cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc219q58
title: CCDC 1886169: Experimental Crystal Structure Determination

description: Related Article: Shan Huang, Jia Xu, Yayun Peng, Minshan Guo, Ting Cai|2019|Cryst.Growth Des.|19|6837|doi:10.1021/acs.cgd.9b01111
DOI: 10.5517/ccdc.csd.cc28nh1h
title: CCDC 2105056: Experimental Crystal Structure Determination

description: Related Article: Madhumathi Lakshmipathi, Srinu Tothadi, Franziska Emmerling, Biswajit Bhattacharya, Soumyajit Ghosh|2021|J.Mol.Struct.|1252|132182|doi:10.1016/j.molstruc.2021.132182
DOI: 10.5281/zenodo.5811977
title: All-atom Molecular Dynamics Simulations of Meiosis 1-associated protein (M1AP) to Investagate the Impact of Known Missense Mutations Associated with Male Infertility through Non-obstructive Azoospermia

description: Protein structure of meiosis 1-associated protein (M1AP) was modelled by using GalaxyWeb (from Seok Lab). We used this model to investigate the impact of variants (i.e., S50P, R266Q, P389L, G317R, and L430P) in M1AP which were recently associated with non-obstructive azoospermia (NOA). NOA is a male infertility-related condition causing absence of sperm in the seminal fluid due to meiosis failure. We aimed to elucidate the pathogenicity mechanisms of these five missense NOA-related mutations on M1AP by performing molecular modeling and molecular dynamics (MD) simulations. This dataset includes the results of 1000 ns MD simulations (two repeats, each 500 ns) for each of the mutant and wild-type systems. Systems were prepared in Visual Molecular Dynamics (VMD 1.9.3) by placing them in a TIP3P water box with approximately 20 Å thickness from the protein surface and neutralizing the system charge with 0.15 M KCl. Of note, only protein parts were kept for the submission to reduce the size of files. Nanoscale Molecular Dynamics (NAMD 2.13-CUDA) was used to perform MD simulations with CHARMM36m force field. For pressure and temperature controls, Nosé-Hoover Langevin barostat and Langevin thermostat were used. ShakeH algorithm of NAMD was applied for water molecule constraints. 12 Å cut-off distance was used for van der Waals interactions. Switching function starts at 10 Å and reaches zero at 14 Å. Integration time-step was 2 fs. To compute the long-range Coulomb interactions, the particle-mash Ewald method was used. NPT ensemble was applied for whole simulations. Two step minimization & equilibration procedure was performed: (1) 5,000-step minimization and 1 ns equilibrium with constraints on the protein; (2) 5,000-step minimization and 1 ns equilibrium without the constraints on the protein. All related configuration files for wild-type system were also included to the dataset. Production simulations were run twice along 500 ns by using different random seeds to assign the velocities from Boltzmann distribution (total simulation time for each system was 1000 ns, which are given as 500 ns repeat 1, and 500 ns repeat 2). The production simulations were supplied in the dataset. "out" and "log" files were used for energy analysis. For all analysis scripts, see https://github.com/ugerlevik/M1AP_analysis.
DOI: 10.5281/zenodo.4529646
title: All-atom Molecular Dynamics Simulations of Meiosis 1-associated protein (M1AP) to Investagate the Impact of Known Missense Mutations Associated with Male Infertility through Non-obstructive Azoospermia

description: Protein structure of meiosis 1-associated protein (M1AP) was modelled by using GalaxyWeb (from Seok Lab). We used this model to investigate the impact of variants (i.e., S50P, R266Q, P389L, G317R, and L430P) in M1AP which were recently associated with non-obstructive azoospermia (NOA). NOA is a male infertility-related condition causing absence of sperm in the seminal fluid due to meiosis failure. We aimed to elucidate the pathogenicity mechanisms of these five missense NOA-related mutations on M1AP by performing molecular modeling and molecular dynamics (MD) simulations. This dataset includes the results of 1000 ns MD simulations (two repeats, each 500 ns) for each of the mutant and wild-type systems. Systems were prepared in Visual Molecular Dynamics (VMD 1.9.3) by placing them in a TIP3P water box with approximately 20 Å thickness from the protein surface and neutralizing the system charge with 0.15 M KCl. Of note, only protein parts were kept for the submission to reduce the size of files. Nanoscale Molecular Dynamics (NAMD 2.13-CUDA) was used to perform MD simulations with CHARMM36m force field. For pressure and temperature controls, Nosé-Hoover Langevin barostat and Langevin thermostat were used. ShakeH algorithm of NAMD was applied for water molecule constraints. 12 Å cut-off distance was used for van der Waals interactions. Switching function starts at 10 Å and reaches zero at 14 Å. Integration time-step was 2 fs. To compute the long-range Coulomb interactions, the particle-mash Ewald method was used. NPT ensemble was applied for whole simulations. Two step minimization & equilibration procedure was performed: (1) 5,000-step minimization and 1 ns equilibrium with constraints on the protein; (2) 5,000-step minimization and 1 ns equilibrium without the constraints on the protein. All related configuration files for wild-type system were also included to the dataset. Production simulations were run twice along 500 ns by using different random seeds to assign the velocities from Boltzmann distribution (total simulation time for each system was 1000 ns, which are given as 500 ns repeat 1, and 500 ns repeat 2). The production simulations were supplied in the dataset. "out" and "log" files were used for energy analysis. For all analysis scripts, see https://github.com/ugerlevik/M1AP_analysis.
DOI: 10.5281/zenodo.5812004
title: The association between body mass index and fibromyalgia severity: data from a cross-sectional survey of 2339 patients

description: The association between body mass index and fibromyalgia severity: data from a cross-sectional survey of 2339 patients Objective Various studies have shown that overweight and obesity are central features of FM, but<br> the real impact of a high BMI on clinical severity in patients with FM is still controversial. The aim of<br> this study was to analyse the relationships between BMI categories and measures of symptom severity<br> and functional impairment using data from a Web-based registry of patients with FM.<br> Methods Adult patients with an ACR 2010/2011 diagnosis of FM underwent a complete physical examination<br> and laboratory tests and were asked to complete a package of questionnaires covering their<br> sociodemographic and treatment details, in addition to the following disease-specific questionnaires:<br> the revised Fibromyalgia Impact Questionnaire (FIQR), the modified Fibromyalgia Assessment Status<br> questionnaire (ModFAS) and the Polysymptomatic Distress Scale (PDS).<br> Results A total of 2339 patients were recruited and divided into two weight categories, underweight/<br> normal (U/N, n¼1127, 48.2%) and overweight/obese (O/O, n¼1212, 51.8%). The total and subscales significantly higher in the O/O patients, as were all the mean scores of the individual FIQR items<br> (P&lt;0.001 for all).<br> Conclusion Our findings demonstrate that O/O patients with FM are significantly more impaired than<br> U/N patients in all the symptomatological and functional domains as measured using the FIQR,<br> ModFAS and PDS, thus suggesting that being O/O has an additional effect on symptoms and<br> function.
DOI: 10.5281/zenodo.5812003
title: The association between body mass index and fibromyalgia severity: data from a cross-sectional survey of 2339 patients

description: The association between body mass index and fibromyalgia severity: data from a cross-sectional survey of 2339 patients Objective Various studies have shown that overweight and obesity are central features of FM, but<br> the real impact of a high BMI on clinical severity in patients with FM is still controversial. The aim of<br> this study was to analyse the relationships between BMI categories and measures of symptom severity<br> and functional impairment using data from a Web-based registry of patients with FM.<br> Methods Adult patients with an ACR 2010/2011 diagnosis of FM underwent a complete physical examination<br> and laboratory tests and were asked to complete a package of questionnaires covering their<br> sociodemographic and treatment details, in addition to the following disease-specific questionnaires:<br> the revised Fibromyalgia Impact Questionnaire (FIQR), the modified Fibromyalgia Assessment Status<br> questionnaire (ModFAS) and the Polysymptomatic Distress Scale (PDS).<br> Results A total of 2339 patients were recruited and divided into two weight categories, underweight/<br> normal (U/N, n¼1127, 48.2%) and overweight/obese (O/O, n¼1212, 51.8%). The total and subscales significantly higher in the O/O patients, as were all the mean scores of the individual FIQR items<br> (P&lt;0.001 for all).<br> Conclusion Our findings demonstrate that O/O patients with FM are significantly more impaired than<br> U/N patients in all the symptomatological and functional domains as measured using the FIQR,<br> ModFAS and PDS, thus suggesting that being O/O has an additional effect on symptoms and<br> function.
DOI: 10.5281/zenodo.5812008
title: Forbesichthys agassizzi UTTC_649 decontaminated FSCR

description: .
DOI: 10.5281/zenodo.5812007
title: Forbesichthys agassizzi UTTC_649 decontaminated FSCR

description: .
DOI: 10.6084/m9.figshare.17708438
title: Data Sharing

description: The data provided in this repository is the dataset of the article “Disaggregated Approach of Local Government Expenditures and Poverty Reduction: Empirical Evidence from Panel Data Analysis”. The raw data are gathered from The Ministry of Finance in Indonesia and the Central Bureau of Statistic Indonesia. In addition, this article uses a panel data set of 24 districts/cities in South Sulawesi for the period of 2015 to 2020.
DOI: 10.34740/kaggle/dsv/2991017
title: YouTube Trending Video Dataset (updated daily)
DOI: 10.5281/zenodo.5812014
title: Experimental Drugs for Panic Disorder: An Updated Systematic Review

description: Experimental Drugs for Panic Disorder: An Updated Systematic Review Abstract: Several effective pharmacological therapies for panic disorder (PD) are available,<br> but they have some drawbacks, and unsatisfactory outcomes can occur. Expanding the<br> variety of anti-panic medications may allow for improving PD treatment. The authors<br> performed an updated systematic review of preclinical and clinical (Phase I–III) pharmacological<br> studies to look for advances made in the last six years concerning novel-mechanismbased<br> anti-panic compounds or using medications approved for nonpsychiatric medical<br> conditions to treat PD. The study included seven published articles presenting a series of<br> preclinical studies, two Phase I clinical studies with orexin receptor (OXR) antagonists, and<br> two clinical studies investigating the effects of D-cycloserine (DCS) and xenon gas in<br> individuals with PD. The latest preclinical findings confirmed and expanded previous<br> promising indications of OXR1 antagonists as novel-mechanism-based anti-panic compounds.<br> Translating preclinical research into clinical applications remains in the early stages.<br> However, limited clinical findings suggested the selective OXR1 antagonist JNJ-61393115<br> may exert anti-panic effects in humans. Overall, OXR1 antagonists displayed a favorable<br> profile of short-term safety and tolerability. Very preliminary suggestions of possible antipanic<br> effects of xenon gas emerged but need confirmation with more rigorous methodology.<br> DCS did not seem promising as an enhancer of cognitive-behavioral therapy in PD. Future<br> studies, including objective panic-related physiological parameters, such as respiratory<br> measures, and expanding the use of panic vulnerability biomarkers, such as hypersensitivity<br> to CO2 panic provocation, may allow for more reliable conclusions about the anti-panic<br> properties of new compounds.
DOI: 10.5281/zenodo.5812013
title: Experimental Drugs for Panic Disorder: An Updated Systematic Review

description: Experimental Drugs for Panic Disorder: An Updated Systematic Review Abstract: Several effective pharmacological therapies for panic disorder (PD) are available,<br> but they have some drawbacks, and unsatisfactory outcomes can occur. Expanding the<br> variety of anti-panic medications may allow for improving PD treatment. The authors<br> performed an updated systematic review of preclinical and clinical (Phase I–III) pharmacological<br> studies to look for advances made in the last six years concerning novel-mechanismbased<br> anti-panic compounds or using medications approved for nonpsychiatric medical<br> conditions to treat PD. The study included seven published articles presenting a series of<br> preclinical studies, two Phase I clinical studies with orexin receptor (OXR) antagonists, and<br> two clinical studies investigating the effects of D-cycloserine (DCS) and xenon gas in<br> individuals with PD. The latest preclinical findings confirmed and expanded previous<br> promising indications of OXR1 antagonists as novel-mechanism-based anti-panic compounds.<br> Translating preclinical research into clinical applications remains in the early stages.<br> However, limited clinical findings suggested the selective OXR1 antagonist JNJ-61393115<br> may exert anti-panic effects in humans. Overall, OXR1 antagonists displayed a favorable<br> profile of short-term safety and tolerability. Very preliminary suggestions of possible antipanic<br> effects of xenon gas emerged but need confirmation with more rigorous methodology.<br> DCS did not seem promising as an enhancer of cognitive-behavioral therapy in PD. Future<br> studies, including objective panic-related physiological parameters, such as respiratory<br> measures, and expanding the use of panic vulnerability biomarkers, such as hypersensitivity<br> to CO2 panic provocation, may allow for more reliable conclusions about the anti-panic<br> properties of new compounds.
DOI: 10.5281/zenodo.5812010
title: Relapse prevention in panic disorder with pharmacotherapy: where are we now?

description: Relapse prevention in panic disorder with pharmacotherapy: where are we now? Introduction: A substantial number of patients with PD experience relapse after the discontinuation<br> of effective pharmacotherapy, leading to detrimental effects on the individuals and considerable<br> societal costs. This suggests the need to optimize pharmacotherapy to minimize relapse risk.<br> Area covered: The present systematic review examines randomized, double-blind, placebo-controlled<br> relapse prevention studies published over the last 20 years involving recommended medications. The<br> authors aim to provide an overview of this topic and evaluate whether recent advances were achieved.<br> Only seven studies were included, providing limited results. One-year maintenance pharmacotherapy<br> with constant doses had protective effects against relapse in patients who had previously exhibited<br> satisfactory responses to the same medication at the same doses. The duration of maintenance treatment<br> did not influence relapse risk. No data were available concerning the use of lower doses or the predictors<br> of relapse.<br> Expert opinion: Relapse prevention in PD has received limited attention. Recent progress and conclusive<br> indications are lacking. Rethinking pharmacological research in PD may be productive.<br> Collecting a wide range of clinical and individual features/biomarkers in large-scale, multicenter longterm<br> naturalistic studies, and implementing recent technological innovations (e.g., electronic medical<br> records/‘big data’ platforms, wearable devices, and machine learning techniques) may help identify<br> reliable predictive models.
DOI: 10.5281/zenodo.5812009
title: Relapse prevention in panic disorder with pharmacotherapy: where are we now?

description: Relapse prevention in panic disorder with pharmacotherapy: where are we now? Introduction: A substantial number of patients with PD experience relapse after the discontinuation<br> of effective pharmacotherapy, leading to detrimental effects on the individuals and considerable<br> societal costs. This suggests the need to optimize pharmacotherapy to minimize relapse risk.<br> Area covered: The present systematic review examines randomized, double-blind, placebo-controlled<br> relapse prevention studies published over the last 20 years involving recommended medications. The<br> authors aim to provide an overview of this topic and evaluate whether recent advances were achieved.<br> Only seven studies were included, providing limited results. One-year maintenance pharmacotherapy<br> with constant doses had protective effects against relapse in patients who had previously exhibited<br> satisfactory responses to the same medication at the same doses. The duration of maintenance treatment<br> did not influence relapse risk. No data were available concerning the use of lower doses or the predictors<br> of relapse.<br> Expert opinion: Relapse prevention in PD has received limited attention. Recent progress and conclusive<br> indications are lacking. Rethinking pharmacological research in PD may be productive.<br> Collecting a wide range of clinical and individual features/biomarkers in large-scale, multicenter longterm<br> naturalistic studies, and implementing recent technological innovations (e.g., electronic medical<br> records/‘big data’ platforms, wearable devices, and machine learning techniques) may help identify<br> reliable predictive models.
DOI: 10.5281/zenodo.5811985
title: Variations of HRV and skin conductance reveal the influence of CV4 and Rib Raising techniques on autonomic balance: A randomized controlled clinical trial

description: Variations of HRV and skin conductance reveal the influence of CV4 and Rib Raising techniques on autonomic balance: A randomized controlled clinical trial Introduction: The aim of the present study was to evaluate whether Fourth Ventricle Compression Technique (CV4) and Rib Raising (RR) osteopathic techniques influence Autonomic Nervous System (ANS) activity, as measured by Heart Rate Variability (HRV) and Skin Conductance (SC). Method: A randomized-controlled clinical trial has been performed from June 2010 to January 2011. 32 healthy adults (33.9 ± 14 years, and 72% female) were selected. Subjects were randomized in three groups: CV4 group, RR group and Placebo group. Each subject of each group underwent respective technique only once. HRV and SC were continuously recorded during the session. All data analysis was performed using SPSS statistical software (version 21.0) and the significance level was considered at p 0.05. Results: RR technique intra-group subject analysis showed a significant decrease in LF/HF ratio (F ¼ 25.18; p &lt; 0.001), a statistically significant decrease of LF (F ¼ 27.09; p &lt; 0.001), and increase of HF, both at the end of treatment (F ¼ 27.09; p &lt; 0.001). CV4 technique intra-group subject analysis showed a significant reduction of the LF/HF ratio (F ¼ 81.15; p &lt; 0.001), a significant decrease in LF (F ¼ 38.29; p &lt; 0.001) and a significant increase of HF, at the end of treatment (F ¼ 38.28; p &lt; 0.001). Between-group analysis showed only a significant difference in LF/HF ratio between CV4 and PL groups (F ¼ 3.44; p ¼ 0.042). Discussion: Our results suggest that the application of CV4 and RR techniques favors a shift in the autonomic balance towards a parasympathetic predominant state. Thus, their use within OMT protocol, as holistic approach, might improve the outcome of the treatment of clinical neuro-vegetative conditions.
DOI: 10.5281/zenodo.5811984
title: Variations of HRV and skin conductance reveal the influence of CV4 and Rib Raising techniques on autonomic balance: A randomized controlled clinical trial

description: Variations of HRV and skin conductance reveal the influence of CV4 and Rib Raising techniques on autonomic balance: A randomized controlled clinical trial Introduction: The aim of the present study was to evaluate whether Fourth Ventricle Compression Technique (CV4) and Rib Raising (RR) osteopathic techniques influence Autonomic Nervous System (ANS) activity, as measured by Heart Rate Variability (HRV) and Skin Conductance (SC). Method: A randomized-controlled clinical trial has been performed from June 2010 to January 2011. 32 healthy adults (33.9 ± 14 years, and 72% female) were selected. Subjects were randomized in three groups: CV4 group, RR group and Placebo group. Each subject of each group underwent respective technique only once. HRV and SC were continuously recorded during the session. All data analysis was performed using SPSS statistical software (version 21.0) and the significance level was considered at p 0.05. Results: RR technique intra-group subject analysis showed a significant decrease in LF/HF ratio (F ¼ 25.18; p &lt; 0.001), a statistically significant decrease of LF (F ¼ 27.09; p &lt; 0.001), and increase of HF, both at the end of treatment (F ¼ 27.09; p &lt; 0.001). CV4 technique intra-group subject analysis showed a significant reduction of the LF/HF ratio (F ¼ 81.15; p &lt; 0.001), a significant decrease in LF (F ¼ 38.29; p &lt; 0.001) and a significant increase of HF, at the end of treatment (F ¼ 38.28; p &lt; 0.001). Between-group analysis showed only a significant difference in LF/HF ratio between CV4 and PL groups (F ¼ 3.44; p ¼ 0.042). Discussion: Our results suggest that the application of CV4 and RR techniques favors a shift in the autonomic balance towards a parasympathetic predominant state. Thus, their use within OMT protocol, as holistic approach, might improve the outcome of the treatment of clinical neuro-vegetative conditions.
DOI: 10.6084/m9.figshare.16822306
title: Dataset_MedialEyeFieldNetwork_Neglect

description: Unthresholded SVR-LSM p-maps, raw beta maps and lesion overlap maps related to the paper untitled 'Critical contribution of the medial field network to the voluntary deployment of visuospatial attention' by Guillaume Herbet & Hugues Duffau.<br>
DOI: 10.6084/m9.figshare.16822306.v2
title: Dataset_MedialEyeFieldNetwork_Neglect

description: Unthresholded SVR-LSM p-maps, raw beta maps and lesion overlap maps related to the paper untitled 'Critical contribution of the medial field network to the voluntary deployment of visuospatial attention' by Guillaume Herbet & Hugues Duffau.<br>
DOI: 10.5281/zenodo.5812025
title: Gaidropsarus macrophthalmus decontaminated FSCR

description: .
DOI: 10.5281/zenodo.5812024
title: Gaidropsarus macrophthalmus decontaminated FSCR

description: .
DOI: 10.5441/001/1.d5d912c4
title: Data from: Study "Arctic hare Alert - Argos tracking"

description: Lai S, Desjardins É, Caron-Carrier J, Couchoux C, Vézina F, Tam A, Koutroulides N, Berteaux D. 2022. Unsuspected mobility of Arctic hares revealed by longest journey ever recorded in a lagomorph. Ecology. e3620. doi:10.1002/ecy.3620
description: Lagomorphs (pikas, rabbits and hares) are small to medium-sized herbivores that occupy diverse habitats across all continents except Antarctica. Lagomorph movements are usually limited to natal dispersal, performed over relatively short distances (&lt; 1 to 35 km). Here, we report the longest travel ever documented in a lagomorph, an Arctic hare Lepus arcticus, tracked during a project characterizing large-scale movements in the Canadian High Arctic using Argos satellite telemetry. From her Alert departure to her settlement near Lake Hazen, she traveled a minimum cumulative distance of 388 km over 49 days. This long-distance movement reveals unprecedented mobility capacities in this mammalian order.