Neurologic manifestations of Long COVID in Colombia: a comparative analysis of post-hospitalization vs. non-hospitalized patients.

Objective: To analyze patient-reported outcomes, cognitive function, and persistent symptoms in patients with neurologic post-acute sequelae of SARS-CoV-2 infection (Neuro-PASC) in Colombia. Methods: We recruited patients with laboratory-confirmed COVID-19 and PASC symptoms lasting more than 6 weeks at the CES University and CES Clinic (Medellín, Colombia). We included 50 post-hospitalization Neuro-PASC (PNP) and 50 non-hospitalized Neuro-PASC (NNP) patients. Long-COVID symptoms, cognitive (NIH Toolbox v2.1-Spanish for 18+), patient-reported (PROMIS) outcomes, and relevant medical history were evaluated. Statistical analyses were performed via generalized linear models. Results: Overall, brain fog (60%), myalgia (42%), and numbness or tingling (41%) were the most common neurological symptoms, while fatigue (74%), sleep problems (46%), and anxiety (44%) were the most common non-neurological symptoms. Compared to NNP, PNP patients showed a higher frequency of abnormal neurological exam findings (64% vs. 42%, p = 0.028). Both groups had impaired quality of life (QoL) in domains of cognition, fatigue, anxiety depression and sleep disturbance, and performed worse on processing speed and attention than a normative population. In addition, NNP patients performed worse on executive function than PNP patients (T-score 42.6 vs. 48.5, p = 0.012). PASC symptoms of anxiety and depression were associated with worse QoL and cognitive outcomes. Brain fog and fatigue remained persistent symptoms across all durations of Long COVID. Conclusion: Our findings highlight the high incidence and heterogeneity of the neurologic symptoms and impacts of Long COVID even more than 2 years from disease onset. Early detection, emotional support and targeted management of Neuro-PASC patients are warranted.

Minimum conditions for accurate modeling of urea production via co-electrolysis.

Co-electrolysis of carbon oxides and nitrogen oxides promise to simultaneously help restore the balance of the C and N cycles while producing valuable chemicals such as urea. However, co-electrolysis processes are still largely inefficient and numerous knowledge voids persist. Here, we provide a solid thermodynamic basis for modelling urea production via co-electrolysis. First, we determine the energetics of aqueous urea produced under electrochemical conditions based on experimental data, which enables an accurate assessment of equilibrium potentials and overpotentials. Next, we use density functional theory (DFT) calculations to model various co-electrolysis reactions producing urea. The calculated reaction free energies deviate significantly from experimental values for well-known GGA, meta-GGA and hybrid functionals. These deviations stem from errors in the DFT-calculated energies of molecular reactants and products. In particular, the error for urea is approximately -0.25 ± 0.10 eV. Finally, we show that all these errors introduce large inconsistencies in the calculated free-energy diagrams of urea production via co-electrolysis, such that gas-phase corrections are strongly advised.

Automated versus Chemically Intuitive Deconvolution of Density Functional Theory (DFT)-Based Gas-Phase Errors in Nitrogen Compounds.

Catalysis models involving metal surfaces and gases are regularly based on density functional theory (DFT) calculations at the generalized gradient approximation (GGA). Such models may have large errors in view of the poor DFT-GGA description of gas-phase molecules with multiple bonds. Here, we analyze three correction schemes for the PBE-calculated Gibbs energies of formation of 13 nitrogen compounds. The first scheme is sequential and based on chemical intuition, the second one is an automated optimization based on chemical bonds, and the third one is an automated optimization that capitalizes on the errors found by the first scheme. The mean and maximum absolute errors are brought down close to chemical accuracy by the third approach by correcting the inaccuracies in the NNO and ONO backbones and those in N-O and N-N bonds. This work shows that chemical intuition and automated optimization can be combined to swiftly enhance the predictiveness of DFT-GGA calculations of gases.

Reducing cadmium bioaccumulation in Theobroma cacao using biochar: basis for scaling-up to field.

The intake of Cd-enriched food is the main Cd pathway for the nonsmoking population. In some cases, Cd bioaccumulates in edible plant parts which comprise risk to consumers, because of Cd is a harmful heavy metal that can cause potent environmental and health hazards. For instance, Cd enrichment of cacao seeds have led to Cd enrichment of cacao-based products. In Latin America and the Caribbean, Cd bioaccumulation in cacao seeds occurs in different regions with diverse edaphoclimatic conditions, which makes it difficult to select soil remediation alternatives. Limited resources require that potential amendments must be carefully investigated through laboratory and/or greenhouse conditions before scaling up to field experiments. In this study, we evaluated the effectiveness of four biochars: coffee-, quinoa-, and inoculated- and palm-biochar, derived from three feedstocks: coffee husk, quinoa straw, and oil palm residues, respectively. Biochars were applied in two rates (1 and 2% w/w) in two soils, one moderately acidic and one slightly alkaline (Cd-spiked and non-spiked). CCN-51 cacao plants were used for the greenhouse experiment. After 130 days, biometric parameters, the bioavailability of Cd in the soil, and the concentration of Cd and mineral nutrients in the plants were measured. Quinoa biochar at the 2% significantly decreased (P < 0.01), by ∼71%, bioavailable Cd in moderately acidic and slightly alkaline soils, and leaf-Cd by ∼48%. Soil pH, electrical conductivity, and effective cation exchange capacity were significantly (P < 0.01) correlated with bioavailable soil and leaf-Cd. Biochar characteristics, such as ash contents, basic cations content, and surface functional groups could be used as indicators for the selection of biochars to reduce Cd uptake by cacao. Additionally, application of quinoa derived biochar provided P and K, which could increase productivity to offset mitigation costs. Overall, incorporation of quinoa biochar at 2% rate is effective for lowering bioavailable Cd in different soil types which reduces leaf-Cd in cacao plants.

Disfunción urinaria en la enfermedad de Parkinson: una revisión práctica / Urinary dysfunction in Parkinson's disease: a practical review

Resumen La enfermedad de Parkinson (EP) es una enfermedad multisistémica de naturaleza neurodegenerativa, que clínicamente se caracteriza por presencia de síntomas motores como bradicinesia, rigidez, temblor en reposo e inestabilidad postural. Sin embargo, también pueden estar presentes síntomas no motores que constituyen trastornos del ánimo, trastornos del sueño, disfunción cognitiva o disfunción autonómica. Dentro de las disfunciones autonómicas, los síntomas urinarios se han documentado en los pacientes con enfermedad de Parkinson. Los síntomas urinarios más comunes son la nicturia, urgencia urinaria, aumento de la frecuencia miccional e incontinencia de urgencia. El presente artículo hace una revisión narrativa de la literatura actual sobre los mecanismos fisiopatológicos, manifestaciones clínicas, diagnóstico y tratamiento de la disfunción urinaria en pacientes con enfermedad de Parkinson.

Parkinson's disease (PD) is a neurodegenerative multisystemic diseases, which is clinically characterized by the presence of motor symptoms such as bradykinesia, rigidity, resting tremor, and postural instability. However, non-motor symptoms constituting mood disorders, sleep disorders, cognitive dysfunction, or autonomic dysfunction may also be present. Within autonomic dysfunctions, urinary symptoms have been documented in patients with Parkinson's disease. The most common urinary symptoms are nocturia, urinary urgency, increased urinary frequency, and urge incontinence. This article makes a narrative review of the current literature on the pathophysiological mechanisms, clinical manifestations, diagnosis and treatment of urinary dysfunction in patients with Parkinson's disease.

Manifestaciones cardiovasculares de la enfermedad de Parkinson: revisión de la literatura / Cardiovascular manifestations of Parkinson's disease: literature review

RESUMEN La enfermedad de Parkinson es la segunda enfermedad neurodegenerativa más prevalente en el mundo, y sus manifestaciones cardinales son la bradicinesia, el temblor y la rigidez. Aunque ha sido considerado un trastorno motor, actualmente se considera como un trastorno neurológico complejo que afecta diferentes sistemas, por lo que genera manifestaciones motoras y no motoras variadas, además de manifestaciones autonómicas sistémicas. Las manifestaciones cardiovasculares en pacientes con enfermedad de Parkinson son frecuentes y, además, provocan un gran impacto sobre la calidad de vida. A continuación, se realiza una revisión narrativa de las principales manifestaciones cardiovasculares de la enfermedad de Parkinson, y de sus mecanismos fisiopatológicos.

SUMMARY Parkinson's disease is the second most prevalent neurodegenerative disease in the world and is characterized by bradykinesia, tremor, rigidity, and postural instability. Although it has been considered as a motor system disease, it is currently considered as a complex neurological disease with different motor, non-motor, and autonomic manifestations. Cardiovascular manifestations in patients with Parkinson's disease are frequent and they have a great impact on quality of life. This article seeks to carry out a narrative review of the pathophysiological mechanisms and the main cardiovascular clinical manifestations in patients with Parkinson's disease.

Experiencia de una institución especializada en neurociencias durante la pandemia SARS-CoV-2 (covid-19) / Experience of a specialized neuroscience institution during the SARS-CoV-2 (COVID-19) pandemic

RESUMEN INTRODUCCIÓN: A partir de diciembre del 2019, un nuevo coronavirus, el SARS-CoV-2 (covid-19), comenzó a extenderse rápidamente por toda China, y en la actualidad es una pandemia mundial con casos reportados en más de 192 países. El primer caso de covid-19 en la ciudad de Medellín, Antioquia, Colombia, se reportó a inicios del mes de marzo del 2020, con un aumento masivo en el número de casos en los meses posteriores, motivo por el cual múltiples instituciones locales tuvieron que crear protocolos para atender a los pacientes con sospecha o diagnóstico de covid-19. OBJETIVOS: Documentar las experiencias y adaptaciones logísticas de un centro especializado en neurociencias para la atención de la pandemia por SARS-CoV-2. MÉTODOS: Estudio descriptivo, narrativo, retrospectivo RESULTADOS: El Instituto Neurológico de Colombia (Indec), a pesar de ser una institución de neurociencias, adaptó de manera funcional y estructural todos sus servicios para apoyar la red hospitalaria del departamento de Antioquia. CONCLUSIONES: Este manuscrito proporciona una guía completa para otras instituciones de neurología, en términos de preparación para una afluencia de pacientes con sospecha o diagnóstico de covid-19 en su sistema hospitalario.

SUMMARY INTRODUCTION: As of December 2019, a new coronavirus, SARS-CoV-2 (COVID-19), began to spread rapidly throughout China, and is currently a global pandemic with cases reported in more than 192 countries. The first case of COVID-19 in the city of Medellín, Antioquia, Colombia, was reported at the beginning of March 2020, with a massive increase in the number of cases in the following months, which is why multiple local institutions had to create protocols to care for patients with suspected or diagnosed COVID-19. OBJECTIVES: Document the experiences and logistical adaptations of a center specialized in neurosciences for the care of the Sars-Cov2 pandemic METHODS: Descriptive, narrative, retrospective study RESULTS: The Neurological Institute of Colombia (Indec), despite being a neuroscience institution, adapted all its services in a functional and structural way to support the hospital network of the department of Antioquia. CONCLUSIONS: This manuscript provides a comprehensive guidance for other neurology institutions, in terms of preparing for an influx of patients with suspected or diagnosed COVID-19 into their hospital system.

Effect of Amine Functionalization of MOF Adsorbents for Enhanced CO2 Capture and Separation: A Molecular Simulation Study.

Different types of amine-functionalized MOF structures were analyzed in this work using molecular simulations in order to determine their potential for post-combustion carbon dioxide capture and separation. Six amine models -of different chain lengths and degree of substitution- grafted to the unsaturated metal sites of the M2(dobdc) MOF [and its expanded version, M2(dobpdc)] were evaluated, in terms of adsorption isotherms, selectivity, cyclic working capacity and regenerability. Good agreement between simulation results and available experimental data was obtained. Moreover, results show two potential structures with high cyclic working capacities if used for Temperature Swing Adsorption processes: mmen/Mg/DOBPDC and mda-Zn/DOBPDC. Among them, the -mmen functionalized structure has higher CO2 uptake and better cyclability (regenerability) for the flue gas mixtures and conditions studied. Furthermore, it is shown that more amine functional groups grafted on the MOFs and/or full functionalization of the metal centers do not lead to better CO2 separation capabilities due to steric hindrances. In addition, multiple alkyl groups bonded to the amino group yield a shift in the step-like adsorption isotherms in the larger pore structures, at a given temperature. Our calculations shed light on how functionalization can enhance gas adsorption via the cooperative chemi-physisorption mechanism of these materials, and how the materials can be tuned for desired adsorption characteristics.

Influence of Van der Waals Interactions on the Solvation Energies of Adsorbates at Pt-Based Electrocatalysts.

Solvation can significantly modify the adsorption energy of species at surfaces, thereby influencing the performance of electrocatalysts and liquid-phase catalysts. Thus, it is important to understand adsorbate solvation at the nanoscale. Here we evaluate the effect of van der Waals (vdW) interactions described by different approaches on the solvation energy of *OH adsorbed on near-surface alloys (NSAs) of Pt. Our results show that the studied functionals can be divided into two groups, each with rather similar average *OH solvation energies: (1) PBE and PW91; and (2) vdW functionals, RPBE, PBE-D3 and RPBE-D3. On average, *OH solvation energies are less negative by ∼0.14 eV in group (2) compared to (1), and the values for a given alloy can be extrapolated from one functional to another within the same group. Depending on the desired level of accuracy, these concrete observations and our tabulated values can be used to rapidly incorporate solvation into models for electrocatalysis and liquid-phase catalysis.

Fisiopatologia do dano cerebral e traumatismo encéfalo craniano / Fisiopatologia del daño cerebral en el trauma encéfalo-craneano

Resumo O trauma craniocerebral é considerado a causa mais comum de dano cerebral adquirido. É um problema de saúde pública devido à sua grande incidência em todo o mundo, sua alta mortalidade e as sequelas que causa nas funções motoras, endócrinas, cognitivas, ou sensoriais que aparecem imediatamente ou após o dano cerebral causado. Métodos: foram analisados alguns bancos de dados, foram encontrados 33 artigos de revisão sobre a fisiopatologia, chave para definir os dois mecanismos: lesões primárias e secundárias. Estes últimos estão associados ao aparecimento de necrose e apoptose no tecido comprometido e geralmente são induzidos após alterações na homeostase do cálcio, excitotoxi-cidade e neuroinflamação. Posteriormente, a neurodegeneração ocorre, associada a alterações difusas devido a alterações na fisiopatologia. O conhecimento básico dos mecanismos fisiopatológicos que medeiam danos cerebrais no trauma cerebral-cérebro nos permite compreender as diferentes intervenções que são realizadas e melhorar o prognóstico neurológico do paciente.

Resumen El trauma encéfalo-craneano se considera como la causa más común de daño cerebral adquirido. Es un problema de salud pública por su alta incidencia a nivel mundial, su alta mortalidad y las secuelas que ocasiona en las funciones motoras, endocrinas, cognitivas, sensitivas o sensoriales que aparecen inmediatamente o después del daño cerebral ocasionado. Métodos: se revisaron algunas bases de datos encontrándose 33 artículos de revisión sobre la fisiopatología, clave para la definir los dos mecanismos: lesiones primarias y lesiones secundarias. Estas últimas están vinculadas con la aparición de necrosis y apoptosis en el tejido comprometido y generalmente se inducen luego de alteraciones en la homeostasis del calcio, excitotoxicidad y neuroinflamación. Posteriormente, se presenta neurodegeneración, asociada a los cambios difusos por las alteraciones en la fisiopatología. El conocimiento básico de los mecanismos fisiopatoló-gicos que median el daño cerebral en el trauma encéfalo-craneano permite comprender las diferentes intervenciones que se realizan y mejorar el pronóstico neurológico del paciente.

Isosteric heats of gas and liquid adsorption.

The heat of adsorption is an indicator of the strength of the interaction between an adsorbate and a solid adsorbent. This parameter can be determined from the heat released in calorimetric experiments or from the analysis of adsorption isotherms at different temperatures. The latter, called isosteric heats of adsorption, are commonly used in the characterization of materials for gas- and liquid-phase adsorption. Although the equations for the determination of isosteric heats of adsorption from the gas phase are well-known, approximate equations are frequently used for liquid-phase adsorption. We present here the rigorous equations for determining the isosteric heats of gas- and liquid-phase adsorption and their relation to the commonly used approximate equations. These equations are used to compute the isosteric heats of liquid adsorption based on the adsorption isotherms obtained from simulations for two well-defined systems, one ideal and the other nonideal. The results of using the rigorous equations are compared with those from the approximate equations. The main conclusion is that the commonly used approximate equations provide reasonable, but not perfect, estimates of the isosteric heats of liquid adsorption using only the experimental adsorption isotherms. The more accurate rigorous equations require additional information, including the heat of vaporization and, for nonideal mixtures, the heat of mixing.

Effect of immobilized amines on the sorption properties of solid materials: impregnation versus grafting.

The underlying mechanism of the adsorption process in functionalized materials is not yet fully understood. This incomplete understanding limits the possibility of designing optimal adsorbent materials for different applications. Hence, the availability of complementary methods to advance this field is of great interest. We present here results concerning the adsorption of CO(2) in amine-functionalized silica materials by Monte Carlo simulations, providing new insights into the capture process. Two different mechanisms of functionalization are compared: impregnation (a physical mixture of the amine and the support) and grafting (a chemical bond is formed between the amine and the support). We evaluate in this work a model of MCM-41 for N(2) and CO(2) adsorption with varying degrees of density of the functionalized chains. The results indicate that the mobility of the impregnated chains allows the creation of a network of microcavities, which enhance the low-pressure adsorption capabilities of these materials. Molecular simulations allow us to study in detail the conformational changes in the functionalized chains during the adsorption process. Materials functionalized densely by grafting undergo a change in the preferential orientation of the chains, which allows the adsorption of additional molecules close to the surface of the support. The adsorption of gas molecules close to the pore surface is usually the most energetically favorable configuration; however, for densely grafted materials the adsorption close to the surface occurs only at pressures large enough to provide energy to displace the functionalized chains.

Microporous carbon adsorbents with high CO2 capacities for industrial applications.

In this study we attempt to investigate the potential use of two zeolite template carbon (ZTC), EMT-ZTC and FAU-ZTC, to capture CO(2) at room temperature. We report their high pressure CO(2) adsorption isotherms (273 K) that show for FAU-ZTC the highest carbon capture capacity among published carbonaceous materials and competitive data with the best organic and inorganic adsorbing frameworks ever-known (zeolites and mesoporous silicas, COFs and MOFs). The importance of these results is discussed in light of mitigation of CO(2) emissions. In addition to these new experimental CO(2) adsorption data, we also present new insight into the adsorption process of the two structures by Monte Carlo simulations: we propose that two separate effects are responsible for the apparent similarity of the adsorption behaviour of the two structures: (i) pore blocking occurring on EMT-ZTC, and (ii) the change of the carbon polarizability due to the extreme curvature of FAU-ZTC.