cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2g8755
title: CCDC 2272026: Experimental Crystal Structure Determination

description: Related Article: Albert D. Campbell Junior, Kaia Ellis, Lyric K. Gordon, Janiyah E. Riley, VuongVy Le, Kimberly K. Hollister, Stephen O. Ajagbe, Samer Gozem, Robert B. Hughley, Adeline M. Boswell, Ophelia Adjei-sah, Prioska D. Baruah, Ra’Nya Malone, Logan M. Whitt, Robert J. Gilliard Junior, Carl Jacky Saint-Louis|2023|CSD Communication|||
description: Related Article: Albert D. Campbell, Kaia Ellis, Lyric K. Gordon, Janiyah E. Riley, VuongVy Le, Kimberly K. Hollister, Stephen O. Ajagbe, Samer Gozem, Robert B. Hughley, Adeline M. Boswell, Ophelia Adjei-sah, Prioska D. Baruah, Ra’Nya Malone, Logan M. Whitt, Robert J. Gilliard, Carl Jacky Saint-Louis|2023|J.Mater.Chem.C|11|13740|doi:10.1039/D3TC03278G
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.cc2g88yz
title: CCDC 2272081: Experimental Crystal Structure Determination

description: Related Article: Arshad Khan, Ibraheem Bushnak, Zhouyu Jiang, Rabia Usman, Prafulla B. Choudhari, Chao Feng, Rabih O. Al-Kaysi, Faiz-Ur-Rahman|2024|J.Mol.Struct.|1298|137034|doi:10.1016/j.molstruc.2023.137034
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.cc2g9w4t
title: CCDC 2273606: Experimental Crystal Structure Determination

description: Related Article: Sam Forshaw, Jeremy S. Parker, William T. Scott, Richard C. Knighton, Neelam Tiwari, Samson M. Oladeji, Andrew C. Stevens, Yean Ming Chew, Jami Reber, Guy J. Clarkson, Mohan K. Balasubramanian, Martin Wills|2024|Org.Biomol.Chem.|22|590|doi:10.1039/D3OB01712E
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.cc2g9w5v
title: CCDC 2273607: Experimental Crystal Structure Determination

description: Related Article: Sam Forshaw, Jeremy S. Parker, William T. Scott, Richard C. Knighton, Neelam Tiwari, Samson M. Oladeji, Andrew C. Stevens, Yean Ming Chew, Jami Reber, Guy J. Clarkson, Mohan K. Balasubramanian, Martin Wills|2024|Org.Biomol.Chem.|22|590|doi:10.1039/D3OB01712E
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.cc2g9w6w
title: CCDC 2273608: Experimental Crystal Structure Determination

description: Related Article: Sam Forshaw, Jeremy S. Parker, William T. Scott, Richard C. Knighton, Neelam Tiwari, Samson M. Oladeji, Andrew C. Stevens, Yean Ming Chew, Jami Reber, Guy J. Clarkson, Mohan K. Balasubramanian, Martin Wills|2024|Org.Biomol.Chem.|22|590|doi:10.1039/D3OB01712E
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.cc2g9w7x
title: CCDC 2273609: Experimental Crystal Structure Determination

description: Related Article: Sam Forshaw, Jeremy S. Parker, William T. Scott, Richard C. Knighton, Neelam Tiwari, Samson M. Oladeji, Andrew C. Stevens, Yean Ming Chew, Jami Reber, Guy J. Clarkson, Mohan K. Balasubramanian, Martin Wills|2024|Org.Biomol.Chem.|22|590|doi:10.1039/D3OB01712E
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.cc2gfrk7
title: CCDC 2277339: Experimental Crystal Structure Determination

description: Related Article: Gurjaspreet Singh, Pooja Malik, Pawan, Mohit, Anita Devi, Sofia Gupta, Tamana, Akshpreet Singh, K.N. Singh|2024|J.Mol.Struct.|1297|136916|doi:10.1016/j.molstruc.2023.136916
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.cc2gfrl8
title: CCDC 2277340: Experimental Crystal Structure Determination

description: Related Article: Gurjaspreet Singh, Pooja Malik, Pawan, Mohit, Anita Devi, Sofia Gupta, Tamana, Akshpreet Singh, K.N. Singh|2024|J.Mol.Struct.|1297|136916|doi:10.1016/j.molstruc.2023.136916
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.cc2gfrm9
title: CCDC 2277341: Experimental Crystal Structure Determination

description: Related Article: Gurjaspreet Singh, Pooja Malik, Pawan, Mohit, Anita Devi, Sofia Gupta, Tamana, Akshpreet Singh, K.N. Singh|2024|J.Mol.Struct.|1297|136916|doi:10.1016/j.molstruc.2023.136916
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.cc2ggj2k
title: CCDC 2278068: Experimental Crystal Structure Determination

description: Related Article: Bajrang Lal, Sachin Kumar, Ram Kumar Tittal, Gurleen Singh, Jandeep Singh, Vikas D. Ghule, Ramling S. Mathpati, Jagjivan K. Sabane|2024|J.Mol.Struct.|1297|136995|doi:10.1016/j.molstruc.2023.136995
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.cc2ggtsk
title: CCDC 2278369: Experimental Crystal Structure Determination

description: Related Article: Ghulam Abbas, Francisco C. Franco Jr, S. Janani, J.N. Cheerlin Mishma, A. Manikandan, S. Muthu, Christopher E. Anson |2024|J.Mol.Struct.|1297|136933|doi:10.1016/j.molstruc.2023.136933
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.cc2ggvzs
title: CCDC 2278406: Experimental Crystal Structure Determination

description: Related Article: Alejandra Gonzalez, Qianfeng Qiu, Junichi Usuba, Joshua Wan, Grace G. D. Han|2023|ACS Mater. Au|4|30|doi:10.1021/acsmaterialsau.3c00069
description: Related Article: Alejandra Gonzalez, Qianfeng Qiu, Junichi Usuba, Joshua Wan, Grace Han|2023|CSD Communication|||
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.cc2ghbmy
title: CCDC 2278860: Experimental Crystal Structure Determination

description: Related Article: Yao Cheng, Qian-Ya Xu, Yang Gao, Zhong-Qi Wu, Ai-Quan Jia, Qian-Feng Zhang|2024|J.Mol.Struct.|1302|137398|doi:10.1016/j.molstruc.2023.137398
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.cc2ghbnz
title: CCDC 2278861: Experimental Crystal Structure Determination

description: Related Article: Yao Cheng, Qian-Ya Xu, Yang Gao, Zhong-Qi Wu, Ai-Quan Jia, Qian-Feng Zhang|2024|J.Mol.Struct.|1302|137398|doi:10.1016/j.molstruc.2023.137398
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.cc2ghbp0
title: CCDC 2278862: Experimental Crystal Structure Determination

description: Related Article: Yao Cheng, Qian-Ya Xu, Yang Gao, Zhong-Qi Wu, Ai-Quan Jia, Qian-Feng Zhang|2024|J.Mol.Struct.|1302|137398|doi:10.1016/j.molstruc.2023.137398
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.cc2ghbq1
title: CCDC 2278863: Experimental Crystal Structure Determination

description: Related Article: Yao Cheng, Qian-Ya Xu, Yang Gao, Zhong-Qi Wu, Ai-Quan Jia, Qian-Feng Zhang|2024|J.Mol.Struct.|1302|137398|doi:10.1016/j.molstruc.2023.137398
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.cc2ghbr2
title: CCDC 2278864: Experimental Crystal Structure Determination

description: Related Article: Yao Cheng, Qian-Ya Xu, Yang Gao, Zhong-Qi Wu, Ai-Quan Jia, Qian-Feng Zhang|2024|J.Mol.Struct.|1302|137398|doi:10.1016/j.molstruc.2023.137398
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.cc2ghbs3
title: CCDC 2278865: Experimental Crystal Structure Determination

description: Related Article: Yao Cheng, Qian-Ya Xu, Yang Gao, Zhong-Qi Wu, Ai-Quan Jia, Qian-Feng Zhang|2024|J.Mol.Struct.|1302|137398|doi:10.1016/j.molstruc.2023.137398
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.cc2cyxr0
title: CCDC 2203503: Experimental Crystal Structure Determination

description: Related Article: D. C. Vinay Kumar, B. S. Chethan, Shalini V, K. S. Rangappa, N. K. Lokanath|2024|J.Mol.Struct.|1297|136976|doi:10.1016/j.molstruc.2023.136976
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: 10.6084/m9.figshare.25019816
title: Supplementary Material for: Immunogenicity and safety of the three-dose COVID-19 vaccine regimen in patients receiving renal replacement therapy: a systematic review and meta-analysis

description: Background 
A three-dose regimen is the current standard for COVID-19 vaccination, but systematic data on immunogenicity and safety in CKD patients remains limited. 

Objectives 
We conducted a meta-analysis on the immunogenicity and safety of three-dose COVID-19 vaccination in patients on renal replacement therapy (RRT).

Methods
Systematic literature search in four electronic databases yielded twenty eligible studies (2117 patients, 94% received mRNA vaccines) for meta-analysis. 

Results 
The overall seropositivity rate of anti-SARS-CoV-2 was 74.2% (95% CI: 65.0%-83.4%) after three-dose COVID-19 vaccination. The seropositivity rate of anti-SARS-CoV-2 in kidney transplant recipients (KTRs) was 64.6% (95% CI: 58.7%-70.5%), and 43.5% (95% CI: 38.5%-48.6%) of non-responders after second dose became seropositive after third dose. The seropositivity rate of anti-SARS-CoV-2 was 92.9% (95% CI: 89.5%-96.2%) in dialysis patients, and 64.6% (95% CI: 46.8%-82.3%) of non-responders after second dose became seropositive after third dose. In KTRs, each year increase in transplant vintage was associated with 35.6% increase in anti-SARS-CoV-2 seropositivity (95% CI: 15.9%-55.4%, p=0.01). There were no serious adverse events attributed to vaccination in KTRs and the commonest local and systemic adverse events were injection site pain and fatigue respectively.
DOI: 10.6084/m9.figshare.25019816.v1
title: Supplementary Material for: Immunogenicity and safety of the three-dose COVID-19 vaccine regimen in patients receiving renal replacement therapy: a systematic review and meta-analysis

description: Background 
A three-dose regimen is the current standard for COVID-19 vaccination, but systematic data on immunogenicity and safety in CKD patients remains limited. 

Objectives 
We conducted a meta-analysis on the immunogenicity and safety of three-dose COVID-19 vaccination in patients on renal replacement therapy (RRT).

Methods
Systematic literature search in four electronic databases yielded twenty eligible studies (2117 patients, 94% received mRNA vaccines) for meta-analysis. 

Results 
The overall seropositivity rate of anti-SARS-CoV-2 was 74.2% (95% CI: 65.0%-83.4%) after three-dose COVID-19 vaccination. The seropositivity rate of anti-SARS-CoV-2 in kidney transplant recipients (KTRs) was 64.6% (95% CI: 58.7%-70.5%), and 43.5% (95% CI: 38.5%-48.6%) of non-responders after second dose became seropositive after third dose. The seropositivity rate of anti-SARS-CoV-2 was 92.9% (95% CI: 89.5%-96.2%) in dialysis patients, and 64.6% (95% CI: 46.8%-82.3%) of non-responders after second dose became seropositive after third dose. In KTRs, each year increase in transplant vintage was associated with 35.6% increase in anti-SARS-CoV-2 seropositivity (95% CI: 15.9%-55.4%, p=0.01). There were no serious adverse events attributed to vaccination in KTRs and the commonest local and systemic adverse events were injection site pain and fatigue respectively.
DOI: 10.6084/m9.figshare.25019825
title: Predictors and patterns of empirical antibiotic therapy and associated outcomes in COVID-19 patients: a retrospective study in a tertiary care facility in South India

description: The coronavirus disease (COVID-19) led to a global health crisis. Inappropriate use of antibiotics in COVID-19 patients has been a concern, leading to antimicrobial resistance. This study evaluated the patterns and predictors of empirical antibiotic therapy in COVID-19 patients and associated outcomes. A hospital-based retrospective study was conducted with 525 patients admitted to Kasturba Hospital, Manipal, India, with moderate and severe COVID-19 from 1 March to 1 August 2021. They were divided based on empirical therapy, and predictors of antibiotic usage were assessed by logistic regression. Four hundred and eighty (91.4%) COVID-19 patients received at least one course of antibiotics, with 440 (83.8%) initiating empirical therapy. Patients with severe COVID-19 manifestations were more likely to be prescribed empirical antibiotics. Multivariable analysis showed that patients initiated on empirical antibiotics had significantly elevated levels of procalcitonin [OR: 3.91 (95% CI: 1.66–9.16) (<i>p</i> = 0.001)], invasive ventilation [OR: 3.93 (95% CI: 1.70–9.09) (<i>p</i> = 0.001)], shortness of breath [OR: 2.25 (95% CI: 1.30–3.89) (<i>p</i> = 0.003)] and higher CRP levels [OR: 1.01 (95% CI: 1.00–1.01) (<i>p</i> = 0.005)]. Most antibiotics (65.9%) were prescribed from the ‘Watch’ group, the highest being ceftriaxone. Only 23.8% of the patients had microbiologically confirmed infections. The study identified predictors for initiating empirical antibacterial therapy in our setting.
DOI: 10.6084/m9.figshare.25019825.v1
title: Predictors and patterns of empirical antibiotic therapy and associated outcomes in COVID-19 patients: a retrospective study in a tertiary care facility in South India

description: The coronavirus disease (COVID-19) led to a global health crisis. Inappropriate use of antibiotics in COVID-19 patients has been a concern, leading to antimicrobial resistance. This study evaluated the patterns and predictors of empirical antibiotic therapy in COVID-19 patients and associated outcomes. A hospital-based retrospective study was conducted with 525 patients admitted to Kasturba Hospital, Manipal, India, with moderate and severe COVID-19 from 1 March to 1 August 2021. They were divided based on empirical therapy, and predictors of antibiotic usage were assessed by logistic regression. Four hundred and eighty (91.4%) COVID-19 patients received at least one course of antibiotics, with 440 (83.8%) initiating empirical therapy. Patients with severe COVID-19 manifestations were more likely to be prescribed empirical antibiotics. Multivariable analysis showed that patients initiated on empirical antibiotics had significantly elevated levels of procalcitonin [OR: 3.91 (95% CI: 1.66–9.16) (<i>p</i> = 0.001)], invasive ventilation [OR: 3.93 (95% CI: 1.70–9.09) (<i>p</i> = 0.001)], shortness of breath [OR: 2.25 (95% CI: 1.30–3.89) (<i>p</i> = 0.003)] and higher CRP levels [OR: 1.01 (95% CI: 1.00–1.01) (<i>p</i> = 0.005)]. Most antibiotics (65.9%) were prescribed from the ‘Watch’ group, the highest being ceftriaxone. Only 23.8% of the patients had microbiologically confirmed infections. The study identified predictors for initiating empirical antibacterial therapy in our setting.
DOI: 10.5281/zenodo.10527448
title: Dataset related to article "Can STEreotactic Body Radiation Therapy (SBRT) Improve the Prognosis of Unresectable Locally Advanced Pancreatic Cancer? Long-Term Clinical Outcomes, Toxicity and Prognostic Factors on 142 Patients (STEP Study) "

description: This record contains raw data related to article “Can STEreotactic Body Radiation Therapy (SBRT) Improve the Prognosis of Unresectable Locally Advanced Pancreatic Cancer? Long-Term Clinical Outcomes, Toxicity and Prognostic Factors on 142 Patients (STEP Study)"

Abstract



 Aim:  The gold standard of care for pancreatic adenocarcinoma is the integrated treatment of surgery and chemotherapy (ChT), but about 50% of patients present with unresectable disease. Our study evaluated the efficacy in terms of local control, survival and safety of stereotactic body radiation therapy (SBRT) in locally advanced pancreatic cancer (LAPC).

 Methods:  A retrospective study (STEP study) analyzed patients with LAPC treated with a dose of 45 Gy in 6 fractions. Local control (LC), distant progression free survival (DPFS), overall survival (OS) and toxicity were analyzed according to the Kaplan-Meier method.

 Results:  A total of 142 patients were evaluated. Seventy-six patients (53.5%) received induction ChT before SBRT. The median follow-up was 11 months. One-, 2- and 3-year LC rate was 81.9%, 69.1% and 58.5%. Median DPFS was 6.03 months; 1- and 2-year DPFS rate was 19.9% and 4.5%. Median OS was 11.6 months and 1-, 2- and 3-year OS rates were 45.4%, 16.1%, and 9.8%. At univariate analysis, performed by the log-rank test, age < 70 years (p = 0.037), pre-SBRT ChT (p = 0.004) and post-SBRT ChT (p = 0.019) were associated with better OS. No patients experienced G3 toxicity.

 Conclusion:  SBRT represents an effective and safe therapeutic option in the multimodal treatment of patients with LAPC in terms of increased LC. When SBRT was sequentially integrated with ChT, the treatment proved to be promising in terms of OS as well.