cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc1p0371
title: CCDC 1549232: Experimental Crystal Structure Determination

description: Related Article: Craig C. McLauchlan, Jan Florián, Daniel S. Kissel, Albert W. Herlinger|2017|Inorg.Chem.|56|3556|doi:10.1021/acs.inorgchem.6b03137
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: 10.5517/ccdc.csd.cc1p0382
title: CCDC 1549233: Experimental Crystal Structure Determination

description: Related Article: Saravanakumar Manickam, Umamahesh Balijapalli, Kulathu Iyer Sathiyanarayanan|2018|New J.Chem.|42|860|doi:10.1039/C7NJ03654J
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: 10.5517/ccdc.csd.cc1ky2sc
title: CCDC 1457923: Experimental Crystal Structure Determination

description: Related Article: Stefan C. Meier, Albina Holz, Alexei Schmidt, Daniel Kratzert, Daniel Himmel, Ingo Krossing|2017|Chem.-Eur.J.|23|14658|doi:10.1002/chem.201703589
description: Related Article: Stefan C. Meier,  Daniel Himmel,  Ingo Krossing|2018|Chem.-Eur.J.|24|19348|doi:10.1002/chem.201804546
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: 10.5517/ccdc.csd.cc1p0393
title: CCDC 1549234: Experimental Crystal Structure Determination

description: Related Article: Saravanakumar Manickam, Umamahesh Balijapalli, Kulathu Iyer Sathiyanarayanan|2018|New J.Chem.|42|860|doi:10.1039/C7NJ03654J
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: 10.48577/jpl.uzckdg
title: Cosmic cascades: How disk substructure regulates the flow of water to inner planetary systems

description: The influx of icy pebbles to the inner regions of protoplanetary disks constitutes a fundamental ingredient in most planet formation theories. The observational determination of the magnitude of this pebble flux and its dependence on disk substructure (disk gaps as pebble traps) would be a significant step forward. In this work we analyze a sample of 21 T Tauri disks (ages between 0.5−2 Myr) with JWST/MIRI spectra homogeneously reduced with the JDISCS pipeline and high-angular-resolution ALMA continuum data. We find that the 1500/6000 K water line flux ratio measured with JWST (a tracer of cold water vapor and pebble drift near the snowline) correlates with the position of the innermost dust gap in ALMA continuum observations (ranging from 8.7 to 69 au), confirming predictions from recent models that study connections between the inner and outer disk reservoirs. We develop a population synthesis exploration of pebble drift in gapped disks and find a good match to the observed trends for early and relatively effective gaps, while scenarios where pebble drift happens quickly, gaps are very leaky, or where gaps form late are disfavored. Inferred snowline pebble mass fluxes (ranging between 10−6 and 10−3 M⊕/yr depending on gap position) are comparable to fluxes used in pebble accretion studies and those proposed for the inner Solar System, while system-to-system variations suggest differences in the emerging planetary system architectures and water budgets.
DOI: 10.5517/ccdc.csd.cc1nj3mx
title: CCDC 1534829: Experimental Crystal Structure Determination

description: Related Article: Estitxu Echenique-Errandonea, Itziar Oyarzabal, Javier Cepeda, Eider San Sebastian, Antonio Rodriguez-Dieguez, Jose Manuel Seco|2017|New J.Chem.|41|5467|doi:10.1039/C7NJ00794A
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: 10.5517/ccdc.csd.cc1nj3ny
title: CCDC 1534830: Experimental Crystal Structure Determination

description: Related Article: Estitxu Echenique-Errandonea, Itziar Oyarzabal, Javier Cepeda, Eider San Sebastian, Antonio Rodriguez-Dieguez, Jose Manuel Seco|2017|New J.Chem.|41|5467|doi:10.1039/C7NJ00794A
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: 10.5517/ccdc.csd.cc1p0573
title: CCDC 1549294: Experimental Crystal Structure Determination

description: Related Article: P.Sen, S.Z.Yildiz, S.D.Kanmazalp, N.Dege|2018|Makrogeterocikly|11|293|doi:10.6060/mhc180172s
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: 10.5517/ccdc.csd.cc1p03b4
title: CCDC 1549235: Experimental Crystal Structure Determination

description: Related Article: Pinar Sen, Göknur Yasa Atmaca, Ali Erdogmus, Sibel Demir Kanmazalp, Necmi Dege, S. Zeki Yildiz|2018|J.Lumin.|194|123|doi:10.1016/j.jlumin.2017.10.022
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: 10.5517/ccdc.csd.cc1p03f7
title: CCDC 1549238: Experimental Crystal Structure Determination

description: Related Article: Yuling Xu, Shanshan Mao, Kesheng Shen, Xinkui Shi, Huilu Wu, Xia  Tang|2018|Inorg.Chim.Acta|471|17|doi:10.1016/j.ica.2017.10.023
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: 10.48577/jpl.sx53aq
title: The Far-Infrared Enhanced Survey Spectrometer (FIRESS) for PRIMA: Science Drivers

description: The Astro2020 Decadal Survey recommended a new line of astrophysics observatories intermediate in scale between MIDEXs and Flagship-class observatories. In response, NASA created the Astrophysics Probe Explorer class and solicited proposals for the first generation of Probes. With a larger cost cap, Probes can achieve more ambitious science than SMEXs or MIDEXs and be implemented faster than Flagships – as frequently as one per decade. The PRobe far-Infrared Mission for Astrophysics (PRIMA) is one of two Probe concepts selected by NASA for a concept study in 2024/2025, potentially leading to implementation and launch as early as 2031. PRIMA was designed for a broad range of astrophysics, from how planets assemble their atmospheres, to the coevolution of galaxies and black holes, to the evolving properties of dust and galactic metallicity over cosmic time. Seventy-five percent of PRIMA’s observing time will be allocated to guest observer observations and 25% allocated to principal investigator science; however, the principal investigator science data will be available promptly for guest investigator usage. The observatory features a 1.8 m telescope cooled to 4.5 K with two science instruments: the Far-InfraRed Enhanced Survey Spectrometer (FIRESS) and the PRIMA imager (PRIMAger). FIRESS provides continuous spectral coverage from 24 to 235 µm, in two spectral resolution modes (R ≥ 85 and R = 4, 400(112µm/λ)), with spectral mapping capability and order-of-magnitude sensitivity improvement over previous observatories. PRIMAger delivers similar sensitivity advances and first-of-its-kind far-infrared hyperspectral imaging (R ∼ 8) from 25 to 84 µm, and polarimetry in four 1 broadband filters from 80 to 261 µm. PRIMA’s science and technical motivation is outlined, its overall architecture is described, and its cryogenic payload and instruments, including the kinetic inductance detector arrays, and operations and observing modes, are summarized.
DOI: 10.5517/ccdc.csd.cc1p03h9
title: CCDC 1549240: Experimental Crystal Structure Determination

description: Related Article: Yuling Xu, Shanshan Mao, Kesheng Shen, Xinkui Shi, Huilu Wu, Xia  Tang|2018|Inorg.Chim.Acta|471|17|doi:10.1016/j.ica.2017.10.023
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: 10.48577/jpl.mizq4o
title: Characterising the multiple protostellar system VLA 1623−2417 with JWST, ALMA and VLA: outflow origins, dust growth and an unsettled disk

description: Utilising JWST, ALMA and the VLA we present high angular resolution (0. ′′06–0. ′′ 42), multi wavelength (4 µm–3 cm) observations of the VLA 1623-2417 protostellar system to characterise the origin, morphology and, properties of the continuum emission. JWST observations at 4.4 µm reveal outflow cavities for VLA 1623 A and, for the first time, VLA 1623 B, as well as scattered light from the upper layers of the VLA 1623 W disk. We model the millimetre-centimetre spectral energy distribu33 tions to quantify the relative contributions of dust and ionised gas emission, calculate dust masses, and use spectral index maps to determine where optical depth hinders this analysis. In general, all objects appear to be optically thick down to ∼90 GHz, show evidence for significant amounts (10’s–100’s M⊕) of large (&gt; 1 mm) dust grains, and are dominated by ionised gas emission for frequencies ≲ 15 GHz. In addition, we find evidence of unsettled millimetre dust in the inclined disk of VLA 1623 B possibly attributed to instabilities within the circumstellar disk, adding to the growing catalogue of unsettled Class 0/I disks. Our results represent some of the highest resolution observations possible with current instrumentation, particularly in the case of the VLA. However, our interpretation is still limited at low frequencies (≲ 22 GHz) and thus motivates the need for next-generation interferometers operating at centimetre wavelengths.
DOI: 10.48577/jpl.nvmtwv
title: Robust Visual Localization in Compute-Constrained Environments by Salient Edge Rendering and Weighted Hamming Similarity

description: We consider the problem of vision-based 6-DoF object pose estimation in the context of the notional Mars Sample Return campaign, in which a robotic arm would need to localize multiple objects of interest for low-clearance pickup and insertion, under severely constrained hardware. We propose a novel localization algorithm leveraging a custom renderer together with a novel template matching metric tailored to the edge domain to achieve robust pose estimation using only low-fidelity, textureless 3D models as inputs. Extensive evaluations on synthetic datasets as well as from physical testbeds on Earth and in situ Mars imagery shows that our method consistently beats the state of the art in terms of robustness and accuracy, while never proposing critically inaccurate false positives, in turn enabling new possibilities for cheap and reliable localization on general-purpose hardware.
DOI: 10.5517/ccdc.csd.cc1p03jb
title: CCDC 1549241: Experimental Crystal Structure Determination

description: Related Article: Jie Qiu, Sining Dong, Jennifer E. S. Szymanowski, Malgorzata Dobrowolska, Peter C. Burns|2017|Inorg.Chem.|56|3738|doi:10.1021/acs.inorgchem.7b00389
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: 10.5517/ccdc.csd.cc1p03kc
title: CCDC 1549242: Experimental Crystal Structure Determination

description: Related Article: Wenchao Li, Jingjian Liu, Minghua Fan, Zhongtang Li, Yin Chen, Guisen Zhang, Zhuo Huang, Liangren Zhang|2018|Molecules|23|996|doi:10.3390/molecules23050996
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: 10.5517/ccdc.csd.cc1p03mf
title: CCDC 1549244: Experimental Crystal Structure Determination

description: Related Article: Akitaka Ito, Nozomi Kobayashi, Yoshio Teki|2017|Inorg.Chem.|56|3794|doi:10.1021/acs.inorgchem.6b02470
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: 10.5517/ccdc.csd.cc1p03ng
title: CCDC 1549245: Experimental Crystal Structure Determination

description: Related Article: Nikolay V. Tkachenko, Oleg Y. Lyakin, Denis G. Samsonenko, Evgenii P. Talsi, Konstantin P. Bryliakov|2018|Catalysis Communications|104|112|doi:10.1016/j.catcom.2017.10.025
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: 10.5517/ccdc.csd.cc1p03ph
title: CCDC 1549246: Experimental Crystal Structure Determination

description: Related Article: Tadaharu Ueda, Keisuke Kodani, Hiromi Ota, Motoo Shiro, Si-Xuan Guo, John F. Boas, Alan M. Bond|2017|Inorg.Chem.|56|3990|doi:10.1021/acs.inorgchem.6b03046
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: 10.5517/ccdc.csd.cc1p03qj
title: CCDC 1549247: Experimental Crystal Structure Determination

description: Related Article: Tadaharu Ueda, Keisuke Kodani, Hiromi Ota, Motoo Shiro, Si-Xuan Guo, John F. Boas, Alan M. Bond|2017|Inorg.Chem.|56|3990|doi:10.1021/acs.inorgchem.6b03046
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: 10.5517/ccdc.csd.cc1p03sl
title: CCDC 1549249: Experimental Crystal Structure Determination

description: Related Article: Takashi Yoshimura, Masayuki Nakaguchi, Keisuke Morimoto|2017|Inorg.Chem.|56|4057|doi:10.1021/acs.inorgchem.6b03175
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: 10.48577/jpl.fjzdun
title: Transient ice ring observed during the 15 January 2022 Tonga eruption

description: The Hunga Tonga-Hunga Ha’apai (HTHH) eruption on 15 January 2022 was an exceptional event for many reasons; record breaking heights have been reported [1, 2], a significant amount of water was injected into the stratosphere [3] and wave disturbances from the surface to the ionosphere have been detected [4, 5]. Here we show that ∼2 h after the climactic eruption began, a transient ring of extremely small ice particles (∼2 μm) formed around the plume. We identify these parti- cles using the brightness temperature difference between two thermal infrared satellite measurements and find record positive values exceeding 50 K. We hypothesise that the ice ring was generated by the pas- sage of an atmospheric pressure wave (a Lamb wave) triggered by a violent explosion of the eruption. The passage of the Lamb wave pro- duced a rarefaction in the upper troposphere-lower stratosphere (UTLS), which in turn led to an adiabatic decrease in ambient temperature. This process reduced UTLS temperatures sufficiently for ambient water vapour to reach saturation with respect to ice, enabling the formation of ice particles in the wake of the radially propagating pressure wave. Our modelling suggests that a temperature drop of the order of 1 K below ambient temperatures and water vapour concentrations of ∼5– 6 ppmv near 100 hPa would be required to explain the formation of the small ice particles indicated by the satellite observations. This new phenomenon serves as an important natural experiment revealing the timescale upon which ice particles nucleate and grow via heterogeneous vapour deposition given an abrupt perturbation in ambient temperature.
DOI: 10.5517/ccdc.csd.cc1p03tm
title: CCDC 1549250: Experimental Crystal Structure Determination

description: Related Article: Takashi Yoshimura, Masayuki Nakaguchi, Keisuke Morimoto|2017|Inorg.Chem.|56|4057|doi:10.1021/acs.inorgchem.6b03175
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: 10.5517/ccdc.csd.cc1p03wp
title: CCDC 1549252: Experimental Crystal Structure Determination

description: Related Article: Qing-Miao Dong, Shuai Dong, Cheng Shen, Qing-Hao Cao, Ming-Yu Song, Qiu-Rui He, Xiao-Ling Wang, Xiao-Jun Yang, Jiang-Jiang Tang, Jin-Ming Gao|2018|Scientific Reports|8|8372|doi:10.1038/s41598-018-26747-0
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: 10.5517/ccdc.csd.cc1p03xq
title: CCDC 1549253: Experimental Crystal Structure Determination

description: Related Article: Qing-Miao Dong, Shuai Dong, Cheng Shen, Qing-Hao Cao, Ming-Yu Song, Qiu-Rui He, Xiao-Ling Wang, Xiao-Jun Yang, Jiang-Jiang Tang, Jin-Ming Gao|2018|Scientific Reports|8|8372|doi:10.1038/s41598-018-26747-0
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: 10.5517/ccdc.csd.cc1p03yr
title: CCDC 1549254: Experimental Crystal Structure Determination

description: Related Article: Yan Li, Rahul Kumar Siwatch, Totan Mondal, Yongxin Li, Rakesh Ganguly, Debasis Koley, Cheuk-Wai So|2017|Inorg.Chem.|56|4112|doi:10.1021/acs.inorgchem.7b00128
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: 10.48577/jpl.sylsgr
title: Expanding the Ice Inventory of NGC 1333 IRAS 2A with INDRA using JWST Observations: Tracing Organic Refractories and Beyond

description: In the era of JWST, with its unprecedented sensitivity and spectral resolution, infrared spectral surveys have revealed a rich inventory of ices, including complex organic molecules (COMs), in young stellar objects (YSOs). However, robust methods to decompose and quantify these absorption features particularly across broad spectral ranges, are still under investigation. We present INDRA (Ice-fitting with NNLS-based Decomposition and Retrieval Algorithm), a fully Python-based tool that performs continuum and silicate removal, global ice fitting using Weighted Non-Negative Least Squares (NNLS), and estimates column densities and statistical significance. We apply INDRA to NGC 1333 IRAS 2A, a target from the JWST Observations of Young protoStars (JOYS+) program previously studied using local fitting. We derive optical depths via polynomial continuum subtraction and remove silicate absorption using a synthetic model, isolating ice features for global MIRI fitting. Our results are consistent with previous local fits, confirming simple species and COMs, and expand the inventory by identifying additional absorption features from CO2 and NH4+. We also propose the presence of organic refractories contributing up to 9.6% in the spectral region of ∼5–8 μm among the various ice components, whose inclusion significantly improves the global spectral fitting. These broad absorption features, extending across ∼5.5–11 μm, are likely produced by large, complex molecules containing carbonyl (C=O), hydroxyl (O–H), amine (N–H), and C–H bending modes. Our expanded inventory, now incorporating these organic residues, offers new insights into the chemical evolution of ices in star-forming regions and highlights the importance of global spectral fitting in constraining ice compositions.