wedge. Geoscience Letters, 3(1), 1\u201310. https://doi.org/10.1186/s40562-016-0044-5", "McPherron, R.L., Chu, X. The Mid-Latitude Positive Bay and the MPB Index of Substorm Activity. Space Sci Rev 206, 91\u2013122 (2017). https://doi.org/10.1007/s11214-016-0316-6", "McPherron, R. L. and X. Chu (2017), The Mid-Latitude Positive Bay and the MPB Index of Substorm Activity, Space Sci Rev (2017) 206:91\u2013122, DOI 10.1007/s11214-016-0316-6", "McPherron, R. L., & Chu, X. (2018). The midlatitude positive bay index and the statistics of substorm occurrence. Journal of Geophysical Research: Space Physics, 123, 2831\u2013 2850. https://doi.org/10.1002/2017JA024766"]}
DOI: 10.34740/kaggle/ds/2173090
title: Simargl2022
DOI: 10.6084/m9.figshare.19583446
title: Mungbean(Vigna radiata) genome assembly and population resequencing

description: Mungbean is an economically important legume crop used as food, vegetable,ingredients and even medicine. To explore the genome diversity, we assembled a high-quality reference genome(Jilv 7) and pan-genome for mungbean by deeply sequencing a high yield variety and 217 accessions. Important agronomic traits, such as yield components, grain composition, morphology and insect resistance, were observed for these accessions and associated with their genome sequences. Significant SNPs and candidate genes were identified for almost all traits. These results would build a solid foundation for genomic breeding in mungbean.
DOI: 10.6084/m9.figshare.20097392
title: Machine-Learning-Based Fine Tuning of Input Signals for Mechano-Tactile Display

description: "Encoded Surfaces.zip" contains raw data of piezoelectric sensor output in the encoding of the surfaces. <br> "input_signals_deduced_from_EP_and_ML.zip" contains the input signals for the mechano-tactile-display that were deduced from the encoding-and-presentation and machine-learning approaches (see Figure 5). <br> "Perception test results (EP)" show the participants' answers to the encoded-and-presented surfaces, which were used form machine-learning. <br> "Perception test results (ML)" show the participants' answers to the machine-learned surfaces.
DOI: 10.15151/esrf-es-819057001
title: Structure of 50S precursor bound methyltrasferase

description: Ribosomal methylation is an important modification that is integral for ribosomal biogenesis and serves as a common arsenal utilized by pathogenic bacteria to confer antibiotic resistance. Target alteration can result from the spontaneous mutation of a bacterial gene or can be mediated via modifying enzymes. For example Erythromycin resistance methyltransferases (Erms) specifically mono/dimethylates the 23S ribosomal RNA (rRNA). Methylation of the target site by Erms helps the pathogens to develop resistance to several classes of drug moieties. The target base, A2058, is buried deep inside the rRNA scaffold in the mature 50S ribosomal subunit and remains inaccessible to Erms. Deciphering the structure of 50S precursor-Erm complex would help in delineating the targeting mechanism of methyltransferase. in a ribosomal setting. Understanding the targeting determinants can be exploited towards the design of drugs in order to reverse the onset of resistance.
DOI: 10.6084/m9.figshare.20097406
title: Tannins from cashew tree (Anacardium occidentale) bark as a flocculant for water clarification

description: Abstract Concern about the overexploitation of natural resources has increased in recent decades, especially involving water and its treatment. Paradoxically, one of the sources of water pollution is the treatment itself, due to the use of chemical flocculants, which end up generating sludge that may be highly aggressive to the environment. One of the ways to solve this problem is to use natural flocculants for this purpose, since they are biodegradable and do not harm nature. This study evaluated the efficiency of a natural flocculant produced from tannins extracted from the bark of the cashew tree (Anacardium occidentale) and compared it with two commercial coagulants, Tanfloc® and iron chloride. The water for treatment was collected from a weir. The cashew trees’ bark was collected, ground, and submitted to hot-water extraction to yield the tannins, and the extraction product was cationized. The flocculation tests were carried out using the jar test with solutions having concentrations of 33.3, 66.7, and 100 mg L-1. Turbidity and pH were analyzed before and after flocculation. Among the assessed flocculants, the cationized tannins produced the best responses both for removal of turbidity and final pH of the treated water. Tanfloc® also produced satisfactory results regarding turbidity removal. The iron chloride, besides not properly clarifying the water, left it very acidic. Since the cationized tannins practically did not change the pH and were effective in the removal of turbidity, they represent an interesting, sustainable alternative product to treat the water.
DOI: 10.6084/m9.figshare.20097406.v1
title: Tannins from cashew tree (Anacardium occidentale) bark as a flocculant for water clarification

description: Abstract Concern about the overexploitation of natural resources has increased in recent decades, especially involving water and its treatment. Paradoxically, one of the sources of water pollution is the treatment itself, due to the use of chemical flocculants, which end up generating sludge that may be highly aggressive to the environment. One of the ways to solve this problem is to use natural flocculants for this purpose, since they are biodegradable and do not harm nature. This study evaluated the efficiency of a natural flocculant produced from tannins extracted from the bark of the cashew tree (Anacardium occidentale) and compared it with two commercial coagulants, Tanfloc® and iron chloride. The water for treatment was collected from a weir. The cashew trees’ bark was collected, ground, and submitted to hot-water extraction to yield the tannins, and the extraction product was cationized. The flocculation tests were carried out using the jar test with solutions having concentrations of 33.3, 66.7, and 100 mg L-1. Turbidity and pH were analyzed before and after flocculation. Among the assessed flocculants, the cationized tannins produced the best responses both for removal of turbidity and final pH of the treated water. Tanfloc® also produced satisfactory results regarding turbidity removal. The iron chloride, besides not properly clarifying the water, left it very acidic. Since the cationized tannins practically did not change the pH and were effective in the removal of turbidity, they represent an interesting, sustainable alternative product to treat the water.
DOI: 10.6084/m9.figshare.20097407
title: Unveiling the Bacterial Sesquiterpenome of Streptomyces sp. CBMAI 2042 Discloses Cyclases with Versatile Performances

description: Terpenes are the most abundant class of natural product that exist in nature. They possess a myriad of industrial applications including pharmaceutical, perfumery and flavors, bulk chemicals, and fuel. Intriguingly, until today, the vast majority of characterized terpenoids have been isolated from plants and fungi, and only in recent years bacteria were found to generate a representative reservoir of terpenoids molecules. Mining Streptomyces sp. CBMAI 2042 genome data has revealed the presence of five terpene cyclase genes. Chemical analysis of mycelium extract of this bacteria strain has unveiled at least 28 volatile terpenes molecules, where three encoding sesquiterpene cyclase (STC) genes are apparently responsible for their biosynthesis. The cyclic products obtained by incubation of these three purified recombinant STCs with farnesyl diphosphate (FPP) were analyzed by gas chromatography-mass spectrometry (GC-MS) and identified using the Van den Dool and Kratz equation.
DOI: 10.6084/m9.figshare.20097407.v1
title: Unveiling the Bacterial Sesquiterpenome of Streptomyces sp. CBMAI 2042 Discloses Cyclases with Versatile Performances

description: Terpenes are the most abundant class of natural product that exist in nature. They possess a myriad of industrial applications including pharmaceutical, perfumery and flavors, bulk chemicals, and fuel. Intriguingly, until today, the vast majority of characterized terpenoids have been isolated from plants and fungi, and only in recent years bacteria were found to generate a representative reservoir of terpenoids molecules. Mining Streptomyces sp. CBMAI 2042 genome data has revealed the presence of five terpene cyclase genes. Chemical analysis of mycelium extract of this bacteria strain has unveiled at least 28 volatile terpenes molecules, where three encoding sesquiterpene cyclase (STC) genes are apparently responsible for their biosynthesis. The cyclic products obtained by incubation of these three purified recombinant STCs with farnesyl diphosphate (FPP) were analyzed by gas chromatography-mass spectrometry (GC-MS) and identified using the Van den Dool and Kratz equation.
DOI: 10.6084/m9.figshare.20097409
title: IMMUNOHISTOCHEMICAL DETECTION OF L CELLS IN GASTROINTESTINAL TRACT MUCOSA OF PATIENTS AFTER SURGICAL TREATMENT FOR CONTROL OF TYPE 2 DIABETES MELLITUS

description: ABSTRACT - BACKGROUND: Type 2 diabetes mellitus (T2DM) is a disease of global impact that has led to an increase in comorbidities and mortality in several countries. Immunoexpression of the incretin hormones such as glucagon-like peptide-1 (GLP-1) and peptide YY (3-36) (PYY3-36) can be used as a scorer in the gastrointestinal tract to analyze L-cell activity in response to T2DM treatment. OBJECTIVE: This study aimed to investigate the presence, location, and secretion of L cells in the small intestine of patients undergoing the form of bariatric surgery denominated adaptive gastroenteromentectomy with partial bipartition. METHODS: Immunohistochemical assays, quantitative real-time polymerase chain reaction (qPCR), and Western blot analysis were performed on samples of intestinal mucosa from patients with T2DM in both the preoperative and postoperative periods. RESULTS: All results were consistent and indicated basal expression and secretion of GLP-1 and PYY3-36 incretins by L cells. A greater density of cells was demonstrated in the most distal portions of the small intestine. No significant difference was found between GLP-1 and PYY3-36 expression levels in the preoperative and postoperative periods because of prolonged fasting during which the samples were collected. CONCLUSION: The greater number of L cells in activity implies better peptide signaling, response, and functioning of the neuroendocrine system.
DOI: 10.6084/m9.figshare.20097409.v1
title: IMMUNOHISTOCHEMICAL DETECTION OF L CELLS IN GASTROINTESTINAL TRACT MUCOSA OF PATIENTS AFTER SURGICAL TREATMENT FOR CONTROL OF TYPE 2 DIABETES MELLITUS

description: ABSTRACT - BACKGROUND: Type 2 diabetes mellitus (T2DM) is a disease of global impact that has led to an increase in comorbidities and mortality in several countries. Immunoexpression of the incretin hormones such as glucagon-like peptide-1 (GLP-1) and peptide YY (3-36) (PYY3-36) can be used as a scorer in the gastrointestinal tract to analyze L-cell activity in response to T2DM treatment. OBJECTIVE: This study aimed to investigate the presence, location, and secretion of L cells in the small intestine of patients undergoing the form of bariatric surgery denominated adaptive gastroenteromentectomy with partial bipartition. METHODS: Immunohistochemical assays, quantitative real-time polymerase chain reaction (qPCR), and Western blot analysis were performed on samples of intestinal mucosa from patients with T2DM in both the preoperative and postoperative periods. RESULTS: All results were consistent and indicated basal expression and secretion of GLP-1 and PYY3-36 incretins by L cells. A greater density of cells was demonstrated in the most distal portions of the small intestine. No significant difference was found between GLP-1 and PYY3-36 expression levels in the preoperative and postoperative periods because of prolonged fasting during which the samples were collected. CONCLUSION: The greater number of L cells in activity implies better peptide signaling, response, and functioning of the neuroendocrine system.