LIVIVO - Search results -

Search results

Result 1 - 10 of total 58

Search options

Article ; Online: TribChem: A Software for the First-Principles, High-Throughput Study of Solid Interfaces and Their Tribological Properties.

Losi, Gabriele / Chehaimi, Omar / Righi, M Clelia

Journal of chemical theory and computation

2023 Volume 19, Issue 15, Page(s) 5231–5241

Abstract: High-throughput first-principles calculations, based on solving the quantum mechanical many-body problem for hundreds of materials in parallel, have been successfully applied to advance many materials-based technologies, from batteries to hydrogen ... ...

Abstract	High-throughput first-principles calculations, based on solving the quantum mechanical many-body problem for hundreds of materials in parallel, have been successfully applied to advance many materials-based technologies, from batteries to hydrogen storage. However, this approach has not yet been adopted to systematically study solid-solid interfaces and their tribological properties. To this aim, we developed TribChem, an advanced software program based on the FireWorks platform, which is here presented and released. TribChem is constructed in a modular way, allowing for the separate calculation of bulk, surface, and interface properties. At present, the calculated interfacial properties include adhesion, shear strength, and charge redistribution. Further properties can be easily added due to the general structure of the main workflow. TribChem contains a high-level interface class to store/retrieve results from its own database and connect to public databases.
Language	English
Publishing date	2023-07-04
Publishing country	United States
Document type	Journal Article
ISSN	1549-9626
ISSN (online)	1549-9626
DOI	10.1021/acs.jctc.3c00459
Database	MEDical Literature Analysis and Retrieval System OnLINE

Order via subito

This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.

Inter-library loan at ZB MED

Your chosen title can be delivered directly to ZB MED Cologne location if you are registered as a user at ZB MED Cologne.

Article ; Online: Accurate Multiscale Simulation of Frictional Interfaces by Quantum Mechanics/Green's Function Molecular Dynamics.

Kajita, Seiji / Pacini, Alberto / Losi, Gabriele / Kikkawa, Nobuaki / Righi, Maria Clelia

Journal of chemical theory and computation

2023 Volume 19, Issue 15, Page(s) 5176–5188

Abstract: Understanding frictional phenomena is a fascinating fundamental problem with huge potential impact on energy saving. Such an understanding requires monitoring what happens at the sliding buried interface, which is almost inaccessible by experiments. ... ...

Abstract	Understanding frictional phenomena is a fascinating fundamental problem with huge potential impact on energy saving. Such an understanding requires monitoring what happens at the sliding buried interface, which is almost inaccessible by experiments. Simulations represent powerful tools in this context, yet a methodological step forward is needed to fully capture the multiscale nature of the frictional phenomena. Here, we present a multiscale approach based on linked
Language	English
Publishing date	2023-07-11
Publishing country	United States
Document type	Journal Article
ISSN	1549-9626
ISSN (online)	1549-9626
DOI	10.1021/acs.jctc.3c00295
Database	MEDical Literature Analysis and Retrieval System OnLINE

Order via subito

Inter-library loan at ZB MED

Your chosen title can be delivered directly to ZB MED Cologne location if you are registered as a user at ZB MED Cologne.

Article ; Online: COVID-19 tsunami: the first case of a spinal cord injury patient in Italy.

Righi, Gabriele / Del Popolo, Giulio

Spinal cord series and cases

2020 Volume 6, Issue 1, Page(s) 22

Abstract: Introduction: We present the report of the first, to our best knowledge, case of COVID-19 in a tetraplegic person.: Case presentation: A 56-year-old male with AIS A C4 tetraplegia developed fever during the night, without any prodrome. His general ... ...

Abstract	Introduction: We present the report of the first, to our best knowledge, case of COVID-19 in a tetraplegic person. Case presentation: A 56-year-old male with AIS A C4 tetraplegia developed fever during the night, without any prodrome. His general practitioner suspected a urinary tract infection and prescribed him antibiotic therapy. After 2 days of antibiotic therapy the fever still persisted, so the individual was admitted to the local hospital and treated with broad-spectrum antibiotics. After 2 days he was transferred to our spinal unit. Considering the worsening of the chest X-ray and fever despite 48 h of broad-spectrum antibiotic therapy, we strongly suspected viral pneumonia. SARS-CoV-2 was detected and antiviral therapy with Lopinavir/Ritonavir, associated with hydroxychloroquine, was promptly started. Fever ceased after 2 days of therapy. Discussion: Blood test and chest X-ray findings in this patient were similar to previously published findings regarding COVID-19. One difference between this case and the known clinical course of COVID-19 is that did not develop cough. Another interesting feature of our case is that, despite tetraplegia, the clinical course was not severe. Persons with COVID-19 remain asymptomatic, these results underscore the need for rehabilitation and SCI professionals to have a high index of suspicion for COVID-19 in their inpatient and outpatient clients. Only inpatient with fever hase being tested for COVID-19. All new patients are submitted to SARS-COV-2 Test. Moreover, routine testing of patients who have to participate in therapy in common gym areas may be warranted.
MeSH term(s)	Anti-Bacterial Agents/therapeutic use ; Anti-Retroviral Agents/therapeutic use ; COVID-19 ; COVID-19 Testing ; Clinical Laboratory Techniques ; Coronavirus Infections/complications ; Coronavirus Infections/diagnosis ; Coronavirus Infections/drug therapy ; Cough ; Fever/diagnosis ; Hospitalization ; Humans ; Italy ; Lopinavir/therapeutic use ; Male ; Middle Aged ; Pandemics ; Pneumonia, Viral/complications ; Pneumonia, Viral/diagnosis ; Pneumonia, Viral/drug therapy ; Quadriplegia/complications ; Respiration, Artificial ; Ritonavir/therapeutic use ; Severe acute respiratory syndrome-related coronavirus ; Spinal Cord Injuries/complications
Chemical Substances	Anti-Bacterial Agents ; Anti-Retroviral Agents ; Lopinavir (2494G1JF75) ; Ritonavir (O3J8G9O825)
Keywords	covid19
Language	English
Publishing date	2020-04-17
Publishing country	England
Document type	Case Reports ; Journal Article
ISSN	2058-6124
ISSN (online)	2058-6124
DOI	10.1038/s41394-020-0274-9
Database	MEDical Literature Analysis and Retrieval System OnLINE

Full text online

Accessible to users with ZB MED library card

Order via subito

Inter-library loan at ZB MED

Your chosen title can be delivered directly to ZB MED Cologne location if you are registered as a user at ZB MED Cologne.

Details ▾
- Full text online
- Order with fees

Book ; Online: TribChem

Losi, Gabriele / Chehaimi, Omar / Righi, M. Clelia

a Software for the First-principles, High-Throughput Study of Solid Interfaces and their Tribological properties

2023

Abstract: High throughput first-principles calculations, based on solving the quantum mechanical many-body problem for hundreds of materials in parallel, have been successfully applied to advance many materials-based technologies, from batteries to hydrogen ... ...

Abstract	High throughput first-principles calculations, based on solving the quantum mechanical many-body problem for hundreds of materials in parallel, have been successfully applied to advance many materials-based technologies, from batteries to hydrogen storage. However, this approach has not yet been adopted to systematically study solid-solid interfaces and their tribological properties. To this aim, we developed TribChem, an advanced software based on the FireWorks platform, which is here presented. TribChem is constructed in a modular way, allowing for the separate calculation of bulk, surface, and interface properties. At present the calculated interfacial properties include adhesion, shear strength, and charge redistribution. Further properties can be easily added due to the general structure of the main workflow.
Keywords	Condensed Matter - Materials Science
Publishing date	2023-04-27
Publishing country	us
Document type	Book ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

Full text online

Full text

Inter-library loan at ZB MED

Your chosen title can be delivered directly to ZB MED Cologne location if you are registered as a user at ZB MED Cologne.

Article ; Online: Perception of the COVID-19 pandemic among people with spinal cord injury: an Italian survey.

Righi, Gabriele / Baroni, Emanuele / Righi, Lorenzo / Belloni, Laura / Del Popolo, Giulio

Spinal cord series and cases

2022 Volume 8, Issue 1, Page(s) 2

Abstract: Study design: An observational study based on an online survey to explore if the participant had experienced (1) cancellation or delay of scheduled health services (2) reduction of assistance provided by a caregiver (3) barriers to social participation ... ...

Abstract	Study design: An observational study based on an online survey to explore if the participant had experienced (1) cancellation or delay of scheduled health services (2) reduction of assistance provided by a caregiver (3) barriers to social participation and recreational activities. Three validated questionnaires to investigate well-being and symptoms of anxiety and depression were also administered. Objectives: Our main aim was to quantify the obstacles experienced by adults living with SCI in Italy during COVID-19 pandemic, to explore the presence of depression and anxiety symptoms and to quantify subjective well-being. Setting: Outpatient clinic of a Spinal Unit in Italy. Methods: Online survey via direct contact and by e-mail lists. Results: In total, 101 individuals completed the survey. Of, 82.2% participants reported a history of deferment or cancellation of non-COVID-19 health services. The majority (56.4%) revealed that, at least seldom, they have chosen to reduce their usual everyday activities and more than one third (37.6%) affirmed that they had been forced to renounce to one or more of their occupations. Discontinuation of assistance by caregivers was uncommon. The median score of questionnaires measuring depression and anxiety symptoms do not differ significatively when compared with prior studies. The variable that explored the limitations experienced in everyday activities showed a significant correlation with the results of the questionnaires measuring well-being and symptoms of anxiety. Conclusions: We believe that our results could contribute to the discussion ongoing inside our community on how to answer to the new challenges of this pandemic period and of the post-pandemic future.
MeSH term(s)	Adult ; COVID-19 ; Humans ; Pandemics ; Perception ; SARS-CoV-2 ; Spinal Cord Injuries/epidemiology ; Surveys and Questionnaires
Language	English
Publishing date	2022-01-12
Publishing country	England
Document type	Journal Article ; Observational Study
ISSN	2058-6124
ISSN (online)	2058-6124
DOI	10.1038/s41394-021-00470-x
Database	MEDical Literature Analysis and Retrieval System OnLINE

Full text online

Accessible to users with ZB MED library card

Order via subito

Inter-library loan at ZB MED

Your chosen title can be delivered directly to ZB MED Cologne location if you are registered as a user at ZB MED Cologne.

Details ▾
- Full text online
- Order with fees

Article ; Online: High-Throughput First-Principles Prediction of Interfacial Adhesion Energies in Metal-on-Metal Contacts.

Restuccia, Paolo / Losi, Gabriele / Chehaimi, Omar / Marsili, Margherita / Righi, M Clelia

ACS applied materials & interfaces

2023 Volume 15, Issue 15, Page(s) 19624–19633

Abstract: Adhesion energy, a measure of the strength by which two surfaces bind together, ultimately dictates the mechanical behavior and failure of interfaces. As natural and artificial solid interfaces are ubiquitous, adhesion energy represents a key quantity in ...

Abstract	Adhesion energy, a measure of the strength by which two surfaces bind together, ultimately dictates the mechanical behavior and failure of interfaces. As natural and artificial solid interfaces are ubiquitous, adhesion energy represents a key quantity in a variety of fields ranging from geology to nanotechnology. Because of intrinsic difficulties in the simulation of systems where two different lattices are matched, and despite their importance, no systematic, accurate first-principles determination of heterostructure adhesion energy is available. We have developed robust, automatic high-throughput workflow able to fill this gap by systematically searching for the optimal interface geometry and accurately determining adhesion energies. We apply it here for the first time to perform the screening of around a hundred metallic heterostructures relevant for technological applications. This allows us to populate a database of accurate values, which can be used as input parameters for macroscopic models. Moreover, it allows us to benchmark commonly used, empirical relations that link adhesion energies to the surface energies of its constituent and to improve their predictivity employing only quantities that are easily measurable or computable.
Language	English
Publishing date	2023-04-04
Publishing country	United States
Document type	Journal Article
ISSN	1944-8252
ISSN (online)	1944-8252
DOI	10.1021/acsami.3c00662
Database	MEDical Literature Analysis and Retrieval System OnLINE

Order via subito

Inter-library loan at ZB MED

Your chosen title can be delivered directly to ZB MED Cologne location if you are registered as a user at ZB MED Cologne.

Article ; Online: A Soft Hand Exoskeleton With a Novel Tendon Layout to Improve Stable Wearing in Grasping Assistance.

Bagneschi, Tommaso / Chiaradia, Domenico / Righi, Gabriele / Popolo, Giulio Del / Frisoli, Antonio / Leonardis, Daniele

IEEE transactions on haptics

2023 Volume 16, Issue 2, Page(s) 311–321

Abstract: We present a novel soft exoskeleton providing active support for hand closing and opening. The main novelty is a different tendon routing, folded laterally on both sides of the hand, and adding clenching forces when the exoskeleton is activated. It ... ...

Abstract	We present a novel soft exoskeleton providing active support for hand closing and opening. The main novelty is a different tendon routing, folded laterally on both sides of the hand, and adding clenching forces when the exoskeleton is activated. It improves the stability of the glove, diminishing slippage and detachment of tendons from the hand palm toward the grasping workspace. The clenching effect is released when the hand is relaxed, thus enhancing the user's comfort. The alternative routing allowed embedding a single actuator on the hand dorsum, resulting more compact with no remote cable transmission. Enhanced adaptation to the hand is introduced by the modular design of the soft polymer open rings. FEM simulations were performed to understand the interaction between soft modules and fingers. Different experiments assessed the desired effect of the proposed routing in terms of stability and deformation of the glove, evaluated the inter-finger compliance for non-cylindrical grasping, and characterized the output grasping force. Experiments with subjects explored the grasping performance of the soft exoskeleton with different hand sizes. A preliminary evaluation with Spinal Cord Injury patients was useful to highlight the strengths and limitations of the device when applied to the target scenario.
MeSH term(s)	Humans ; Exoskeleton Device ; Robotics ; Touch Perception ; Hand ; Fingers ; Hand Strength ; Tendons
Language	English
Publishing date	2023-06-20
Publishing country	United States
Document type	Journal Article ; Research Support, Non-U.S. Gov't
ISSN	2329-4051
ISSN (online)	2329-4051
DOI	10.1109/TOH.2023.3273908
Database	MEDical Literature Analysis and Retrieval System OnLINE

Order via subito

Inter-library loan at ZB MED

Your chosen title can be delivered directly to ZB MED Cologne location if you are registered as a user at ZB MED Cologne.

Article ; Online: COVID-19 tsunami

Righi, Gabriele / Del Popolo, Giulio

Spinal Cord Series and Cases

the first case of a spinal cord injury patient in Italy

2020 Volume 6, Issue 1

Keywords	covid19
Language	English
Publisher	Springer Science and Business Media LLC
Publishing country	us
Document type	Article ; Online
ISSN	2058-6124
DOI	10.1038/s41394-020-0274-9
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

Full text online

Full text

Order via subito

Inter-library loan at ZB MED

Your chosen title can be delivered directly to ZB MED Cologne location if you are registered as a user at ZB MED Cologne.

Details ▾
- Full text online
- Order with fees

Book ; Online: Aromatic molecules as sustainable lubricants explored by ab initio simulations

Peeters, Stefan / Losi, Gabriele / Loehlé, Sophie / Righi, M. C.

2023

Abstract: In the pursuit of sustainable lubricant materials, the conversion of common organic molecules into graphitic material has been recently shown to effectively reduce friction of metallic interfaces. Aromatic molecules are perfect candidates due to their ... ...

Abstract	In the pursuit of sustainable lubricant materials, the conversion of common organic molecules into graphitic material has been recently shown to effectively reduce friction of metallic interfaces. Aromatic molecules are perfect candidates due to their inertness and possibility to form carbon-based tribofilms. Among many promising possibilities, we selected a group of common aromatic compounds and we investigated their capability to reduce the adhesion of iron interface. Ab initio molecular dynamic simulations of the sliding interface show that hypericin, a component of St. John's wort, effectively separates the mating iron surfaces better than graphene. This phenomenon is due to the size of the molecule, the reactivity of the moieties at its edges and the possibility to stack several of these structures that can easily slide on top of each other. The decomposition of the lateral groups of hypericin observed in the dynamic simulations suggests that the clustering of several molecules is possible, offering innovative paths to lubricate sliding contacts with compounds not typically employed in tribology.
Keywords	Condensed Matter - Materials Science
Subject code	541
Publishing date	2023-04-13
Publishing country	us
Document type	Book ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

Full text online

Full text

Inter-library loan at ZB MED

Your chosen title can be delivered directly to ZB MED Cologne location if you are registered as a user at ZB MED Cologne.

Article: COVID-19 tsunami: the first case of a spinal cord injury patient in Italy

Righi, Gabriele / Del Popolo, Giulio

Spinal Cord Ser Cases

Abstract: INTRODUCTION: We present the report of the first, to our best knowledge, case of COVID-19 in a tetraplegic person. CASE PRESENTATION: A 56-year-old male with AIS A C4 tetraplegia developed fever during the night, without any prodrome. His general ... ...

Abstract	INTRODUCTION: We present the report of the first, to our best knowledge, case of COVID-19 in a tetraplegic person. CASE PRESENTATION: A 56-year-old male with AIS A C4 tetraplegia developed fever during the night, without any prodrome. His general practitioner suspected a urinary tract infection and prescribed him antibiotic therapy. After 2 days of antibiotic therapy the fever still persisted, so the individual was admitted to the local hospital and treated with broad-spectrum antibiotics. After 2 days he was transferred to our spinal unit. Considering the worsening of the chest X-ray and fever despite 48 h of broad-spectrum antibiotic therapy, we strongly suspected viral pneumonia. SARS-CoV-2 was detected and antiviral therapy with Lopinavir/Ritonavir, associated with hydroxychloroquine, was promptly started. Fever ceased after 2 days of therapy. DISCUSSION: Blood test and chest X-ray findings in this patient were similar to previously published findings regarding COVID-19. One difference between this case and the known clinical course of COVID-19 is that did not develop cough. Another interesting feature of our case is that, despite tetraplegia, the clinical course was not severe. Persons with COVID-19 remain asymptomatic, these results underscore the need for rehabilitation and SCI professionals to have a high index of suspicion for COVID-19 in their inpatient and outpatient clients. Only inpatient with fever hase being tested for COVID-19. All new patients are submitted to SARS-COV-2 Test. Moreover, routine testing of patients who have to participate in therapy in common gym areas may be warranted.
Keywords	covid19
Publisher	WHO
Document type	Article
Note	WHO #Covidence: #71854
Database	COVID19

Inter-library loan at ZB MED

Your chosen title can be delivered directly to ZB MED Cologne location if you are registered as a user at ZB MED Cologne.

Details ▾

To top

More links

Kategorien

Order via subito

Inter-library loan at ZB MED

More links

Kategorien

Order via subito

Inter-library loan at ZB MED

Full text online

More links

Kategorien

Order via subito

Inter-library loan at ZB MED

Full text online

More links

Kategorien

Inter-library loan at ZB MED

Full text online

More links

Kategorien

Order via subito

Inter-library loan at ZB MED

More links

Kategorien

Order via subito

Inter-library loan at ZB MED

More links

Kategorien

Order via subito

Inter-library loan at ZB MED

Full text online

More links

Kategorien

Order via subito

Inter-library loan at ZB MED

Full text online

More links

Kategorien

Inter-library loan at ZB MED

Kategorien

Inter-library loan at ZB MED