cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.3670709
title: Xe···OCS: Relatively straightforward?

description: Supporting information archive for the theoretical and experimental investigation of the structure of the Xe···OCS weakly-bound dimer. First revised version. Contains: <strong>binding_energies.ods</strong>: a table of binding energies for the studied complexes, calculated using the Lennard-Jones model as well as supermolecular approach <strong>isotopologue_data.ods</strong>: a list of tables with experimental rotational constants, centrifugal distortion constants, inertial defetcs, and DFT-based vibrational corrections for each isotopologue of each complex <strong>experimental_v01.zip</strong>: an archive containing all SPFIT / Pickett files for the Xe···OCS complex, as well as all CONVC files for the other complexes <strong>calculations_v03.zip</strong>: an archive with all <em>ab initio<strong> </strong></em>calculations used in this study, including CFOUR, Gaussian and Psi4 data <strong>structures_v02.zip</strong>: an archive of STRFIT input and output files as well as the r<sub>0</sub>, r<sub>e</sub><sup>SE</sup>, and r<sub>m</sub><sup>(2)</sup> structures in XYZ format. Changes from version 1.1: included further calculations judging relativistic effects in interaction energies of Xe and Hg···OCS included a folder with basis sets non-standard for Psi4
DOI: 10.25345/c5zq3k
title: MassIVE MSV000084966 - An Approach to Spatiotemporally Resolve Protein Interaction Networks in Living Cells - B2AR_DOR
title: SRM assays were generated for selected interactors of B2AR and DOR(MSV000084857), as well as for localization controls and ribosomal proteins (RPL18A, RPL28, RPL3, RPL35A, RPL6) as internal controls for normalization (Table S5 in publication). SRM assay generation was performed using Skyline. For all targeted proteins, proteotypic peptides and optimal transitions for identification and quantification were selected based on a spectral library generated from the shotgun MS experiments. The Skyline spectral library was used to extract optimal coordinates for the SRM assays, e.g., peptide fragments and peptide retention times. For each protein 1-4 peptides were selected based on intensity, peptide length as well as chromatographic performance. For each peptide the 4 best SRM transitions were selected based on intensity and peak shape. Digested peptide mixtures were analyzed by LC-SRM on a Thermo Scientific TSQ Quantiva MS system equipped with a Proxeon Easy nLC 1200 ultra high-pressure liquid chromatography and autosampler system. Samples were injected onto a C18 column (25 cm x 75 mm I.D. packed with ReproSil Pur C18 AQ 1.9 mm particles) in 0.1% formic acid and then separated with an 80 min gradient from 5% to 40% Buffer B (90% ACN/10% water/0.1% formic acid) at a flow rate of 300 nl/min. SRM acquisition was performed operating Q1 and Q3 at 0.7 unit mass resolution. For each peptide the best 4 transitions were monitored in a scheduled fashion with a retention time window of 4 min and a cycle time fixed to 2s. Argon was used as the collision gas at a nominal pressure of 1.5 mTorr. Collision energies were calculated by, CE = 0.0348 * (m/z) + 0.4551 and CE = 0.0271 * (m/z) + 1.5910 (CE, collision en- ergy and m/z, mass to charge ratio) for doubly and triply charged precursor ions, respectively. RF lens voltages were calculated by, RF= 0.1088 * (m/z) + 21.029 and RF= 0.1157 * (m/z) + 0.1157 (RF, RF lens voltage andm/z, mass to charge ratio) for doubly and triply charged precursor ions, respectively. SRM data were processed using Skyline. Protein significance analysis for the different time points was performed using MSstats. Normalization across samples was conducted based on selected global standard proteins (RPL18A, RPL28, RPL3, RPL35A, RPL6). Each protein was tested for abundance differences comparing DOR-APEX2 time points to the spatial references, PM-APEX2 and ENDO-APEX2. Proteins with an adjusted p-value &lt; 0.05 were considered significant.
DOI: 10.25345/c5tx1n
title: MassIVE MSV000084967 - An Approach to Spatiotemporally Resolve Protein Interaction Networks in Living Cells - B2AR_localization
title: SRM assays were generated for selected interactors of B2AR and DOR (MSV000084857), as well as for localization controls and ribosomal proteins (RPL18A, RPL28, RPL3, RPL35A, RPL6) as internal controls for normalization (Table S5 in publication). We selected localization markers for different cellular compartments and monitored them across the time points for B2AR and the spatial references (ENDO, CYTO, PM). The main goal of this experiment was to demonstrate that we can use the proximity labeling data to determine the localization of the receptor over the time course after receptor activation. SRM assay generation was performed using Skyline. For all targeted proteins, proteotypic peptides and optimal transitions for identification and quantification were selected based on a spectral library generated from the shotgun MS experiments. The Skyline spectral library was used to extract optimal coordinates for the SRM assays, e.g., peptide fragments and peptide retention times. For each protein 1-4 peptides were selected based on intensity, peptide length as well as chromatographic performance. For each peptide the 4 best SRM transitions were selected based on intensity and peak shape. Digested peptide mixtures were analyzed by LC-SRM on a Thermo Scientific TSQ Quantiva MS system equipped with a Proxeon Easy nLC 1200 ultra high-pressure liquid chromatography and autosampler system. Samples were injected onto a C18 column (25 cm x 75 mm I.D. packed with ReproSil Pur C18 AQ 1.9 mm particles) in 0.1% formic acid and then separated with an 80 min gradient from 5% to 40% Buffer B (90% ACN/10% water/0.1% formic acid) at a flow rate of 300 nl/min. SRM acquisition was performed operating Q1 and Q3 at 0.7 unit mass resolution. For each peptide the best 4 transitions were monitored in a scheduled fashion with a retention time window of 4 min and a cycle time fixed to 2s. Argon was used as the collision gas at a nominal pressure of 1.5 mTorr. Collision energies were calculated by, CE = 0.0348 * (m/z) + 0.4551 and CE = 0.0271 * (m/z) + 1.5910 (CE, collision energy and m/z, mass to charge ratio) for doubly and triply charged precursor ions, respectively. RF lens voltages were calculated by, RF= 0.1088 * (m/z) + 21.029 and RF= 0.1157 * (m/z) + 0.1157 (RF, RF lens voltage and m/z, mass to charge ratio) for doubly and triply charged precursor ions, respectively. SRM data were processed using Skyline. Protein significance analysis was performed using MSstats. Normalization across samples was conducted based on selected global standard proteins (RPL18A, RPL28, RPL3, RPL35A, RPL6). Each protein was tested for abundance differences comparing DOR-APEX2 time points to the spatial references, PM-APEX2 and ENDO-APEX2. Proteins with an adjusted p-value &lt; 0.05 were considered significant.
DOI: 10.5281/zenodo.3672182
title: All figures and tables for "Optimized approximate inverse Laplace transform for geo-deformation computation in viscoelastic earth model"

description: It is the data set of all figures and tables in the paper with title "Optimized approximate inverse Laplace transform for geo-deformation computation in viscoelastic earth model".
DOI: 10.5281/zenodo.3672195
title: Partial feild data of Tarmin desert, Xinjiang China

description: Because of desert geologic features, high-frequency signals and noise are absorbed by soft covering layer, low-frequency signals are mixed with the same frequency noise, and the seismic data characteristics are extremely complicatedBecause of desert geologic features, high-frequency signals and noise are absorbed by soft covering layer, low-frequency signals are mixed with the same frequency noise, and the seismic data characteristics are extremely complicated.
DOI: 10.5281/zenodo.3672194
title: Partial feild data of Tarmin desert, Xinjiang China

description: Because of desert geologic features, high-frequency signals and noise are absorbed by soft covering layer, low-frequency signals are mixed with the same frequency noise, and the seismic data characteristics are extremely complicatedBecause of desert geologic features, high-frequency signals and noise are absorbed by soft covering layer, low-frequency signals are mixed with the same frequency noise, and the seismic data characteristics are extremely complicated.
DOI: 10.21227/c0z2-dj24
title: Supplementary data for the manuscript titled "Reliable data collection in participatory trials to assess digital healthcare apps."

description: The dataset is raw data to validate methods for reliable data collection. We proposed the data collection methods in a path to assess digital healthcare apps. To validate the methods, we conducted experiments in Amazon Mechanical Turk(MTurk), and then we showed that the methods have a significant difference based on the statistical tests. Methods and tests are following; (1) Comparison to the simplicity of protocol creation on data preparation stage (2) Validation of data reliability weight comparing to manually collected data on data storage stage (3) Future reward distribution effect observation on data sharing stage. Each data set contains test information and raw data. Total participants were 718, and we excluded their worker ID, followed by a policy of Amazon. All participants signed on informed consent for the tests. Furthermore, KAIST IRB exempted the experiments.
DOI: 10.21227/j2kk-vj31
title: Supplementary data for the manuscript entitled “Reliable data collection in participatory trials to assess digital healthcare apps”

description: The dataset comprises raw data to validate methods for reliable data collection. We proposed the data collection methods in a path to assess digital healthcare apps. To validate the methods, we conducted experiments in Amazon Mechanical Turk (MTurk), and then we showed that the methods have a significant meaning based on statistical tests. The methods and tests are as follows: (1) comparison with the simplicity of protocol creation during the data preparation stage; (2) validation of data reliability weight compared with manually collected data during the data storage stage; and (3) the future reward distribution effect of observation during the data sharing stage. Each data set contains test information and raw data. The total number of participants was 718, and we excluded their worker ID, following by a policy by Amazon. All participants signed an informed consent document for the tests.
DOI: 10.5517/ccdc.csd.cc22ztsp
title: CCDC 1936253: Experimental Crystal Structure Determination

description: Related Article: Nina N. Chipanina, Larisa P. Oznobikhina, Irina V. Sterkhova, Anton S. Ganin, Bagrat A. Shainyan|2020|J.Mol.Struct.|1219|128534|doi:10.1016/j.molstruc.2020.128534
description: Related Article: Anton S. Ganin, Mikhail Yu. Moskalik, Vera V. Astakhova, Irina V. Sterkhova, Bagrat A. Shainyan|2020|Tetrahedron|76|131374|doi:10.1016/j.tet.2020.131374
DOI: 10.5517/ccdc.csd.cc233wdj
title: CCDC 1940147: Experimental Crystal Structure Determination

description: Related Article: Qing-Xia Xu, Wei Xu, Xiu-Wei Yang|2020|Tetrahedron|76|131343|doi:10.1016/j.tet.2020.131343
DOI: 10.5517/ccdc.csd.cc233wjn
title: CCDC 1940151: Experimental Crystal Structure Determination

description: Related Article: Qing-Xia Xu, Wei Xu, Xiu-Wei Yang|2020|Tetrahedron|76|131343|doi:10.1016/j.tet.2020.131343
DOI: 10.5517/ccdc.csd.cc23fm8g
title: CCDC 1949505: Experimental Crystal Structure Determination

description: Related Article: Cailing Yang|2019|CSD Communication|||
description: Related Article: Cailing Yang, Qingfeng Meng, Yao Zhang, Yun Hu, Shiji Xiao, Yuqian Zhang, Jianhua Ju, Shaobin Fu|2020|Tetrahedron|76|131356|doi:10.1016/j.tet.2020.131356
DOI: 10.5517/ccdc.csd.cc23fm9h
title: CCDC 1949506: Experimental Crystal Structure Determination

description: Related Article: Cailing Yang|2019|CSD Communication|||
description: Related Article: Cailing Yang, Qingfeng Meng, Yao Zhang, Yun Hu, Shiji Xiao, Yuqian Zhang, Jianhua Ju, Shaobin Fu|2020|Tetrahedron|76|131356|doi:10.1016/j.tet.2020.131356
DOI: 10.5517/ccdc.csd.cc23fmbj
title: CCDC 1949507: Experimental Crystal Structure Determination

description: Related Article: Cailing Yang|2019|CSD Communication|||
description: Related Article: Cailing Yang, Qingfeng Meng, Yao Zhang, Yun Hu, Shiji Xiao, Yuqian Zhang, Jianhua Ju, Shaobin Fu|2020|Tetrahedron|76|131356|doi:10.1016/j.tet.2020.131356
DOI: 10.5517/ccdc.csd.cc249k34
title: CCDC 1975385: Experimental Crystal Structure Determination

description: Related Article: Heng Zhang, Yinghua Yu, Xueliang Huang|2020|Org.Biomol.Chem.|18|5115|doi:10.1039/D0OB00978D
DOI: 10.5517/ccdc.csd.cc249k56
title: CCDC 1975387: Experimental Crystal Structure Determination

description: Related Article: Heng Zhang, Yinghua Yu, Xueliang Huang|2020|Org.Biomol.Chem.|18|5115|doi:10.1039/D0OB00978D
DOI: 10.5517/ccdc.csd.cc24dmls
title: CCDC 1978345: Experimental Crystal Structure Determination

description: Related Article: Heng Zhang, Yinghua Yu, Xueliang Huang|2020|Org.Biomol.Chem.|18|5115|doi:10.1039/D0OB00978D
DOI: 10.5517/ccdc.csd.cc24k8bb
title: CCDC 1982801: Experimental Crystal Structure Determination

description: Related Article: Alessandro Bismuto, Gary S. Nichol, Fernanda Duarte, Michael J. Cowley, Stephen P. Thomas|2020|Angew.Chem.,Int.Ed.|59|12731|doi:10.1002/anie.202003468
DOI: 10.6084/m9.figshare.11863782
title: Additional file 2 of mTOR may interact with PARP-1 to regulate visible light-induced parthanatos in photoreceptors

description: Additional file 1. Supplementary Materials and Methods
DOI: 10.6084/m9.figshare.11863782.v1
title: Additional file 2 of mTOR may interact with PARP-1 to regulate visible light-induced parthanatos in photoreceptors

description: Additional file 1. Supplementary Materials and Methods
DOI: 10.5517/ccdc.csd.cc24ns6t
title: CCDC 1986176: Experimental Crystal Structure Determination

description: Related Article: Soumya Mishra, Biswaranjan Paital, Himansu Sekhar Sahoo, Samar Gaurav Pati, Debakanta Tripathy, Niladri Bihari Debata|2020|Dalton Trans.|49|8850|doi:10.1039/D0DT00920B
DOI: 10.5517/ccdc.csd.cc24r97g
title: CCDC 1988595: Experimental Crystal Structure Determination

description: Related Article: Jin Cui, Naoya Kumagai, Takumi Watanabe, Masakatsu Shibasaki|2020|Chemical Science|11|7170|doi:10.1039/D0SC01914C
DOI: 10.25345/c5q69h
title: MassIVE MSV000084968 - Allosteric interactions in the parathyroid hormone class B GPCR arrestin complex formation
title: Peptide ligands of class B GPCRs act via a two step binding process, but many gaps remain in our understanding of the essential mechanisms that link the extracellular binding of peptide ligands to intracellular receptor arrestin interaction. Using NMR, crosslinking coupled to mass spectrometry, signaling experiments, and computational approaches on the parathyroid hormone (PTH) type 1 receptor (PTHR), we show that the initial binding of the PTH C terminal part to the receptor constrains the conformation of the flexible N terminal signaling epitope of the PTH before a second binding event takes place. A hot spot PTH residue, His9, that inserts into the transmembrane domain of the PTHR at this second step allosterically engages receptor and arrestin coupling. The mechanism appears to elicit a conformational change in the receptor intracellular loop 3 (ICL3) that permits favorable interactions with the b arrestin finger loop. These results unveil structural determinants for PTHR arrestin complex formation and reveal that the two step binding mechanism proceeds via cooperative fluctuations between the peptide ligand and the receptor, which may be extended to other class B GPCRs.
DOI: 10.14457/tu.the.2018.1423
title: Science teachers’ and learners’ attitudes toward content-based instruction: a case study of a bilingual primary school

description: This study attempted to explore Thai Primary students and science teachers’ attitudes toward Content-Based Instruction (CBI) which is applied in Science classrooms in a bilingual school case study. The participants were two foreign science teachers and two Thai science teachers who taught in Primary 3-5 level, together with 17 Thai Primary 3-5 level of students. The case study technique allowed the semi-structured interviews to elicit detailed information about science teachers’ and students’ attitudes toward CBI science classroom, which were separated into 6 categories: attitude toward content and language learning, attitude toward materials, attitude toward activities/tasks, attitude toward the teacher/students, attitude toward evaluation, and difficulties experienced, followed with suggestions. The data was analyzed qualitatively through the content analysis, while the instructional materials and relevant documents were also collected and analyzed in order to confirm the interview findings obtained. The results indicated that these primary science teachers and students had good attitudes toward the CBI in science classroom, with the reasons that students can acquire both subject content and the language skills, and apparently the CBI approach increased students’ confidence in speaking and gaining academic vocabulary. Moreover, the significant aspect of scaffolding by L1 instruction was perceived as useful and important from both the teacher and student attitudes. The teachers and students point out difficulties and make suggestions for the CBI science subject.
DOI: 10.14457/tu.the.2018.1424
title: SAT test result analysis (verbal section): a case study in a context of Thai students

description: This study aimed to investigate the question types in SAT verbal sections (redesigned version of 2015) that Thai students often wrongly answer and apply the results to the SAT verbal courses of a tutorial school since many students studying SAT courses obtain SAT verbal scores between 400-500 which does not meet the admission requirement of some faculties, especially those of leading universities in Thailand. The participants in this research study were 60 students studying in Grade 10 to 12, equally from Thai traditional schools and international schools, who had registered to join a SAT simulation test at the tutorial school. The research instrument includes the SAT test from Ivy Global and Cloud Ivy global, an online instrument for calculating SAT scores, to diagnose the test results. SAT question types in the verbal section were categorized according to the criteria of Ivy Global. Then, the average scores from each question type for each participant group were calculated. The study showed that students from both groups more often wrongly answered questions in the reading section than in the writing and language section. However, in writing and language section, students from Thai traditional schools had more wrongly answered questions in the part of expression of ideas than in the part of Standard English conventions. In terms of test result application, vocabulary teaching, well-designed materials, frequent test practice, and time management learning are strategies that can support the efficiency of SAT courses of the tutorial school.
DOI: 10.14457/tu.the.2018.1425
title: A semantic prosody and grammatical patterns analysis of near-synonym pair quit and stop in the COCA

description: This corpus-based study aimed to investigate the semantic prosodies and grammatical patterns of a near-synonym pair quit and stop, which were chosen from the academia vocabulary list. Longman and Cambridge online dictionaries were used as reference for meanings and grammatical patterns. Data in terms of collocations and concordance lines are obtained from Corpus of Contemporary American English (COCA). Both quit and stop were found to have neutral semantic prosodies through collocational behavior and contextual analysis. Despite sharing core meanings, the grammatical patterns of quit and stop cannot be completely shared or used interchangeably in all contexts since passive structure, past participle, phrasal verbs, base form as a noun, adjective + noun, and conditional present do not exist for quit but only for stop.
DOI: 10.14457/tu.the.2018.1426
title: A corpus-based study of English zoology academic word lists

description: This study aimed to (1) generate the common vocabulary used in zoology research articles and identify their frequencies and (2) validate the word lists by zoology experts. The Zoology Research Articles Corpus (ZRAC) was compiled from 268 Zoology research articles published during January 2016 – February 2019 from the International Journals of Zoology by Zoological society of London. The ZRAC consists of 1,530,384 words. The AntWordProfiler (1.4.0) software was used to analyze the frequency of the words. The results revealed that there are 504 high frequency content words. Later, seven university lecturers teaching zoology were asked to clarify the specification of the words in the field of zoology. After the validation process, 218 words (43.25%) were removed from the list which was then categorized into word families. The word lists were generated using the Coxhead's range and word frequency criteria called the Zoology Academic Word Lists (ZAWL). The ZAWL aims to assist undergraduate and graduate students in their preparation for zoology related fields with essential words for the reading and writing of research papers. Additionally, ZAWL can be applied in vocabulary pedagogy for zoology lecturers in selecting appropriate vocabulary to teach undergraduate and graduate classes.
DOI: 10.14457/tu.the.2018.1427
title: A corpus-based wordlist of grade-12 English O-NET examinations

description: This study aimed to gather the most frequent content words occurring in the grade 12 O-NET examination of English subjects and to compare the proportion of word families in General Service List (GSL) and Academic Word List (AWL) in ONET Word List (OWL). 10 grade 12 O-NET examinations in English subject were compiled to create the O-NET Examination Corpus. Coxhead’s frequency criterion for Academic Word List was applied to word selecting criteria of the O-NET Word List. Every word family occurring 5 and more than 5 times from 10 examinations were included in the wordlist. The software called AntWordProfiler was used to analyze and generate the O-NET Word List. After excluding the function words, 419 word families were displayed on the OWL. The results revealed that 81.62 percent of the OWL’s word families belonged to 1st 1,000 of GSL, 12.89 percent of word families belonged to 2nd 1,000 of GSL, 4.30 percent were AWL, and the other 1.19 percent did not belong to previous wordlist. O-NET Word List was created to help both students and teachers for O-NET examinations. Students can learn and study many important words from it. While teachers can decide which sets of vocabulary that they should focus and introduce to students to improve their lesson. Besides, OWL is a great tool for building the basic foundation of English vocabulary for every EFL learners
DOI: 10.14457/tu.the.2018.1428
title: Effects of phonics instruction on reading ability of young Thai learners

description: The study aimed to investigate effects of phonics instruction on reading ability of young Thai learners and identify the challenges that they encounter during their reading process. Six participants in this study were selected with convenience sampling technique. They took a pretest to measure their phoneme identification and phoneme segmentation, prior to a 9 hour intervention through phonics instruction. They did a posttest on both measures immediately after the intervention. In addition, they were observed by the researcher to document their development and performance during reading instruction and classroom practice to discover challenges in their reading process. Results showed that phonics instruction positively affects young learners’ reading ability. The findings also revealed challenges that emerged as part of the study influenced the process of reading such as alphabetic knowledge, motivation and strategies including the students’ behaviours.