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Article ; Online: Evaluating quantum entanglement generation in two-dimensional graphene systems through lithium ion interactions: A DFT-based study.

Silva, Lucas de S / Colherinhas, Guilherme / Cardoso, Wesley B

2024 Volume 45, Issue 13, Page(s) 1002–1007

Abstract: In this article, we employed concepts from Density Functional Theory to investigate the interaction energy behavior between the fragments of two-dimensional systems composed of graphene-based materials and lithium ions. Specifically, the proposed system ... ...

Abstract	In this article, we employed concepts from Density Functional Theory to investigate the interaction energy behavior between the fragments of two-dimensional systems composed of graphene-based materials and lithium ions. Specifically, the proposed system consists of two graphene sheets separated by a controlled distance (face-to-face), with a lithium ion positioned at the center of this separation. Additionally, we examined potential electronic transitions within these systems and assessed the feasibility of quantum entanglement generation and manipulation. Our findings revealed that the interaction energies within the analyzed systems exhibited behavior akin to that described by the Lennard-Jones potential, which characterizes systems with favorable energy for their formation. The results further yielded estimates for the constants
Language	English
Publishing date	2024-01-11
Publishing country	United States
Document type	Journal Article
ZDB-ID	1479181-X
ISSN	1096-987X ; 0192-8651
ISSN (online)	1096-987X
ISSN	0192-8651
DOI	10.1002/jcc.27303
Database	MEDical Literature Analysis and Retrieval System OnLINE

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Article: Molecular dynamics simulation of docking structures of SARS-CoV-2 main protease and HIV protease inhibitors.

Cardoso, Wesley B / Mendanha, Sebastião A

Journal of molecular structure

2020 Volume 1225, Page(s) 129143

Abstract: In this paper we investigate 10 different HIV protease inhibitors (HPIs) as possible repurposed-drugs candidates against SARS-CoV-2. To this end, we execute molecular docking and molecular dynamics simulations. ... ...

Abstract	In this paper we investigate 10 different HIV protease inhibitors (HPIs) as possible repurposed-drugs candidates against SARS-CoV-2. To this end, we execute molecular docking and molecular dynamics simulations. The
Keywords	covid19
Language	English
Publishing date	2020-08-23
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	194476-9
ISSN	0022-2860 ; 0377-046X
ISSN	0022-2860 ; 0377-046X
DOI	10.1016/j.molstruc.2020.129143
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Article ; Online: Anderson localization induced by interaction in linearly coupled binary Bose-Einstein condensates.

Dos Santos, Mateus C P / Cardoso, Wesley B

Physical review. E

2021 Volume 103, Issue 5-1, Page(s) 52210

Abstract: In this paper we investigate the existence of Anderson localization induced by one specific component of a binary Bose-Einstein condensate (BEC). We use a mean-field approach, in which each type of particle of the BEC is considered as a specific field, ... ...

Abstract	In this paper we investigate the existence of Anderson localization induced by one specific component of a binary Bose-Einstein condensate (BEC). We use a mean-field approach, in which each type of particle of the BEC is considered as a specific field, and we consider that only one kind of particle is subject to a quasiperiodic potential, which induces a localization in the partner field. We assume the system is under a Rabi coupling, i.e., a linear coupling mixing the two-field component, and we investigate the conditions associated with the parameter values of the system for observing the localization. Numerical simulations are performed, confirming the existence of Anderson localization in the partner field.
Language	English
Publishing date	2021-06-17
Publishing country	United States
Document type	Journal Article
ZDB-ID	2844562-4
ISSN	2470-0053 ; 2470-0045
ISSN (online)	2470-0053
ISSN	2470-0045
DOI	10.1103/PhysRevE.103.052210
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Article: Molecular dynamics simulation of docking structures of SARS-CoV-2 main protease and HIV protease inhibitors

Cardoso, Wesley B. / Mendanha, Sebastião A.

Journal of Molecular Structure

Abstract: In this paper we investigate 10 different HIV protease inhibitors (HPIs) as possible repurposed-drugs candidates against SARS-CoV-2 To this end, we execute molecular docking and molecular dynamics simulations The in silico data demonstrated that despite ... ...

Abstract	In this paper we investigate 10 different HIV protease inhibitors (HPIs) as possible repurposed-drugs candidates against SARS-CoV-2 To this end, we execute molecular docking and molecular dynamics simulations The in silico data demonstrated that despite their molecular differences, all HPIs presented a similar behavior for the parameters analyzed, with the exception of Nelfinavir that showed better results for most of the molecular dynamics parameters in comparison with the N3 inhibitor
Keywords	covid19
Publisher	WHO
Document type	Article
Note	WHO #Covidence: #726797
Database	COVID19

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Article ; Online: Microsurgical Resection of Dumbbell-Shaped Jugular Foramen Schwannoma Using the Transmastoid Presigmoid Approach: 2-Dimensional Operative Video.

Ceccato, Guilherme H W / Dos Santos Neto, Pedro H / de Oliveira, Júlia S / Schrenk, Wesley F / Cardoso, Larissa S / Carvalho, Nick D / Coelho, Vinicius N / Hasegawa, Hugo A / Bubicz, Joao V R / Borba, Luis A B

Operative neurosurgery (Hagerstown, Md.)

2023 Volume 25, Issue 2, Page(s) e82–e83

MeSH term(s)	Humans ; Jugular Foramina ; Head and Neck Neoplasms ; Magnetic Resonance Imaging ; Neurilemmoma/diagnostic imaging ; Neurilemmoma/surgery
Language	English
Publishing date	2023-05-03
Publishing country	United States
Document type	Video-Audio Media ; Journal Article
ZDB-ID	2767575-0
ISSN	2332-4260 ; 2332-4252
ISSN (online)	2332-4260
ISSN	2332-4252
DOI	10.1227/ons.0000000000000732
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Article ; Online: Double-layer Bose-Einstein condensates: A quantum phase transition in the transverse direction, and reduction to two dimensions.

Dos Santos, Mateus C P / Malomed, Boris A / Cardoso, Wesley B

Physical review. E

2020 Volume 102, Issue 4-1, Page(s) 42209

Abstract: We revisit the problem of the reduction of the three-dimensional (3D) dynamics of Bose-Einstein condensates, under the action of strong confinement in one direction (z), to a 2D mean-field equation. We address this problem for the confining potential ... ...

Abstract	We revisit the problem of the reduction of the three-dimensional (3D) dynamics of Bose-Einstein condensates, under the action of strong confinement in one direction (z), to a 2D mean-field equation. We address this problem for the confining potential with a singular term, viz., V_{z}(z)=2z^{2}+ζ^{2}/z^{2}, with constant ζ. A quantum phase transition is induced by the latter term, between the ground state (GS) of the harmonic oscillator and the 3D condensate split in two parallel noninteracting layers, which is a manifestation of the "superselection" effect. A realization of the respective physical setting is proposed, making use of resonant coupling to an optical field, with the resonance detuning modulated along z. The reduction of the full 3D Gross-Pitaevskii equation (GPE) to the 2D nonpolynomial Schrödinger equation (NPSE) is based on the factorized ansatz, with the z -dependent multiplier represented by an exact GS solution of the 1D Schrödinger equation with potential V_{z}(z). For both repulsive and attractive signs of the nonlinearity, the 2D NPSE produces GS and vortex states, that are virtually indistinguishable from the respective numerical solutions provided by full 3D GPE. In the case of the self-attraction, the threshold for the onset of the collapse, predicted by the 2D NPSE, is also virtually identical to its counterpart obtained from the 3D equation. In the same case, stability and instability of vortices with topological charge S=1, 2, and 3 are considered in detail. Thus, the procedure of the spatial-dimension reduction, 3D → 2D, produces very accurate results, and it may be used in other settings.
Language	English
Publishing date	2020-11-20
Publishing country	United States
Document type	Journal Article
ZDB-ID	2844562-4
ISSN	2470-0053 ; 2470-0045
ISSN (online)	2470-0053
ISSN	2470-0045
DOI	10.1103/PhysRevE.102.042209
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Article ; Online: Robust Entanglement Generation in Lithium Ions Mediated by Graphene Quantum Dots Interaction.

Cardoso, Wesley B / Avelar, Ardiley T / de Almeida, Norton G / Colherinhas, Guilherme

The journal of physical chemistry. A

2019 Volume 123, Issue 9, Page(s) 1790–1795

Abstract: In this work, we propose and investigate numerically the electronic transitions of a new system useful for quantum information tasks composed by a graphene quantum dot (GQD) interacting with two ... ...

Abstract	In this work, we propose and investigate numerically the electronic transitions of a new system useful for quantum information tasks composed by a graphene quantum dot (GQD) interacting with two Li
Language	English
Publishing date	2019-02-21
Publishing country	United States
Document type	Journal Article
ISSN	1520-5215
ISSN (online)	1520-5215
DOI	10.1021/acs.jpca.8b11354
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Article ; Online: Localized solutions of Lugiato-Lefever equations with focused pump.

Cardoso, Wesley B / Salasnich, Luca / Malomed, Boris A

Scientific reports

2017 Volume 7, Issue 1, Page(s) 16876

Abstract: Lugiato-Lefever (LL) equations in one and two dimensions (1D and 2D) accurately describe the dynamics of optical fields in pumped lossy cavities with the intrinsic Kerr nonlinearity. The external pump is usually assumed to be uniform, but it can be made ... ...

Abstract	Lugiato-Lefever (LL) equations in one and two dimensions (1D and 2D) accurately describe the dynamics of optical fields in pumped lossy cavities with the intrinsic Kerr nonlinearity. The external pump is usually assumed to be uniform, but it can be made tightly focused too-in particular, for building small pixels. We obtain solutions of the LL equations, with both the focusing and defocusing intrinsic nonlinearity, for 1D and 2D confined modes supported by the localized pump. In the 1D setting, we first develop a simple perturbation theory, based in the sech ansatz, in the case of weak pump and loss. Then, a family of exact analytical solutions for spatially confined modes is produced for the pump focused in the form of a delta-function, with a nonlinear loss (two-photon absorption) added to the LL model. Numerical findings demonstrate that these exact solutions are stable, both dynamically and structurally (the latter means that stable numerical solutions close to the exact ones are found when a specific condition, necessary for the existence of the analytical solution, does not hold). In 2D, vast families of stable confined modes are produced by means of a variational approximation and full numerical simulations.
Language	English
Publishing date	2017-12-04
Publishing country	England
Document type	Journal Article ; Research Support, U.S. Gov't, Non-P.H.S. ; Research Support, Non-U.S. Gov't
ZDB-ID	2615211-3
ISSN	2045-2322 ; 2045-2322
ISSN (online)	2045-2322
ISSN	2045-2322
DOI	10.1038/s41598-017-16981-3
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Article ; Online: Localized solutions of Lugiato-Lefever equations with focused pump

Wesley B. Cardoso / Luca Salasnich / Boris A. Malomed

Scientific Reports, Vol 7, Iss 1, Pp 1-

2017 Volume 11

Abstract: Abstract Lugiato-Lefever (LL) equations in one and two dimensions (1D and 2D) accurately describe the dynamics of optical fields in pumped lossy cavities with the intrinsic Kerr nonlinearity. The external pump is usually assumed to be uniform, but it can ...

Abstract	Abstract Lugiato-Lefever (LL) equations in one and two dimensions (1D and 2D) accurately describe the dynamics of optical fields in pumped lossy cavities with the intrinsic Kerr nonlinearity. The external pump is usually assumed to be uniform, but it can be made tightly focused too–in particular, for building small pixels. We obtain solutions of the LL equations, with both the focusing and defocusing intrinsic nonlinearity, for 1D and 2D confined modes supported by the localized pump. In the 1D setting, we first develop a simple perturbation theory, based in the sech ansatz, in the case of weak pump and loss. Then, a family of exact analytical solutions for spatially confined modes is produced for the pump focused in the form of a delta-function, with a nonlinear loss (two-photon absorption) added to the LL model. Numerical findings demonstrate that these exact solutions are stable, both dynamically and structurally (the latter means that stable numerical solutions close to the exact ones are found when a specific condition, necessary for the existence of the analytical solution, does not hold). In 2D, vast families of stable confined modes are produced by means of a variational approximation and full numerical simulations.
Keywords	Medicine ; R ; Science ; Q
Subject code	518
Language	English
Publishing date	2017-12-01T00:00:00Z
Publisher	Nature Publishing Group
Document type	Article ; Online
Database	BASE - Bielefeld Academic Search Engine (life sciences selection)

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Article ; Online: Efficacy and safety of baricitinib for the treatment of hospitalised adults with COVID-19 (COV-BARRIER): a randomised, double-blind, parallel-group, placebo-controlled phase 3 trial.

Marconi, Vincent C / Ramanan, Athimalaipet V / de Bono, Stephanie / Kartman, Cynthia E / Krishnan, Venkatesh / Liao, Ran / Piruzeli, Maria Lucia B / Goldman, Jason D / Alatorre-Alexander, Jorge / de Cassia Pellegrini, Rita / Estrada, Vicente / Som, Mousumi / Cardoso, Anabela / Chakladar, Sujatro / Crowe, Brenda / Reis, Paulo / Zhang, Xin / Adams, David H / Ely, E Wesley

The Lancet. Respiratory medicine

2021 Volume 9, Issue 12, Page(s) 1407–1418

Abstract: Background: Baricitinib is an oral selective Janus kinase 1/2 inhibitor with known anti-inflammatory properties. This study evaluates the efficacy and safety of baricitinib in combination with standard of care for the treatment of hospitalised adults ... ...

Abstract	Background: Baricitinib is an oral selective Janus kinase 1/2 inhibitor with known anti-inflammatory properties. This study evaluates the efficacy and safety of baricitinib in combination with standard of care for the treatment of hospitalised adults with COVID-19. Methods: In this phase 3, double-blind, randomised, placebo-controlled trial, participants were enrolled from 101 centres across 12 countries in Asia, Europe, North America, and South America. Hospitalised adults with COVID-19 receiving standard of care were randomly assigned (1:1) to receive once-daily baricitinib (4 mg) or matched placebo for up to 14 days. Standard of care included systemic corticosteroids, such as dexamethasone, and antivirals, including remdesivir. The composite primary endpoint was the proportion who progressed to high-flow oxygen, non-invasive ventilation, invasive mechanical ventilation, or death by day 28, assessed in the intention-to-treat population. All-cause mortality by day 28 was a key secondary endpoint, and all-cause mortality by day 60 was an exploratory endpoint; both were assessed in the intention-to-treat population. Safety analyses were done in the safety population defined as all randomly allocated participants who received at least one dose of study drug and who were not lost to follow-up before the first post-baseline visit. This study is registered with ClinicalTrials.gov, NCT04421027. Findings: Between June 11, 2020, and Jan 15, 2021, 1525 participants were randomly assigned to the baricitinib group (n=764) or the placebo group (n=761). 1204 (79·3%) of 1518 participants with available data were receiving systemic corticosteroids at baseline, of whom 1099 (91·3%) were on dexamethasone; 287 (18·9%) participants were receiving remdesivir. Overall, 27·8% of participants receiving baricitinib and 30·5% receiving placebo progressed to meet the primary endpoint (odds ratio 0·85 [95% CI 0·67 to 1·08], p=0·18), with an absolute risk difference of -2·7 percentage points (95% CI -7·3 to 1·9). The 28-day all-cause mortality was 8% (n=62) for baricitinib and 13% (n=100) for placebo (hazard ratio [HR] 0·57 [95% CI 0·41-0·78]; nominal p=0·0018), a 38·2% relative reduction in mortality; one additional death was prevented per 20 baricitinib-treated participants. The 60-day all-cause mortality was 10% (n=79) for baricitinib and 15% (n=116) for placebo (HR 0·62 [95% CI 0·47-0·83]; p=0·0050). The frequencies of serious adverse events (110 [15%] of 750 in the baricitinib group vs 135 [18%] of 752 in the placebo group), serious infections (64 [9%] vs 74 [10%]), and venous thromboembolic events (20 [3%] vs 19 [3%]) were similar between the two groups. Interpretation: Although there was no significant reduction in the frequency of disease progression overall, treatment with baricitinib in addition to standard of care (including dexamethasone) had a similar safety profile to that of standard of care alone, and was associated with reduced mortality in hospitalised adults with COVID-19. Funding: Eli Lilly and Company. Translations: For the French, Japanese, Portuguese, Russian and Spanish translations of the abstract see Supplementary Materials section.
MeSH term(s)	Adenosine Monophosphate/analogs & derivatives ; Adrenal Cortex Hormones ; Adult ; Alanine/analogs & derivatives ; Antiviral Agents ; Asia ; Azetidines/therapeutic use ; COVID-19/drug therapy ; Dexamethasone ; Double-Blind Method ; Europe ; Humans ; North America ; Purines/therapeutic use ; Pyrazoles/therapeutic use ; SARS-CoV-2 ; South America ; Sulfonamides/therapeutic use ; Treatment Outcome
Chemical Substances	Adrenal Cortex Hormones ; Antiviral Agents ; Azetidines ; Purines ; Pyrazoles ; Sulfonamides ; remdesivir (3QKI37EEHE) ; Adenosine Monophosphate (415SHH325A) ; Dexamethasone (7S5I7G3JQL) ; baricitinib (ISP4442I3Y) ; Alanine (OF5P57N2ZX)
Language	English
Publishing date	2021-09-01
Publishing country	England
Document type	Clinical Trial, Phase III ; Journal Article ; Multicenter Study ; Randomized Controlled Trial
ZDB-ID	2686754-0
ISSN	2213-2619 ; 2213-2600
ISSN (online)	2213-2619
ISSN	2213-2600
DOI	10.1016/S2213-2600(21)00331-3
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