cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.7511942
title: Dataset for "New Perspectives for Nonlinear Depth-inversion of the Nearshore Using Boussinesq Theory"

description: <pre>This dataset gathers all cross-spectral, spectral and bispectral data produced and used in the manuscript accepted for publication in Geophysical Research Letters: "New Perspectives for Nonlinear Depth-inversion of the Nearshore Using Boussinesq Theory", by K. Martins, P. Bonneton, O. de Viron, I. L. Turner, M. D. Harley and K. Splinter The sharing of the processed data is motivated by research reproductibility purposes and with the hope that it will foster efforts in improving the newly-proposed depth-inversion procedure. Three laboratory experiments are considered, namely the experiments reported in van Noorloos (2003), Michallet et al. (2011) and GLOBEX (e.g., see Ruessink et al., 2013). The processed data is organised in separate self-explanatory .mat files (generated with MATLAB software), gathering: - "cel_data" : wave phase velocities obtained from cross-spectral and cross-correlation analyses between adjacent wave gauges - "bulk_data" : range of bulk wave parameters computed across the different wave flumes - "bispectrum_data" : spectral and bispectral estimates computed across the different wave flumes The scripts for performing the depth-inversion as well as a for plotting the results are provided. The new Boussinesq depth-inversion procedure relies on the function "fun_compute_krms_terms.m", which is provided and originates from the bispectral analysis library accessible from the first author GitHub repository at https://github.com/ke-martins/bispectral-analysis. Acknowledgements: Kévin Martins greatly acknowledges the financial support from the European Union's Horizon 2020 research and innovation program under the Marie Skodowska-Curie Grant Agreement 887867 (lidBathy). We warmly thank Ap van Dongeren and Hervé Michallet for providing the raw data for the experiments described in van Noorloos (2003) and Michallet et al. (2011), respectively. The raw data from GLOBEX used in this research can be accessed on Zenodo at https://zenodo.org/record/4009405 and can be used under the Creative Commons Attribution 4.0 International license. The GLOBEX project was supported by the European Community’s Seventh Framework Programme through the Hydralab IV project, EC Contract 261520. References: Michallet, H., Cienfuegos, R., Barthélemy, E., & Grasso, F. (2011). Kinematics of waves propagating and breaking on a barred beach. European Journal of Mechanics - B/Fluids, 30 (6), 624 – 634. doi: 10.1016/j.euromechflu.2010.12.004 Ruessink, G. B., Michallet, H., Bonneton, P., Mouazé, D., Lara, J. L., Silva, P. A., & Wellens, P. (2013). GLOBEX: Wave dynamics on a gently sloping laboratory beach. In Coastal Dynamics ’13: Proceedings of the Seventh Conference on Coastal Dynamics, Arcachon, France. van Noorloos, J. C. (2003). Energy transfer between short wave groups and bound long waves on a plane slope (Master’s thesis, Delft University of Technology, Delft, The Netherlands). Retrieved from http://resolver.tudelft.nl/uuid:13616ff0-407d-43de-9954-ba707cd40d27</pre>
DOI: 10.6084/m9.figshare.21835014
title: File 7

description: Species annotation information at family level
DOI: 10.6084/m9.figshare.21835020
title: File 6

description: Species annotation information at class level
DOI: 10.6084/m9.figshare.21835032
title: File 5

description: Species annotation information at order level
DOI: 10.6084/m9.figshare.21834972
title: Herbal Medicine for OH data.xlsx

description: This data is related to a study in Malaysia that explored Knowledge and Practice regarding using herbal medicine for oral health in Malaysia.
DOI: 10.6084/m9.figshare.21828354
title: raw data of error

description: Raw data derived from DELM, DBN, DNN, ELM prediction errors, which was used for comparison and selection of different algorithm, applied for Fig 8
DOI: 10.6084/m9.figshare.21828354.v1
title: Figure S1

description: Raw data derived from DELM, DBN, DNN, ELM prediction errors, which was used for comparison and selection of different algorithm, applied for Fig 8
DOI: 10.6084/m9.figshare.21828354.v2
title: raw data of error

description: Raw data derived from DELM, DBN, DNN, ELM prediction errors, which was used for comparison and selection of different algorithm, applied for Fig 8
DOI: 10.6084/m9.figshare.21835047
title: File 4

description: Species annotation information at phylum level
DOI: 10.5281/zenodo.6625358
title: BOMA_data

description: Data for BOMA manuscript
DOI: 10.5281/zenodo.6625362
title: BOMA_data

description: Data for BOMA manuscript
DOI: 10.5281/zenodo.7236202
title: BOMA_data

description: Data for BOMA manuscript
DOI: 10.5281/zenodo.6625357
title: BOMA_data

description: Data for BOMA manuscript
DOI: 10.5281/zenodo.7512027
title: BOMA_data

description: Data for BOMA manuscript
DOI: 10.5281/zenodo.7511381
title: Identification of Potential Multi-Target Directed Ligands Through Virtual Screening and Molecular Dynamics Simulation Approach for the Treatment of Alzheimer's Disease

description: Alzheimer’s disease (AD) is a multifactorial neurological disorder characterized by memory loss and cognitive impairment. The currently available single-targeting drugs have miserably failed in the treatment of AD and multi-target directed ligands (MTDLs) are being explored as an alternative strategy. Cholinesterase and monoamine oxidase enzymes are reported to play crucial role in the pathology of AD and multipotent ligands targeting these two enzymes simultaneously, are under various phases of design and development. Recent studies have revealed that computational approaches are robust and trusted tools for the identification of novel therapeutics. The current research work is focused on the development of potential multitarget directed ligands that simultaneously inhibit acetylcholinesterase (AChE) and monoamine oxidase B (MAO-B) enzymes employing structure-based virtual screening (SBDD) approach. The ASINEX database was screened after applying pan assay interference and drug likeness filter to identify novel molecules using three docking precision criteria Highthroughput virtual screening (HTVS), Standard Precision (SP), and extra precision (XP). Additionally, binding free energy calculations, ADME and molecular dynamic simulations were also employed to get structural insights into mechanism of protein-ligand binding and pharmacokinetic properties. Three lead molecules viz. AOP19078710, BAS00314308 and BDD26909696 were successfully identified which displayed binding score of -10.565, -10.543 & -8.066 kcal/mol against AChE and -11.019, -12.357 & -10.068 kcal/mol against MAO-B, better score as compared to the standard inhibitors. In near future, these molecules will be synthesized and evaluated through in vitro and in vivo assays for their inhibition potential against AChE and MAO-B enzymes.
description: In this study, we have used various softwares for the computational studies like: Schrodinger, GROMACS, KNIME extension, SWISS bioavailability prediction.
DOI: 10.5281/zenodo.7512041
title: Identification of Potential Multi-Target Directed Ligands Through Virtual Screening and Molecular Dynamics Simulation Approach for the Treatment of Alzheimer's Disease

description: Alzheimer’s disease (AD) is a multifactorial neurological disorder characterized by memory loss and cognitive impairment. The currently available single-targeting drugs have miserably failed in the treatment of AD and multi-target directed ligands (MTDLs) are being explored as an alternative strategy. Cholinesterase and monoamine oxidase enzymes are reported to play crucial role in the pathology of AD and multipotent ligands targeting these two enzymes simultaneously, are under various phases of design and development. Recent studies have revealed that computational approaches are robust and trusted tools for the identification of novel therapeutics. The current research work is focused on the development of potential multitarget directed ligands that simultaneously inhibit acetylcholinesterase (AChE) and monoamine oxidase B (MAO-B) enzymes employing structure-based virtual screening (SBDD) approach. The ASINEX database was screened after applying pan assay interference and drug likeness filter to identify novel molecules using three docking precision criteria Highthroughput virtual screening (HTVS), Standard Precision (SP), and extra precision (XP). Additionally, binding free energy calculations, ADME and molecular dynamic simulations were also employed to get structural insights into mechanism of protein-ligand binding and pharmacokinetic properties. Three lead molecules viz. AOP19078710, BAS00314308 and BDD26909696 were successfully identified which displayed binding score of -10.565, -10.543 & -8.066 kcal/mol against AChE and -11.019, -12.357 & -10.068 kcal/mol against MAO-B, better score as compared to the standard inhibitors. In near future, these molecules will be synthesized and evaluated through in vitro and in vivo assays for their inhibition potential against AChE and MAO-B enzymes.
description: In this study, we have used various softwares for the computational studies like: Schrodinger, GROMACS, KNIME extension, SWISS bioavailability prediction.
DOI: 10.5281/zenodo.7511380
title: Identification of Potential Multi-Target Directed Ligands Through Virtual Screening and Molecular Dynamics Simulation Approach for the Treatment of Alzheimer's Disease

description: Alzheimer’s disease (AD) is a multifactorial neurological disorder characterized by memory loss and cognitive impairment. The currently available single-targeting drugs have miserably failed in the treatment of AD and multi-target directed ligands (MTDLs) are being explored as an alternative strategy. Cholinesterase and monoamine oxidase enzymes are reported to play crucial role in the pathology of AD and multipotent ligands targeting these two enzymes simultaneously, are under various phases of design and development. Recent studies have revealed that computational approaches are robust and trusted tools for the identification of novel therapeutics. The current research work is focused on the development of potential multitarget directed ligands that simultaneously inhibit acetylcholinesterase (AChE) and monoamine oxidase B (MAO-B) enzymes employing structure-based virtual screening (SBDD) approach. The ASINEX database was screened after applying pan assay interference and drug likeness filter to identify novel molecules using three docking precision criteria Highthroughput virtual screening (HTVS), Standard Precision (SP), and extra precision (XP). Additionally, binding free energy calculations, ADME and molecular dynamic simulations were also employed to get structural insights into mechanism of protein-ligand binding and pharmacokinetic properties. Three lead molecules viz. AOP19078710, BAS00314308 and BDD26909696 were successfully identified which displayed binding score of -10.565, -10.543 & -8.066 kcal/mol against AChE and -11.019, -12.357 & -10.068 kcal/mol against MAO-B, better score as compared to the standard inhibitors. In near future, these molecules will be synthesized and evaluated through in vitro and in vivo assays for their inhibition potential against AChE and MAO-B enzymes.
description: In this study, we have used various softwares for the computational studies like: Schrodinger, GROMACS, KNIME extension, SWISS bioavailability prediction.
DOI: 10.6084/m9.figshare.21834969
title: Target discrimination strategies of echolocation bats deciphered from acoustic simulation and trajectories

description: All data used in the paper (Target discrimination strategies of echolocation bats deciphered from acoustic simulation and trajectories).
DOI: 10.6084/m9.figshare.21835056
title: File 3

description: Abundance of amplicon sequence variants in each sample
DOI: 10.6084/m9.figshare.21835059
title: File 2

description: Species annotation level based on the RDP database for each ASV
DOI: 10.6084/m9.figshare.21835062
title: File 1

description: Statistical results of each sample sequence before merging
DOI: 10.5517/ccdc.csd.cc298m29
title: CCDC 2123440: Experimental Crystal Structure Determination

description: Related Article: Xin Kang, Wanqi Yang, Yuyi Zheng, Meijia Zheng, Yang Xiao, Jianping Wang, Hucheng Zhu, Qin Li, Chunmei Chen, Yonghui Zhang|2022|Phytochemistry|207|113569|doi:10.1016/j.phytochem.2022.113569
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.cc2bkmn6
title: CCDC 2161898: Experimental Crystal Structure Determination

description: Related Article: Xihao Lin, Shilian Lai, Guoyong Fang, Xinhua Li|2022|Inorg.Chem.|61|17278|doi:10.1021/acs.inorgchem.2c02866
description: Related Article: Yong Yan, Xihao Lin, Weibing Zhang, Xinhua Li|2023|J.Electroanal.Chem.|929|117096|doi:10.1016/j.jelechem.2022.117096
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.20035974.v1
title: Hospital bioethics committees: importance, operation and difficulties in implementation

description: Abstract Created in the 1960s, hospital bioethics committees help solve ethical health conflicts, ensuring the protection of the patients’ human dignity. The aim of this article is to investigate the importance and operation of such committees in supporting patients, family members, hospital staff and health institutions in the face of bioethical challenges. A systematic literature review was carried out in the SciELO and PubMed databases between January and March 2021. The review showed the importance of hospital bioethics committees for the protection of human rights, through their support for autonomy and shared decision making in health issues, which can transform local corporate culture. The establishment and mandatory nature of ethics committees vary according to the country, with no established international standards. In Brazil, the absence of legal regulation is due to the lack of knowledge on the subject. This study aims to contribute to the advancement of regulations of hospital bioethics committees in the country.
DOI: 10.6084/m9.figshare.20035974
title: Hospital bioethics committees: importance, operation and difficulties in implementation

description: Abstract Created in the 1960s, hospital bioethics committees help solve ethical health conflicts, ensuring the protection of the patients’ human dignity. The aim of this article is to investigate the importance and operation of such committees in supporting patients, family members, hospital staff and health institutions in the face of bioethical challenges. A systematic literature review was carried out in the SciELO and PubMed databases between January and March 2021. The review showed the importance of hospital bioethics committees for the protection of human rights, through their support for autonomy and shared decision making in health issues, which can transform local corporate culture. The establishment and mandatory nature of ethics committees vary according to the country, with no established international standards. In Brazil, the absence of legal regulation is due to the lack of knowledge on the subject. This study aims to contribute to the advancement of regulations of hospital bioethics committees in the country.
DOI: 10.6084/m9.figshare.21835077
title: Anti-diabetic effects of fullerene C60 nanoparticle mediated by its anti-oxidant activity in the pancreas in type 1 diabetic rats

description: Abstract The present study aims to examine the anti-diabetic effects of fullerene C60 nanoparticle, as an anti-oxidant compound, on serum glucose level, body weight, food and water intake, and pancreatic oxidative stress in the rats with type 1 diabetes. Diabetes mellitus was induced by single intravenous injection of streptozotocine (45 mg/kg) into the tail vein of the rats. Four groups of rats were divided as follow: normal, normal treatment, diabetic, and diabetic treatment groups. Normal treatment and diabetic treatment groups received intra-orally fullerene (1 mg/ kg/daily) up to day 60 following streptozotocine injection. Oxidative stress markers in the pancreas were evaluated on day 60 after inducing diabetes mellitus. Injection of streptozotocine significantly increased serum glucose level as well as food and water intake on all experimental days; it decreased body weight on day 60. Streptozotocine increased MDA level and decreased GSH level and SOD activity in the pancreas. Fullerene significantly decreased food and water intake and increased body weight as compared with the diabetic group. Fullerene also could normalize the pancreatic MDA and GSH markers. The present study suggested that fullerene can decrease diabetic symptoms via its anti-oxidant activity in the pancreas in the rats with type 1 diabetes mellitus.
DOI: 10.6084/m9.figshare.21835077.v1
title: Anti-diabetic effects of fullerene C60 nanoparticle mediated by its anti-oxidant activity in the pancreas in type 1 diabetic rats

description: Abstract The present study aims to examine the anti-diabetic effects of fullerene C60 nanoparticle, as an anti-oxidant compound, on serum glucose level, body weight, food and water intake, and pancreatic oxidative stress in the rats with type 1 diabetes. Diabetes mellitus was induced by single intravenous injection of streptozotocine (45 mg/kg) into the tail vein of the rats. Four groups of rats were divided as follow: normal, normal treatment, diabetic, and diabetic treatment groups. Normal treatment and diabetic treatment groups received intra-orally fullerene (1 mg/ kg/daily) up to day 60 following streptozotocine injection. Oxidative stress markers in the pancreas were evaluated on day 60 after inducing diabetes mellitus. Injection of streptozotocine significantly increased serum glucose level as well as food and water intake on all experimental days; it decreased body weight on day 60. Streptozotocine increased MDA level and decreased GSH level and SOD activity in the pancreas. Fullerene significantly decreased food and water intake and increased body weight as compared with the diabetic group. Fullerene also could normalize the pancreatic MDA and GSH markers. The present study suggested that fullerene can decrease diabetic symptoms via its anti-oxidant activity in the pancreas in the rats with type 1 diabetes mellitus.
DOI: 10.6084/m9.figshare.21755728
title: The financing of water and sewage services: an analysis of the recent past (2016-2019) and challenges of diversifying sources to achieve universalization

description: Abstract Using information from the 2016 and 2019 financial statements, the article analyzes how the main providers of water and sewage services in Brazil finance themselves. The characterization of each of the different sources together with the comparison of their shares in the companies' debts aims to explain how providers have financed themselves, identifying strategies and pointing out challenges for the future leverage of investments. Specifically, the issuances of debentures, which rose significantly in the period, were analyzed. Faced with the need to more than double average investments made from 2007 to 2019 in order to universalize services in the country by 2033, as given in the National Basic Sanitation Plan and the new legal framework for sanitation, the article seeks to understand which type of funding source is most suitable for each type of investment within the sector, defending their complementarity in achieving universalization investments. Finally, some perspectives and challenges are pointed out for increasing investments with a view to universalization.
DOI: 10.6084/m9.figshare.21755728.v1
title: The financing of water and sewage services: an analysis of the recent past (2016-2019) and challenges of diversifying sources to achieve universalization

description: Abstract Using information from the 2016 and 2019 financial statements, the article analyzes how the main providers of water and sewage services in Brazil finance themselves. The characterization of each of the different sources together with the comparison of their shares in the companies' debts aims to explain how providers have financed themselves, identifying strategies and pointing out challenges for the future leverage of investments. Specifically, the issuances of debentures, which rose significantly in the period, were analyzed. Faced with the need to more than double average investments made from 2007 to 2019 in order to universalize services in the country by 2033, as given in the National Basic Sanitation Plan and the new legal framework for sanitation, the article seeks to understand which type of funding source is most suitable for each type of investment within the sector, defending their complementarity in achieving universalization investments. Finally, some perspectives and challenges are pointed out for increasing investments with a view to universalization.
DOI: 10.6084/m9.figshare.21835081
title: Anatomical and histochemical characterization of seeds of Cattleya intermedia subjected to different storage conditions

description: Abstract Studies involving morphological and anatomical changes resulting from seed storage are rare, but relevant to ensure information related to the quality of seeds and seedlings originated from these seeds. The objectives of this work as to carry out the anatomical and histochemical characterization of seeds from the Cattleya intermedia orchid, verifying the occurrence of possible alterations coming from different temperatures and storage periods. The treatments consisted of temperatures of: 25 (± 2 °C) (room), -20 °C (freezer), -80 °C (ultra freezer) and - 196 °C (cryopreservation); and storage periods: two, four and six months. For the anatomical and histochemical analyses, scanning electron microscopy and light microscopy were performed. The following stains were employed: toluidine blue (TBO), Coomassie brilliant blue (CBB), Sudan IV and periodic acid-Schiff (PAS). The dehydration observed in the seeds was considered the main damage resulting from storage. Changes in the internal structures of the seeds were also noted, such as degeneration, mainly in seeds kept at room temperature 25 (± 2 °C), which caused a reduction in the main components of reserves. The -80 °C (ultra freezer) temperature during the two and four months period was efficient in the conservation seed of the tissues and cells, confirming the possibility of using this condition for better conservation of the seeds of this species.