cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc24b49y
title: CCDC 1975949: Experimental Crystal Structure Determination

description: Related Article: Alexander Hermann, Felipe Fantuzzi, Merle Arrowsmith, Theresa Zorn, Ivo Krummenacher, Benedikt Ritschel, Krzysztof Radacki, Bernd Engels, Holger Braunschweig|2020|Angew.Chem.,Int.Ed.|59|15717|doi:10.1002/anie.202006131
DOI: 10.5517/ccdc.csd.cc24b4bz
title: CCDC 1975950: Experimental Crystal Structure Determination

description: Related Article: Alexander Hermann, Felipe Fantuzzi, Merle Arrowsmith, Theresa Zorn, Ivo Krummenacher, Benedikt Ritschel, Krzysztof Radacki, Bernd Engels, Holger Braunschweig|2020|Angew.Chem.,Int.Ed.|59|15717|doi:10.1002/anie.202006131
DOI: 10.5517/ccdc.csd.cc24b4c0
title: CCDC 1975951: Experimental Crystal Structure Determination

description: Related Article: Alexander Hermann, Felipe Fantuzzi, Merle Arrowsmith, Theresa Zorn, Ivo Krummenacher, Benedikt Ritschel, Krzysztof Radacki, Bernd Engels, Holger Braunschweig|2020|Angew.Chem.,Int.Ed.|59|15717|doi:10.1002/anie.202006131
DOI: 10.5517/ccdc.csd.cc24b4d1
title: CCDC 1975952: Experimental Crystal Structure Determination

description: Related Article: Alexander Hermann, Felipe Fantuzzi, Merle Arrowsmith, Theresa Zorn, Ivo Krummenacher, Benedikt Ritschel, Krzysztof Radacki, Bernd Engels, Holger Braunschweig|2020|Angew.Chem.,Int.Ed.|59|15717|doi:10.1002/anie.202006131
DOI: 10.5517/ccdc.csd.cc24b4f2
title: CCDC 1975953: Experimental Crystal Structure Determination

description: Related Article: Alexander Hermann, Felipe Fantuzzi, Merle Arrowsmith, Theresa Zorn, Ivo Krummenacher, Benedikt Ritschel, Krzysztof Radacki, Bernd Engels, Holger Braunschweig|2020|Angew.Chem.,Int.Ed.|59|15717|doi:10.1002/anie.202006131
DOI: 10.5517/ccdc.csd.cc24b4g3
title: CCDC 1975954: Experimental Crystal Structure Determination

description: Related Article: Alexander Hermann, Felipe Fantuzzi, Merle Arrowsmith, Theresa Zorn, Ivo Krummenacher, Benedikt Ritschel, Krzysztof Radacki, Bernd Engels, Holger Braunschweig|2020|Angew.Chem.,Int.Ed.|59|15717|doi:10.1002/anie.202006131
DOI: 10.5517/ccdc.csd.cc24b4h4
title: CCDC 1975955: Experimental Crystal Structure Determination

description: Related Article: Alexander Hermann, Felipe Fantuzzi, Merle Arrowsmith, Theresa Zorn, Ivo Krummenacher, Benedikt Ritschel, Krzysztof Radacki, Bernd Engels, Holger Braunschweig|2020|Angew.Chem.,Int.Ed.|59|15717|doi:10.1002/anie.202006131
DOI: 10.5517/ccdc.csd.cc24b4j5
title: CCDC 1975956: Experimental Crystal Structure Determination

description: Related Article: Alexander Hermann, Felipe Fantuzzi, Merle Arrowsmith, Theresa Zorn, Ivo Krummenacher, Benedikt Ritschel, Krzysztof Radacki, Bernd Engels, Holger Braunschweig|2020|Angew.Chem.,Int.Ed.|59|15717|doi:10.1002/anie.202006131
DOI: 10.5517/ccdc.csd.cc24b4k6
title: CCDC 1975957: Experimental Crystal Structure Determination

description: Related Article: Alexander Hermann, Felipe Fantuzzi, Merle Arrowsmith, Theresa Zorn, Ivo Krummenacher, Benedikt Ritschel, Krzysztof Radacki, Bernd Engels, Holger Braunschweig|2020|Angew.Chem.,Int.Ed.|59|15717|doi:10.1002/anie.202006131
DOI: 10.5517/ccdc.csd.cc24b4l7
title: CCDC 1975958: Experimental Crystal Structure Determination

description: Related Article: Alexander Hermann, Felipe Fantuzzi, Merle Arrowsmith, Theresa Zorn, Ivo Krummenacher, Benedikt Ritschel, Krzysztof Radacki, Bernd Engels, Holger Braunschweig|2020|Angew.Chem.,Int.Ed.|59|15717|doi:10.1002/anie.202006131
DOI: 10.5517/ccdc.csd.cc24b4m8
title: CCDC 1975959: Experimental Crystal Structure Determination

description: Related Article: Alexander Hermann, Felipe Fantuzzi, Merle Arrowsmith, Theresa Zorn, Ivo Krummenacher, Benedikt Ritschel, Krzysztof Radacki, Bernd Engels, Holger Braunschweig|2020|Angew.Chem.,Int.Ed.|59|15717|doi:10.1002/anie.202006131
DOI: 10.5517/ccdc.csd.cc24b4n9
title: CCDC 1975960: Experimental Crystal Structure Determination

description: Related Article: Alexander Hermann, Felipe Fantuzzi, Merle Arrowsmith, Theresa Zorn, Ivo Krummenacher, Benedikt Ritschel, Krzysztof Radacki, Bernd Engels, Holger Braunschweig|2020|Angew.Chem.,Int.Ed.|59|15717|doi:10.1002/anie.202006131
DOI: 10.6084/m9.figshare.5817840
title: Neurophysiological correlate of emotional regulation in cognitive and motor deficits in Tourette’s syndrome

description: <b>Objectives:</b> The present study investigated the role of different emotions in the expression of cognitive and motor control abilities of children having Tourette’s syndrome (TS) compared to healthy controls. <b>Methods:</b> The electroencephalography activity of 33 children (mean age in final sample: TS (<i>n</i> = 10) = 10.5 ± 2.3; control (<i>n</i> = 10) = 10.1 ± 2.9) was recorded during a visual task consisting of four emotional face cues (anger, happiness, neutral and sadness) followed by a target in congruent or incongruent position with emotional cue. The participants were asked to indicate the target location. <b>Results:</b> The TS patients showed a shorter latency of the P1 and N170 only for anger cues compared to controls. In addition, sLORETA results showed an increased activation in the left occipital area and a decreased activation in the left amygdala, temporal and cingulate for anger cues in TS patients. Coherently, TS patients showed a lower accuracy of response only with anger cue and severity of tics resulted correlated with the event-related potentials data and behavioural responses linked to anger cue. <b>Conclusions:</b> These results suggest that children with TS process emotions (in particular the anger) differently from the controls, and that its regulation seems to have an important role in the cognitive and motor deficits in TS.
DOI: 10.6084/m9.figshare.5817840.v2
title: Neurophysiological correlate of emotional regulation in cognitive and motor deficits in Tourette’s syndrome

description: <b>Objectives:</b> The present study investigated the role of different emotions in the expression of cognitive and motor control abilities of children having Tourette’s syndrome (TS) compared to healthy controls. <b>Methods:</b> The electroencephalography activity of 33 children (mean age in final sample: TS (<i>n</i> = 10) = 10.5 ± 2.3; control (<i>n</i> = 10) = 10.1 ± 2.9) was recorded during a visual task consisting of four emotional face cues (anger, happiness, neutral and sadness) followed by a target in congruent or incongruent position with emotional cue. The participants were asked to indicate the target location. <b>Results:</b> The TS patients showed a shorter latency of the P1 and N170 only for anger cues compared to controls. In addition, sLORETA results showed an increased activation in the left occipital area and a decreased activation in the left amygdala, temporal and cingulate for anger cues in TS patients. Coherently, TS patients showed a lower accuracy of response only with anger cue and severity of tics resulted correlated with the event-related potentials data and behavioural responses linked to anger cue. <b>Conclusions:</b> These results suggest that children with TS process emotions (in particular the anger) differently from the controls, and that its regulation seems to have an important role in the cognitive and motor deficits in TS.
DOI: 10.6084/m9.figshare.5817840.v1
title: Neurophysiological correlate of emotional regulation in cognitive and motor deficits in Tourette’s Syndrome

description: Objectives: The present study investigated the role of different emotions in the expression of cognitive and motor control abilities of children having Tourette’s Syndrome (TS) compared to healthy controls. Methods: The electroencephalography (EEG) activity of thirty-three children (mean age in final sample: TS (n = 10)=10.5±2.3; control (n = 10)=10.1±2.9) was recorded during a visual task consisting of four emotional face cues (anger, happiness, neutral and sadness) followed by a target in congruent or incongruent position with emotional cue. The participants were asked to indicate the target location. Results: The TS patients showed a shorter latency of the P1 and N170 only for anger cues compared to controls. In addition, sLORETA results showed an increased activation in the left occipital area and a decreased activation in the left amygdala, temporal and cingulate for anger cues in TS patients. Coherently, TS patients showed a lower accuracy of response only with anger cue and severity of tics resulted correlated with the ERPs data and behavioural responses linked to anger cue. Conclusions: These results suggest that children with TS process emotions (in particular the anger) differently from the controls, and that its regulation seems to have an important role in the cognitive and motor deficits in TS.
DOI: 10.6084/m9.figshare.5817837
title: Supplemental_Tables_S1-S8.xlsx

description: Supplemental Tables S1-S8This data accompanies the bioRxiv pre-print version of the manuscript.
DOI: 10.17028/rd.lboro.5817768
title: Supplementary information files for "Design of a solar energy centre for providing lighting and income-generating activities for off-grid rural communities in Kenya"

description: Supplementary information files for "Design of a solar energy centre for providing lighting and income-generating activities for off-grid rural communities in Kenya"<br>Highlights• The co-design of an off-grid electricity system based on surveyed community needs.• Comparison of solar resource analysis and design parameters using different software.• An economic analysis of income generating activities, in addition to basic lighting.• Risk and sensitivity analysis of the off-grid system and economic activities.AbstractOne of the biggest challenges in the developing world is the provision of affordable and reliable electricity access to rural and marginalized people where grid extension is prohibitively expensive. Many off-grid schemes to date have focused on household lighting with mixed success. Some of the greatest difficulties have been around affordability and sustainability of the service provided, with systems being abandoned or removed due to broken equipment or inability of the user to continue paying for the service. It has been reported that key to the success of the best programs has been the means to improve the economic prospects of the users. In this paper the design of a solar energy centre for a rural village in Kenya, that enables income-generating activities for the community in addition to basic lighting and mobile phone charging provision, will be reported. We have found that it is possible to use the energy centre model to provide power for activities that could offer a source of income for the community, at an affordable cost with equipment available in Kenya today. It is believed that this will allow the community to develop economically and therefore ensure the sustainability of the off-grid power supply.
DOI: 10.17028/rd.lboro.5817768.v1
title: Supplementary information files for "Design of a solar energy centre for providing lighting and income-generating activities for off-grid rural communities in Kenya"

description: Supplementary information files for "Design of a solar energy centre for providing lighting and income-generating activities for off-grid rural communities in Kenya"<br>Highlights• The co-design of an off-grid electricity system based on surveyed community needs.• Comparison of solar resource analysis and design parameters using different software.• An economic analysis of income generating activities, in addition to basic lighting.• Risk and sensitivity analysis of the off-grid system and economic activities.AbstractOne of the biggest challenges in the developing world is the provision of affordable and reliable electricity access to rural and marginalized people where grid extension is prohibitively expensive. Many off-grid schemes to date have focused on household lighting with mixed success. Some of the greatest difficulties have been around affordability and sustainability of the service provided, with systems being abandoned or removed due to broken equipment or inability of the user to continue paying for the service. It has been reported that key to the success of the best programs has been the means to improve the economic prospects of the users. In this paper the design of a solar energy centre for a rural village in Kenya, that enables income-generating activities for the community in addition to basic lighting and mobile phone charging provision, will be reported. We have found that it is possible to use the energy centre model to provide power for activities that could offer a source of income for the community, at an affordable cost with equipment available in Kenya today. It is believed that this will allow the community to develop economically and therefore ensure the sustainability of the off-grid power supply.
DOI: 10.6084/m9.figshare.5817675
title: Revisiting the role of sucrose in PLGA-PEG nanocarrier for potential intranasal delivery

description: The efficient design of nanocarriers is a major challenge and must be correlated with the route of administration. Intranasal route is studied for local, systemic or cerebral treatments. In order to develop nanocarriers with suitable properties for intranasal delivery, to achieve brain and to market the product, it is extremely important the simplification of the formulation in terms of raw materials. Surfactants and cryoprotectants are often added to improve structuration and/or storage of polymeric nanoparticles. PLGA-PEG nanocarriers were prepared by nanoprecipitation method evaluating the critical role of sucrose as surfactant-like and cryoprotectant, with the aim to obtain a simpler formulation compared to those proposed in other papers. Photon correlation spectroscopy and Turbiscan analysis show that sucrose is a useful excipient during the preparation process and it effectively cryoprotects nanoparticles. Among the investigated nanocarriers with different degree of PEG, PEGylated PLGA (5%) confers weak interaction between nanoparticles and mucin as demonstrated by thermal analysis and mucin particle method. Furthermore, <i>in vitro</i> biological studies on HT29, as epithelium cell line, does not show cytotoxicity effect for this nanocarrier at all texted concentrations. The selected nanosystem was also studied to load docetaxel, as model drug, and characterized by a technological point of view.
DOI: 10.6084/m9.figshare.5817675.v1
title: Revisiting the role of sucrose in PLGA-PEG nanocarrier for potential intranasal delivery

description: The efficient design of nanocarriers is a major challenge and must be correlated with the route of administration. Intranasal route is studied for local, systemic or cerebral treatments. In order to develop nanocarriers with suitable properties for intranasal delivery, to achieve brain and to market the product, it is extremely important the simplification of the formulation in terms of raw materials. Surfactants and cryoprotectants are often added to improve structuration and/or storage of polymeric nanoparticles. PLGA-PEG nanocarriers were prepared by nanoprecipitation method evaluating the critical role of sucrose as surfactant-like and cryoprotectant, with the aim to obtain a simpler formulation compared to those proposed in other papers. Photon correlation spectroscopy and Turbiscan analysis show that sucrose is a useful excipient during the preparation process and it effectively cryoprotects nanoparticles. Among the investigated nanocarriers with different degree of PEG, PEGylated PLGA (5%) confers weak interaction between nanoparticles and mucin as demonstrated by thermal analysis and mucin particle method. Furthermore, <i>in vitro</i> biological studies on HT29, as epithelium cell line, does not show cytotoxicity effect for this nanocarrier at all texted concentrations. The selected nanosystem was also studied to load docetaxel, as model drug, and characterized by a technological point of view.
DOI: 10.6084/m9.figshare.5817618
title: <i>In silico</i> approaches illustrate the evolutionary pattern and protein-small molecule interactions of quinolone synthase from <i>Aegle marmelos</i> Correa

description: Quinolone synthase from <i>Aegle marmelos</i> (AmQNS) is a Rutacean-specific plant type III polyketide synthase that synthesizes quinolone, acridone, and benzalacetone with therapeutic potential. Simple architecture and broad substrate affinity of AmQNS make it as one of the target enzymes to produce novel structural scaffolds. Another unique feature of AmQNS despite its high similarity to acridone forming type III polyketide synthase from <i>Citrus microcarpa</i> is the variation in the product formation. Hence, to explore the characteristic features of AmQNS, an in-depth sequence and structure-based bioinformatics analyses were performed. Our studies indicated that AmQNS and its nearest homologs have evolved by a series of gene duplication events and strong purifying selection pressure constrains them in the evolutionary process. Additionally, some amino acid alterations were identified in the functionally important region(s), which can contribute to the functional divergence of the enzyme. Prediction of favorable amino acid substitutions will be advantageous in the metabolic engineering of AmQNS for the production of novel compounds. Furthermore, comparative modeling and docking studies were utilized to investigate the structural behavior and small molecule interaction pattern of AmQNS. The observations and results reported here are crucial for advancing our understanding of AmQNS’s phylogenetic position, selection pressure, evolvability, interaction pattern and thus providing the foundation for further studies on the structural and reaction mechanism.
DOI: 10.6084/m9.figshare.5817618.v2
title: <i>In silico</i> approaches illustrate the evolutionary pattern and protein-small molecule interactions of quinolone synthase from <i>Aegle marmelos</i> Correa

description: Quinolone synthase from <i>Aegle marmelos</i> (AmQNS) is a Rutacean-specific plant type III polyketide synthase that synthesizes quinolone, acridone, and benzalacetone with therapeutic potential. Simple architecture and broad substrate affinity of AmQNS make it as one of the target enzymes to produce novel structural scaffolds. Another unique feature of AmQNS despite its high similarity to acridone forming type III polyketide synthase from <i>Citrus microcarpa</i> is the variation in the product formation. Hence, to explore the characteristic features of AmQNS, an in-depth sequence and structure-based bioinformatics analyses were performed. Our studies indicated that AmQNS and its nearest homologs have evolved by a series of gene duplication events and strong purifying selection pressure constrains them in the evolutionary process. Additionally, some amino acid alterations were identified in the functionally important region(s), which can contribute to the functional divergence of the enzyme. Prediction of favorable amino acid substitutions will be advantageous in the metabolic engineering of AmQNS for the production of novel compounds. Furthermore, comparative modeling and docking studies were utilized to investigate the structural behavior and small molecule interaction pattern of AmQNS. The observations and results reported here are crucial for advancing our understanding of AmQNS’s phylogenetic position, selection pressure, evolvability, interaction pattern and thus providing the foundation for further studies on the structural and reaction mechanism.
DOI: 10.6084/m9.figshare.5817432
title: Supplementary Material for: A Clinical Review of Generalized Overgrowth Syndromes in the Era of Massively Parallel Sequencing

description: The overgrowth syndromes are important to diagnose, not just for accurate genetic counseling, but also for knowledge surrounding cancer surveillance and prognosis. There has been a recent expansion in the number of genes associated with a mendelian overgrowth phenotype, so this review updates previous classifications of overgrowth syndromes. We also describe a clinical and molecular approach to the investigation of individuals presenting with overgrowth. This review aims to assist the clinical diagnosis of generalized overgrowth syndromes by outlining the salient features of well-known overgrowth syndromes alongside the many syndromes that have been discovered and classified more recently. We provide key clinical “handles” to aid clinical diagnosis and a list of genes to aid with panel design when using next generation sequencing, which we believe is frequently needed due to the overlapping phenotypic features seen between overgrowth syndromes.
DOI: 10.6084/m9.figshare.5817432.v1
title: Supplementary Material for: A Clinical Review of Generalized Overgrowth Syndromes in the Era of Massively Parallel Sequencing

description: The overgrowth syndromes are important to diagnose, not just for accurate genetic counseling, but also for knowledge surrounding cancer surveillance and prognosis. There has been a recent expansion in the number of genes associated with a mendelian overgrowth phenotype, so this review updates previous classifications of overgrowth syndromes. We also describe a clinical and molecular approach to the investigation of individuals presenting with overgrowth. This review aims to assist the clinical diagnosis of generalized overgrowth syndromes by outlining the salient features of well-known overgrowth syndromes alongside the many syndromes that have been discovered and classified more recently. We provide key clinical “handles” to aid clinical diagnosis and a list of genes to aid with panel design when using next generation sequencing, which we believe is frequently needed due to the overlapping phenotypic features seen between overgrowth syndromes.
DOI: 10.6084/m9.figshare.5817342
title: Supplementary Material for: Body Mass Index Change and Hospitalization Risk in Elderly Hemodialysis Patients: Results from Japanese Dialysis Outcomes and Practice Patterns Study

description: <b><i>Background:</i></b> Short-term weight gains and losses are associated with a lower and higher mortality risk, respectively, in patients undergoing hemodialysis (HD). However, little is known about their association with the risk of subsequent hospitalization. <b><i>Methods:</i></b> In a prospective cohort of 1,804 HD patients aged ≥65 years enrolled in the Japanese Dialysis Outcomes and Practice Patterns Study phases 3 (2005–2008) and 4 (2009–2011), we examined the associations between changes in body mass index (BMI) over a 4-month baseline period (<i>Results:</i> During a median follow-up of 1.2 years, we noted 1,028 incident hospitalizations for any cause, including 275 and 753 hospitalizations for cardiovascular and noncardiovascular causes, respectively. An L-shaped association was observed between BMI change and all-cause hospitalization. The multivariable-adjusted hazard ratios (HRs; 95% CI) of all-cause hospitalization associated with BMI changes of <i>Conclusions:</i> Decreases in BMI over a relatively short-term period were independently associated with higher risk of subsequent hospitalization, particularly cardiovascular-related hospitalization, among elderly HD patients.
DOI: 10.6084/m9.figshare.5817198
title: Daily catalog of Frontal Rainfall Events detected in APHRODITE data for eastern China, 1951-2007

description: Applying the FREDA algorithm to daily APHRODITE rainfall data produces a complete catalog of all primary and secondary frontal rainfall events for 1951-2007 (20,819 days total).
DOI: 10.6084/m9.figshare.5817198.v1
title: Daily catalog of Frontal Rainfall Events detected in APHRODITE data for eastern China, 1951-2007

description: Applying the FREDA algorithm to daily APHRODITE rainfall data produces a complete catalog of all primary and secondary frontal rainfall events for 1951-2007 (20,819 days total).