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Article ; Online: In-situ characterization of discharge products of lithium-oxygen battery using Flow Electrochemical Atomic Force Microscopy.

Cortés, Henry A / Corti, Horacio R

2021 Volume 230, Page(s) 113369

Abstract: The increasing interest in lithium-oxygen batteries (LOB), having the highest theoretical energy densities among the advanced lithium batteries, has triggered the search for in-situ characterization techniques, including Electrochemical Atomic Force ... ...

Abstract	The increasing interest in lithium-oxygen batteries (LOB), having the highest theoretical energy densities among the advanced lithium batteries, has triggered the search for in-situ characterization techniques, including Electrochemical Atomic Force Microscopy (EC-AFM). In this work we addressed the characterization of the formation and decomposition of lithium peroxide (Li
Language	English
Publishing date	2021-08-10
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	1479043-9
ISSN	1879-2723 ; 0304-3991
ISSN (online)	1879-2723
ISSN	0304-3991
DOI	10.1016/j.ultramic.2021.113369
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Article ; Online: Partition Constant of Binary Mixtures for the Equilibrium between a Bulk and a Confined Phase.

Cortés, Henry A / Scherlis, Damian A / Factorovich, Matías H

The journal of physical chemistry. B

2022 Volume 126, Issue 36, Page(s) 6985–6996

Abstract: It is well-known that the thermodynamic, kinetic and structural properties of fluids, and in particular of water and its solutions, can be drastically affected in nanospaces. A possible consequence of nanoscale confinement of a solution is the partial ... ...

Abstract	It is well-known that the thermodynamic, kinetic and structural properties of fluids, and in particular of water and its solutions, can be drastically affected in nanospaces. A possible consequence of nanoscale confinement of a solution is the partial segregation of its components. Thereby, confinement in nanoporous materials (NPM) has been proposed as a means for the separation of mixtures. In fact, separation science can take great advantage of NPM due to the tunability of their properties as a function of nanostructure, morphology, pore size, and surface chemistry. Alcohol-water mixtures are in this context among the most relevant systems. However, a quantitative thermodynamic description allowing for the prediction of the segregation capabilities as a function of the material-solution characteristics is missing. In the present study we attempt to fill this vacancy, by contributing a thermodynamic treatment for the calculation of the partition coefficient in confinement. Combining the multilayer adsorption model for binary mixtures with the Young equation, we conclude that the liquid-vapor surface tension and the contact angle of the pure substances can be used to predict the separation ability of a particular material for a given mixture to a semiquantitative extent. Moreover, we develop a Kelvin-type equation that relates the partition coefficient to the radius of the pore, the contact angle, and the liquid-vapor surface tensions of the constituents. To assess the validity of our thermodynamic formulation, coarse grained molecular dynamics simulations were performed on models of alcohol-water mixtures confined in cylindrical pores. To this end, a coarse-grained amphiphilic molecule was parametrized to be used in conjunction with the mW potential for water. This amphiphilic model reproduces some of the properties of methanol such as enthalpy of vaporization and liquid-vapor surface tension, and the minimum of the excess enthalpy for the aqueous solution. The partition coefficient turns out to be highly dependent on the molar fraction, on the interaction between the components and the confining matrix, and on the radius of the pore. A remarkable agreement between the theory and the simulations is found for pores of radius larger than 15 Å.
Language	English
Publishing date	2022-09-01
Publishing country	United States
Document type	Journal Article
ISSN	1520-5207
ISSN (online)	1520-5207
DOI	10.1021/acs.jpcb.2c03532
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Article ; Online: Skin manifestations in adults with gender dysphoria on hormone treatment in the outpatient clinic of Hospital de San José, Bogotá-Colombia.

Castañeda, Manuel F O / Cortés, Henry T / Isaac, Nicolle G / Cárdenas, Carolina M

International journal of dermatology

2023 Volume 63, Issue 4, Page(s) 474–480

Abstract: Background: Comprehensive healthcare for patients with gender dysphoria includes access to gender-affirming hormone therapy. It may cause cutaneous and adnexal side effects, which often affect quality of life, are underdiagnosed, and do not receive ... ...

Abstract	Background: Comprehensive healthcare for patients with gender dysphoria includes access to gender-affirming hormone therapy. It may cause cutaneous and adnexal side effects, which often affect quality of life, are underdiagnosed, and do not receive timely treatment. The literature on this subject is scarce. The main objective was to identify skin manifestations secondary to hormone treatment in adults with gender dysphoria. Methods: Observational, descriptive, cross-sectional study. A search was performed in the database of patients with gender dysphoria older than 18 years treated at the dermatology and/or endocrinology outpatient clinic of the Hospital de San José de Bogotá in the period 2015-2021. Medical records of patients on hormone therapy with skin manifestations were selected, while patients using other medications as possible triggers were excluded. Results: In total, 85 patients were included, with a predominance of young transgender men (average age was 27 ± 9 years) in whom the main manifestation was acne (87%), followed by androgenetic alopecia and acanthosis nigricans. Transgender women presented more acne, androgenetic alopecia, hypertrichosis, seborrheic dermatitis, and melasma. The majority received treatment, mainly topical therapies. More than half of the patients were treated by the endocrinology and dermatology services. Conclusions: Skin manifestations in patients with gender dysphoria on hormone therapy are frequent, so they should be known and taken into account in the multidisciplinary approach to these patients, which should involve dermatologists. This is the first Colombian and Latin American study focused on documenting skin manifestations in patients with gender dysphoria undergoing hormone therapy.
MeSH term(s)	Male ; Adult ; Humans ; Female ; Adolescent ; Young Adult ; Colombia/epidemiology ; Gender Dysphoria/drug therapy ; Gender Dysphoria/complications ; Cross-Sectional Studies ; Quality of Life ; Alopecia/chemically induced ; Alopecia/drug therapy ; Alopecia/complications ; Acne Vulgaris/drug therapy ; Acne Vulgaris/etiology ; Ambulatory Care Facilities ; Hormones/adverse effects
Chemical Substances	Hormones
Language	English
Publishing date	2023-12-19
Publishing country	England
Document type	Observational Study ; Journal Article
ZDB-ID	412254-9
ISSN	1365-4632 ; 0011-9059 ; 1461-1244
ISSN (online)	1365-4632
ISSN	0011-9059 ; 1461-1244
DOI	10.1111/ijd.16947
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Article: Partition Constant of Binary Mixtures for the Equilibrium between a Bulk and a Confined Phase

Cortés, Henry A. / Scherlis, Damian A. / Factorovich, Matías H.

Journal of physical chemistry. 2022 Sept. 01, v. 126, no. 36

2022

Abstract	It is well-known that the thermodynamic, kinetic and structural properties of fluids, and in particular of water and its solutions, can be drastically affected in nanospaces. A possible consequence of nanoscale confinement of a solution is the partial segregation of its components. Thereby, confinement in nanoporous materials (NPM) has been proposed as a means for the separation of mixtures. In fact, separation science can take great advantage of NPM due to the tunability of their properties as a function of nanostructure, morphology, pore size, and surface chemistry. Alcohol–water mixtures are in this context among the most relevant systems. However, a quantitative thermodynamic description allowing for the prediction of the segregation capabilities as a function of the material-solution characteristics is missing. In the present study we attempt to fill this vacancy, by contributing a thermodynamic treatment for the calculation of the partition coefficient in confinement. Combining the multilayer adsorption model for binary mixtures with the Young equation, we conclude that the liquid–vapor surface tension and the contact angle of the pure substances can be used to predict the separation ability of a particular material for a given mixture to a semiquantitative extent. Moreover, we develop a Kelvin-type equation that relates the partition coefficient to the radius of the pore, the contact angle, and the liquid–vapor surface tensions of the constituents. To assess the validity of our thermodynamic formulation, coarse grained molecular dynamics simulations were performed on models of alcohol–water mixtures confined in cylindrical pores. To this end, a coarse-grained amphiphilic molecule was parametrized to be used in conjunction with the mW potential for water. This amphiphilic model reproduces some of the properties of methanol such as enthalpy of vaporization and liquid–vapor surface tension, and the minimum of the excess enthalpy for the aqueous solution. The partition coefficient turns out to be highly dependent on the molar fraction, on the interaction between the components and the confining matrix, and on the radius of the pore. A remarkable agreement between the theory and the simulations is found for pores of radius larger than 15 Å.
Keywords	adsorption ; aqueous solutions ; contact angle ; enthalpy ; equations ; methanol ; models ; mole fraction ; molecular dynamics ; nanopores ; porosity ; prediction ; surface tension ; volatilization
Language	English
Dates of publication	2022-0901
Size	p. 6985-6996.
Publishing place	American Chemical Society
Document type	Article
ISSN	1520-5207
DOI	10.1021/acs.jpcb.2c03532
Database	NAL-Catalogue (AGRICOLA)

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Article: On the interfacial lithium dynamics in Li7La3Zr2O12:poly(ethylene oxide) (LiTFSI) composite polymer-ceramic solid electrolytes under strong polymer phase confinement

Bonilla, Mauricio Rincon / García Daza, Fabián A. / Cortés, Henry A. / Carrasco, Javier / Akhmatskaya, Elena

Journal of colloid and interface science. 2022 Oct., v. 623

2022

Abstract: A better molecular-level understanding of Li⁺ diffusion through ceramic/polymer interfaces is key to design high-performance composite solid-state electrolytes for all-solid-state batteries. By considering as a case study a composite electrolyte ... ...

Abstract	A better molecular-level understanding of Li⁺ diffusion through ceramic/polymer interfaces is key to design high-performance composite solid-state electrolytes for all-solid-state batteries. By considering as a case study a composite electrolyte constituted by Li⁺ conductive Ga³⁺ doped-Li₇La₃Zr₂O₁₂ (LLZO) garnet fillers embedded within a poly(ethylene oxide) and lithium bis(trifluoromethanesulfonyl) imide polymer matrix (PEO(LiTFSI)), we investigate Li⁺ interfacial dynamics at conditions of high polymer confinement, with large filler particles in a fully amorphous polymer phase. Such confinement scenario is aimed to capture the conditions near the percolation threshold, at which conductivity enhancement is often reported. Using molecular dynamics simulations combined with the generalized shadow hybrid Monte Carlo method and umbrella sampling calculations, we explain why the hopping towards the polymer phase of the Li⁺ sitting on the LLZO surface is thermodynamically hindered, while hopping of Li⁺ from the polymer to the LLZO is kinetically slowed-down by rigidified polymer near the interface. In addition, we demonstrate how the overlap of LLZO-bound polymer chains at high confinement leads to a decrease of Li⁺ diffusivity within the interstitial space. We put forward that these insights are relevant to interpret the variation of ionic conductivity as a function of volume fraction and filler particle sizes also below the glass transition temperature of the polymer, at the typical operating conditions of lithium ion batteries.
Keywords	Monte Carlo method ; case studies ; ceramics ; diffusivity ; electrolytes ; glass transition temperature ; lithium ; molecular dynamics ; thermodynamics
Language	English
Dates of publication	2022-10
Size	p. 870-882.
Publishing place	Elsevier Inc.
Document type	Article
ZDB-ID	241597-5
ISSN	1095-7103 ; 0021-9797
ISSN (online)	1095-7103
ISSN	0021-9797
DOI	10.1016/j.jcis.2022.05.069
Database	NAL-Catalogue (AGRICOLA)

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Article ; Online: On the interfacial lithium dynamics in Li

Bonilla, Mauricio Rincon / García Daza, Fabián A / Cortés, Henry A / Carrasco, Javier / Akhmatskaya, Elena

Journal of colloid and interface science

2022 Volume 623, Page(s) 870–882

Abstract: A better molecular-level understanding of ... ...

Abstract	A better molecular-level understanding of Li
Language	English
Publishing date	2022-05-16
Publishing country	United States
Document type	Journal Article
ZDB-ID	241597-5
ISSN	1095-7103 ; 0021-9797
ISSN (online)	1095-7103
ISSN	0021-9797
DOI	10.1016/j.jcis.2022.05.069
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Article ; Online: Pituitary gigantism: a case series from Hospital de San José (Bogotá, Colombia).

García, William Rojas / Cortes, Henry Tovar / Romero, Andrés Florez

Archives of endocrinology and metabolism

2019 Volume 63, Issue 4, Page(s) 385–393

Abstract: Introduction: Gigantism is a rare pediatric disease characterized by increased production of growth hormone (GH) before epiphyseal closure, that manifests clinically as tall stature, musculoskeletal abnormalities, and multiple comorbidities.: ... ...

Abstract	Introduction: Gigantism is a rare pediatric disease characterized by increased production of growth hormone (GH) before epiphyseal closure, that manifests clinically as tall stature, musculoskeletal abnormalities, and multiple comorbidities. Materials and methods: Case series of 6 male patients with gigantism evaluated at the Endocrinology Service of Hospital de San José (Bogotá, Colombia) between 2010 and 2016. Results: All patients had macroadenomas and their mean final height was 2.01 m. The mean age at diagnosis was 16 years, and the most common symptoms were headache (66%) and hyperhidrosis (66%). All patients had acral changes, and one had visual impairment secondary to compression of the optic chiasm. All patients underwent surgery, and 5 (83%) required additional therapy for biochemical control, including radiotherapy (n = 4, 66%), somatostatin analogues (n = 5, 83%), cabergoline (n = 3, 50%), and pegvisomant (n = 2, 33%). Three patients (50%) achieved complete biochemical control, while 2 patients showed IGF-1 normalization with pegvisomant. Two patients were genetically related and presented a mutation in the aryl hydrocarbon receptor-interacting protein (AIP) gene (pathogenic variant, c.504G>A in exon 4, p.Trp168), fulfilling the diagnostic criteria of familial isolated pituitary adenoma. Conclusions:* This is the largest case series of patients with gigantism described to date in Colombia. Transsphenoidal surgery was the first-choice procedure, but additional pharmacological therapy was usually required. Mutations in the AIP gene should be considered in familial cases of GH-producing adenomas.
MeSH term(s)	Adenoma/diagnosis ; Adenoma/therapy ; Adolescent ; Colombia ; Follow-Up Studies ; Gigantism/diagnosis ; Gigantism/therapy ; Growth Hormone/blood ; Growth Hormone-Secreting Pituitary Adenoma/genetics ; Humans ; Insulin-Like Growth Factor I/analysis ; Intracellular Signaling Peptides and Proteins/genetics ; Male ; Mutation/genetics ; Pedigree ; Pituitary Neoplasms/diagnosis ; Pituitary Neoplasms/therapy ; Retrospective Studies ; Sex Distribution ; Treatment Outcome ; Young Adult
Chemical Substances	Intracellular Signaling Peptides and Proteins ; aryl hydrocarbon receptor-interacting protein ; Insulin-Like Growth Factor I (67763-96-6) ; Growth Hormone (9002-72-6)
Language	English
Publishing date	2019-07-29
Publishing country	Brazil
Document type	Journal Article
ISSN	2359-4292
ISSN (online)	2359-4292
DOI	10.20945/2359-3997000000150
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Article: Understanding the Effect of Doping on the Charging Performance of Li–O₂ Batteries: The Role of Hole Polarons and Lithium Vacancies

Cortes, Henry A. / Zapata, Jhon F. / Barral, María A. / Vildosola, Verónica L.

Journal of physical chemistry. 2021 Aug. 30, v. 125, no. 35

2021

Abstract: In this work, we perform density functional theory calculations using the hybrid functional Heyd–Scuseria–Ernzerhof to properly describe the insulating nature of lithium peroxide and study its more energetically favorable surfaces [0001], [11̅00], and [ ... ...

Abstract	In this work, we perform density functional theory calculations using the hybrid functional Heyd–Scuseria–Ernzerhof to properly describe the insulating nature of lithium peroxide and study its more energetically favorable surfaces [0001], [11̅00], and [112̅0]. We then analyze how the insulating nature and the correct description of the hole polarons at the Li₂O₂ surfaces affect the electrochemical steps of Li₂O₂ decomposition in the charging process of Li–O₂ batteries. We then study the effect of doping and propose possible scenarios in which ions such as Na⁺ or K⁺ dissolved in the electrolyte can dope and promote the generation of Li vacancies in Li₂O₂ that, in turn, reduce the energy barrier of the limiting steps of Li₂O₂ decomposition. The origin of this reduction are the lattice distortions associated with doping that weaken the surface binding.
Keywords	density functional theory ; electrochemistry ; energy ; lithium ; physical chemistry
Language	English
Dates of publication	2021-0830
Size	p. 19156-19163.
Publishing place	American Chemical Society
Document type	Article
ISSN	1932-7455
DOI	10.1021/acs.jpcc.1c05313
Database	NAL-Catalogue (AGRICOLA)

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Article ; Online: State of the science: cannabis and cannabinoids in palliative medicine-the potential.

Roychoudhury, Priodarshi / Kapoor, Astha Koolwal / Walsh, Declan / Cortes, Henry / Clarke, Hance

BMJ supportive & palliative care

2021 Volume 11, Issue 3, Page(s) 299–302

Abstract: Cannabinoids are chemicals derived naturally from the cannabis plant or are synthetically manufactured. They interact directly with cannabinoid receptors or share chemical similarity with endocannabinoids (or both). Within palliative medicine, ... ...

Abstract	Cannabinoids are chemicals derived naturally from the cannabis plant or are synthetically manufactured. They interact directly with cannabinoid receptors or share chemical similarity with endocannabinoids (or both). Within palliative medicine, cannabinoid receptors (CB1 and CB2) may modulate some cancer symptoms: appetite, chemotherapy-induced nausea and vomiting, and mood, pain and sleep disorders. Opioid and cannabinoid receptors have overlapping neuroanatomical receptor distribution, particularly at the dorsal horn, dorsal striatum and locus coeruleus. They have a favourable safety profile compared with opioids, and cannabis-based medicines help chronic pain. While cannabidiol (CBD) has anti-inflammatory properties, tetrahydrocannabinol (THC) is the psychoactive substance for issues such as mood and sleep. Nabiximols (Sativex), a CBD:THC combination, is Food and Drug Administration approved for some multiple sclerosis symptoms and epilepsy. There has been a swift societal evolution in attitudes about use of cannabis and cannabinoid medicines for chronic pain. In the USA, 33 states have now legalised prescription-based medical cannabis for several medical conditions; Canada has had legislation since 2001 authorising medical use. The European Union (EU) recently declared all EU citizens must have access to medical cannabis over the next 4 years. The integration into medicine and routine clinical use of cannabis is fraught with information gaps, regulatory issues and scarcity of research. Each patient should have a comprehensive assessment and risk-benefit discussion before any cannabis-based intervention to avoid possible complications such as hallucinations, psychosis and potential cardiac harm.
MeSH term(s)	Cannabinoids/therapeutic use ; Cannabis ; Chronic Pain/drug therapy ; Humans ; Medical Marijuana/therapeutic use ; Palliative Medicine ; United States
Chemical Substances	Cannabinoids ; Medical Marijuana
Language	English
Publishing date	2021-04-26
Publishing country	England
Document type	Editorial
ISSN	2045-4368
ISSN (online)	2045-4368
DOI	10.1136/bmjspcare-2021-002888
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Article ; Online: Effect of halogen dopants on the properties of Li

Cortes, Henry A / Vildosola, Verónica L / Barral, María Andrea / Corti, Horacio R

Physical chemistry chemical physics : PCCP

2018 Volume 20, Issue 25, Page(s) 16924–16931

Abstract: There is consensus on the fact that one of the main limitations of Li air batteries (LABs) is the insulating character of Li2O2 and that it becomes crucial to explore new conduction paths. Recent studies indicate that doping with chloride increases the ... ...

Abstract	There is consensus on the fact that one of the main limitations of Li air batteries (LABs) is the insulating character of Li2O2 and that it becomes crucial to explore new conduction paths. Recent studies indicate that doping with chloride increases the ion conductivity of Li2O2, although to a much lesser extent than expected if chloride is assumed to be a donor dopant [Gerbig et al., Adv. Mater., 2013, 25, 3129]. Subsequently, it has been shown that the addition of lithium chloride, LiCl, to the battery electrolyte increases its discharge capacity, while this effect is not observed with other halogens [Matsuda et al., J. Phys. Chem. C, 2016, 120, 13360]. This fact was attributed to an increase in the conductivity of Cl-doped Li2O2, but still the responsible mechanism is not clear. In this work, we have performed first principle calculations to study the effect of the different halogens (F, Cl, Br, I) as substitutional defects on the electronic and transport properties of Li2O2. We have calculated the formation energies of the different defects and impurities and we analysed how they affect the activation barriers and diffusion coefficients. We have demonstrated that the chloride does not behave like a donor dopant, thus explaining the meager increase of the ionic conductivity experimentally observed, and neither does it promote polaron formation and mobility. We have also found that chloride does not present any special behaviour among the halogen series. Our results reveal that all the studied configurations associated with the halogen defects do not derive metallic states nor extra polarons that would increase considerably the electronic conductivity. This is mainly due to the ionic characteristics of the Li2O2 crystal and the capability of the oxygen dimers to adapt its valence rather than to the nature of the dopant itself.
Language	English
Publishing date	2018-06-27
Publishing country	England
Document type	Journal Article
ZDB-ID	1476244-4
ISSN	1463-9084 ; 1463-9076
ISSN (online)	1463-9084
ISSN	1463-9076
DOI	10.1039/c8cp01211c
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