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1.
J Comput Chem ; 45(10): 671-682, 2024 Apr 15.
Artículo en Inglés | MEDLINE | ID: mdl-38095321

RESUMEN

With the simplest-level electron nuclear dynamics (SLEND) method, we test standard Slater-type-orbital/contracted-Gaussian-functions (STO/CGFs) basis sets for the simulation of direct ionizations (DIs), charge transfers (CTs), and target excitations (TEs) in H+ + H at ELab = 0.1-100 keV. SLEND is a time-dependent, variational, on-the-fly, and nonadiabatic method that treats nuclei and electrons with classical dynamics and a Thouless single-determinantal state, respectively. While previous tests for CTs and TEs exist, this is the first SLEND/STO/CGFs test for challenging DIs. Spin-orbitals with negative/positive energies are treated as bound/unbound states for bound-to-bound (CT and TE) and bound-to-unbound (DI) transitions. SLEND/STO/CGFs simulations correctly reproduce all the features of DIs, CTs and TEs over all the considered impact parameters and energies. SLEND/STO/CGFs simulations correctly predict CT integrals cross-sections (ICSs) over all the considered energies and predict satisfactory DI and TE ICSs within some energy ranges. Strategies to improve SLEND/STO/CGFs for DI predictions are discussed.

2.
Phys Chem Chem Phys ; 26(26): 18041-18047, 2024 Jul 03.
Artículo en Inglés | MEDLINE | ID: mdl-38895773

RESUMEN

Nanostructured thermoelectric materials ideally reduce lattice thermal conductivity without harming the electrical properties. Thus, to truly improve the thermoelectric performance, the quality factor, which is proportional to the weighted mobility divided by the lattice thermal conductivity of the material, must be improved. Precipitates of In2Te3 form in the state-of-the-art Bi2Te3 with crystallographic alignment to the Bi2Te3 structure. Like epitaxy in films, this can be called endotaxy in solids. This natural epitaxy in a 3-dimensional solid is ideally situated to scatter phonons but produces minimal electronic scattering and, therefore, maintains high mobility. Here, we study the effects of In-alloying in Bi2Te3 at high In concentrations (about 4 at%), enough to produce the endotaxial microstructure. It is found that such concentrations of indium in Bi2Te3 significantly alter the electronic structure, reducing the effective mass and weighted mobility so significantly as to effectively destroy the thermoelectric properties even though the lattice thermal conductivity is successfully reduced.

3.
Phys Chem Chem Phys ; 25(3): 2019-2034, 2023 Jan 18.
Artículo en Inglés | MEDLINE | ID: mdl-36545768

RESUMEN

Following our preceding research [P. M. McLaurin, R. Merritt, J. C. Domínguez, E. S. Teixeira and J. A. Morales, Phys. Chem. Chem. Phys., 2019, 21, 5006], we present an electron nuclear dynamics (END) investigation of H+ + H2O at ELab = 28.5-200.0 eV in conjunction with a computational procedure to induce symmetry breaking during evolution. The investigated system is a computationally feasible prototype to simulate water radiolysis reactions in ion cancer therapy. END is a time-dependent, variational, non-adiabatic, and on-the-fly method, which utilizes classical mechanics for nuclei and a Thouless single-determinantal state for electrons. In this study, a procedure inherent to END introduces low degrees of symmetry breaking into the reactants' restricted Hartree-Fock (RHF) state to induce a higher symmetry breaking during evolution. Specifically, the Thouless exponential operator acting on the RHF reference generates an axial spin density wave (ASDW) state according to Fukutome's analysis of HF symmetry breaking; this state exhibits spatial and spin symmetry breaking. By varying a Thouless parameter, low degrees of symmetry breaking are introduced into ASDW states. After starting the dynamics from those states, higher degrees of symmetry breaking may subsequently emerge as dictated by the END equations without ad hoc interventions. Simulations starting from symmetry-conforming states preserve the symmetry features during dynamics, whereas simulations starting from symmetry-broken states display an upsurge of symmetry breaking once the reactants collide. Present simulations predict three types of reactions: (I) projectile scattering, (II) hydrogen substitution, and (III) water radiolysis into H + OH and 2H + O fragments. Remarkably, symmetry breaking considerably increases the extent of the target-to-projectile electron transfers (ETs) occurring during the above reactions. Then, with symmetry breaking, 1-ET differential and integral cross sections increase in value, whereas 0-ET differential cross sections and primary rainbow scattering angles decrease. More importantly, END properties calculated from symmetry-breaking simulations exhibit better agreement with the experimental data. Notably, END 1-ET integral cross sections with symmetry breaking compare better with their experimental counterparts than 1-ET integral cross sections from high-level close-coupling calculations; moreover, END validates an undetected rainbow scattering peak inferred from the experimental data. A discussion of our symmetry-breaking procedure in the context of Fukutome's analysis of HF symmetry breaking is also presented.


Asunto(s)
Electrones , Neoplasias , Humanos , Hidrógeno , Agua , Transporte de Electrón
4.
Sensors (Basel) ; 23(13)2023 Jul 06.
Artículo en Inglés | MEDLINE | ID: mdl-37448045

RESUMEN

With the increasing need for particulate matter (PM) monitoring, the demand for light-scattering sensors that allow for real-time measurements of PM is increasing. This light-scattering method involves irradiating light to the aerosols in the atmosphere to analyze the scattered light and measure mass concentrations. Humidity affects the measurement results. The humidity in an outdoor environment may exist as gas or steam, such as fog. While the impact of humidity on the light-scattering measurement remains unclear, an accurate estimation of ambient PM concentration is a practical challenge. Therefore, this study investigated the effects of humidity on light-scattering measurements by analyzing the variation in the PM concentration measured by the sensor when relative humidity was due to gaseous and steam vapor. The gaseous humidity did not cause errors in the PM measurements via the light-scattering method. In contrast, steam humidity, such as that caused by fog, resulted in errors in the PM measurement. The results help determine the factors to be considered before applying a light-scattering sensor in an outdoor environment. Based on these factors, directions for technological development can be presented regarding the correction of measurement errors induced by vapor in outdoor environments.


Asunto(s)
Contaminantes Atmosféricos , Material Particulado , Material Particulado/análisis , Vapor , Humedad , Monitoreo del Ambiente/métodos , Gases , Contaminantes Atmosféricos/análisis , Tamaño de la Partícula
5.
Small ; 18(48): e2205057, 2022 12.
Artículo en Inglés | MEDLINE | ID: mdl-36269881

RESUMEN

Flat metasurfaces with subwavelength meta-atoms can be designed to manipulate the electromagnetic parameters of incident light and enable unusual light-matter interactions. Although hydrogel-based metasurfaces have the potential to control optical properties dynamically in response to environmental conditions, the pattern resolution of these surfaces has been limited to microscale features or larger, limiting capabilities at the nanoscale, and precluding effective use in metamaterials. This paper reports a general approach to developing tunable plasmonic metasurfaces with hydrogel meta-atoms at the subwavelength scale. Periodic arrays of hydrogel nanodots with continuously tunable diameters are fabricated on silver substrates, resulting in humidity-responsive surface plasmon polaritons (SPPs) at the nanostructure-metal interfaces. The peaks of the SPPs are controlled reversibly by absorbing or releasing water within the hydrogel matrix, the matrix-generated plasmonic color rendering in the visible spectrum. This work demonstrates that metasurfaces designed with these spatially patterned nanodots of varying sizes benefit applications in anti-counterfeiting and generate multicolored displays with single-nanodot resolution. Furthermore, this work shows system versatility exhibited by broadband beam-steering on a phase modulator consisting of hydrogel supercell units in which the size variations of constituent hydrogel nanostructures engineer the wavefront of reflected light from the metasurface.


Asunto(s)
Hidrogeles , Nanoestructuras , Plata , Humedad , Agua
6.
Small ; : e2002517, 2020 Oct 08.
Artículo en Inglés | MEDLINE | ID: mdl-33090659

RESUMEN

Controlled deposition of 2D multilayered nanomaterials onto different electrodes to design a highly sensitive biosensing platform utilizing their active inherent electrochemistry is extremely challenging. Herein, a green, facile, and cost-effective one-pot deposition mechanism of 2D MXene-Ti3C2Tx nanosheets (MXNSs) onto conductive electrodes within few minutes via electroplating (termed electroMXenition) is reported for the first time. The redox reaction in the colloidal MXNS solution under the effect of a constant applied potential generates an electric field, which drives the nanoparticles toward a specific electrode interface such that they are cathodically electroplated. A task-specific ionic liquid, that is, 4-amino-1-(4-formyl-benzyl) pyridinium bromide (AFBPB), is exploited as a multiplex host arena for the substantial immobilization of MXNSs and covalent binding of antibodies. A miniaturized, single-masked gold dual interdigitated microelectrode (DIDµE) is microfabricated and presented by investigating the benefit of AFBPB coated on MXNSs. The resulting MXNSs-AFBPB-film-modified DIDµE biosensor exhibited a 7× higher redox current than bare electrodes owing to the uniform deposition. Using Apo-A1 and NMP 22 as model bladder cancer analytes, this newly developed dual immunosensor demonstrated precise and large linear ranges over five orders of significance with limit of detection values as low as 0.3 and 0.7 pg mL-1, respectively.

7.
J Chem Phys ; 153(14): 144116, 2020 Oct 14.
Artículo en Inglés | MEDLINE | ID: mdl-33086796

RESUMEN

Gas phase intermolecular energy transfer (IET) is a fundamental component of accurately explaining the behavior of gas phase systems in which the internal energy of particular modes of molecules is greatly out of equilibrium. In this work, chemical dynamics simulations of mixed benzene/N2 baths with one highly vibrationally excited benzene molecule (Bz*) are compared to experimental results at 140 K. Two mixed bath models are considered. In one, the bath consists of 190 N2 and 10 Bz, whereas in the other bath, 396 N2 and 4 Bz are utilized. The results are compared to results from 300 K simulations and experiments, revealing that Bz*-Bz vibration-vibration IET efficiency increased at low temperatures consistent with longer lived "chattering" collisions at lower temperatures. In the simulations, at the Bz* excitation energy of 150 kcal/mol, the averaged energy transferred per collision, ⟨ΔEc⟩, for Bz*-Bz collisions is found to be ∼2.4 times larger in 140 K than in 300 K bath, whereas this value is ∼1.3 times lower for Bz*-N2 collisions. The overall ⟨ΔEc⟩, for all collisions, is found to be almost two times larger at 140 K compared to the one obtained from the 300 K bath. Such an enhancement of IET efficiency at 140 K is qualitatively consistent with the experimental observation. However, the possible reasons for not attaining a quantitative agreement are discussed. These results imply that the bath temperature and molecular composition as well as the magnitude of vibrational energy of a highly vibrationally excited molecule can shift the overall timescale of rethermalization.

8.
J Phys Chem A ; 123(12): 2301-2309, 2019 Mar 28.
Artículo en Inglés | MEDLINE | ID: mdl-30794410

RESUMEN

Collisional energy transfer of highly vibrationally excited propylbenzene cation in a N2 bath has been studied with chemical dynamics simulations. In this work, an intermolecular potential of propylbenzene cation interacting with N2 was developed from SCS-MP2/6-311++G** ab initio calculations. Using a particle swarm optimization algorithm, the ab initio results were simultaneously fit to a sum of three two-body potentials, consisting of C a-N, C b-N, and H-N, where C a is carbon on the benzene ring and C b is carbon on the propyl side chain. Using the developed intermolecular potential, classical trajectory calculations were performed with a 100.1 kcal/mol excitation energy at 473 K to compare with experiment. Varying the density of the N2 bath, the single collision limit of propylbenzene cation with the N2 bath was obtained at a density of 20 kg/m3 (28 atm). For the experimental excitation energy and in the single collision limit, the average energy transferred per collision, ⟨Δ Ec⟩, is 1.04 ± 0.04 kcal/mol and in good agreement with the experimental value of 0.82 kcal/mol.

9.
J Child Psychol Psychiatry ; 59(1): 30-38, 2018 Jan.
Artículo en Inglés | MEDLINE | ID: mdl-28195316

RESUMEN

BACKGROUND: In an attempt to resolve questions regarding the symptom classification of autism spectrum disorder (ASD), previous research generally aimed to demonstrate superiority of one model over another. Rather than adjudicating which model may be optimal, we propose an alternative approach that integrates competing models using Goldberg's bass-ackwards method, providing a comprehensive understanding of the underlying symptom structure of ASD. METHODS: The study sample comprised 3,825 individuals, consecutive referrals to a university hospital developmental disabilities specialty clinic or a child psychiatry outpatient clinic. This study analyzed DSM-IV-referenced ASD symptom statements from parent and teacher versions of the Child and Adolescent Symptom Inventory-4R. A series of exploratory structural equation models was conducted in order to produce interpretable latent factors that account for multivariate covariance. RESULTS: Results indicated that ASD symptoms were structured into an interpretable hierarchy across multiple informants. This hierarchy includes five levels; key features of ASD bifurcate into different constructs with increasing specificity. CONCLUSIONS: This is the first study to examine an underlying structural hierarchy of ASD symptomatology using the bass-ackwards method. This hierarchy demonstrates how core features of ASD relate at differing levels of resolution, providing a model for conceptualizing ASD heterogeneity and a structure for integrating divergent theories of cognitive processes and behavioral features that define the disorder. These findings suggest that a more coherent and complete understanding of the structure of ASD symptoms may be reflected in a metastructure rather than at one level of resolution.


Asunto(s)
Trastorno del Espectro Autista/diagnóstico , Trastorno del Espectro Autista/psicología , Adolescente , Adulto , Niño , Femenino , Humanos , Masculino , Modelos Psicológicos , Índice de Severidad de la Enfermedad , Adulto Joven
10.
Soft Matter ; 14(19): 3760-3767, 2018 May 16.
Artículo en Inglés | MEDLINE | ID: mdl-29701744

RESUMEN

We study the influence of geometric anisotropy of micro-grate structures on the spreading dynamics of water drops after impact. It is found that the maximal spreading diameter along the parallel direction to grates becomes larger than that along the transverse direction beyond a certain Weber number, while the extent of such an asymmetric spreading increases with the structural pitch of grates and Weber number. By employing grates covered with nanostructures, we exclude the possible influences coming from the Cassie-to-Wenzel transition and the circumferential contact angle variation on the spreading diameter. Then, based on a simplified energy balance model incorporating slip length, we propose that slip length selectively enhances the spreading diameter along the parallel direction, being responsible for the asymmetric drop spreading. We believe that our work will help better understand the role of microstructures in controlling the drop dynamics during impact, which has relevance to various engineering applications.

11.
J Phys Chem A ; 121(40): 7494-7502, 2017 Oct 12.
Artículo en Inglés | MEDLINE | ID: mdl-28926700

RESUMEN

Intermolecular energy transfer for the vibrationally excited propylbenzene cation (C9H12+) in a helium bath was studied with chemical dynamics simulations. The bond energy bond order relationship and electronic structure calculations were used to develop an intramolecular potential for C9H12+. Spin component scaled MP2/6-311++G** calculations were used to develop an intermolecular potential for He + C9H12+. The He + He intermolecular potential was determined from a previous explicitly correlated Gaussian electronic structure calculation. For the simulations, C9H12+ was prepared with a 100.1 kcal/mol excitation energy to compare with experiment. The average energy transfer from C9H12+, ⟨ΔEc⟩, decreased as C9H12+ was vibrationally relaxed and for the initial excitation energy ⟨ΔEc⟩ = 0.64 kcal/mol. This result agrees well with the experimental ⟨ΔEc⟩ value of 0.51 ± 0.26 kcal/mol for collisions of He with the ethylbenzene cation. The ⟨ΔEc⟩ value found for He + C9H12+ collisions is compared with reported values of ⟨ΔEc⟩ for He colliding with other molecules.

12.
Nat Mater ; 14(12): 1223-8, 2015 Dec.
Artículo en Inglés | MEDLINE | ID: mdl-26436339

RESUMEN

Filled skutterudites R(x)Co4Sb12 are excellent n-type thermoelectric materials owing to their high electronic mobility and high effective mass, combined with low thermal conductivity associated with the addition of filler atoms into the void site. The favourable electronic band structure in n-type CoSb3 is typically attributed to threefold degeneracy at the conduction band minimum accompanied by linear band behaviour at higher carrier concentrations, which is thought to be related to the increase in effective mass as the doping level increases. Using combined experimental and computational studies, we show instead that a secondary conduction band with 12 conducting carrier pockets (which converges with the primary band at high temperatures) is responsible for the extraordinary thermoelectric performance of n-type CoSb3 skutterudites. A theoretical explanation is also provided as to why the linear (or Kane-type) band feature is not beneficial for thermoelectrics.

13.
J Phys Chem A ; 120(27): 5187-96, 2016 Jul 14.
Artículo en Inglés | MEDLINE | ID: mdl-27182630

RESUMEN

Chemical dynamics simulations were performed to investigate collisional energy transfer from highly vibrationally excited azulene (Az*) in a N2 bath. The intermolecular potential between Az and N2, used for the simulations, was determined from MP2/6-31+G* ab initio calculations. Az* is prepared with an 87.5 kcal/mol excitation energy by using quantum microcanonical sampling, including its 95.7 kcal/mol zero-point energy. The average energy of Az* versus time, obtained from the simulations, shows different rates of Az* deactivation depending on the N2 bath density. Using the N2 bath density and Lennard-Jones collision number, the average energy transfer per collision ⟨ΔEc⟩ was obtained for Az* as it is collisionally relaxed. By comparing ⟨ΔEc⟩ versus the bath density, the single collision limiting density was found for energy transfer. The resulting ⟨ΔEc⟩, for an 87.5 kcal/mol excitation energy, is 0.30 ± 0.01 and 0.32 ± 0.01 kcal/mol for harmonic and anharmonic Az potentials, respectively. For comparison, the experimental value is 0.57 ± 0.11 kcal/mol. During Az* relaxation there is no appreciable energy transfer to Az translation and rotation, and the energy transfer is to the N2 bath.

14.
Langmuir ; 30(28): 8400-7, 2014 Jul 22.
Artículo en Inglés | MEDLINE | ID: mdl-24976266

RESUMEN

We experimentally investigated the impact dynamics of a water drop on oil-infused nanostructured surfaces using high-speed microscopy and scalable metal oxide nano surfaces. The effects of physical properties of the oil and impact velocity on complex fluid dynamics during drop impact were investigated. We show that the oil viscosity does not have significant effects on the maximal spreading radius of the water drop, while it moderately affects the retraction dynamics. The oil viscosity also determines the stability of the infused lubricant oil during the drop impact; i.e., the low viscosity oil layer is easily displaced by the impacting drop, which is manifested by a residual mark on the impact region and earlier initiation of prompt splashing. Also, because of the liquid (water)-liquid (oil) interaction on oil-infused surfaces, various instabilities are developed at the rim during impact under certain conditions, resulting in the flower-like pattern during retraction or elongated filaments during spreading. We believe that our findings will contribute to the rational design of oil-infused surfaces under drop impact conditions by illuminating the complex fluid phenomena on oil-infused surfaces during drop impact.

15.
RSC Adv ; 14(10): 7081-7087, 2024 Feb 21.
Artículo en Inglés | MEDLINE | ID: mdl-38414988

RESUMEN

SnSe2 with its layered structure is a promising thermoelectric material with intrinsically low lattice thermal conductivity. However, its poor electronic transport properties have motivated extensive doping studies. Br doping effectively improves the power factor and converts the dimorphic SnSe2 to a fully hexagonal structure. To understand the mechanisms underlying the power factor improvement of Br-doped SnSe2, the electronic band parameters of Br-doped dimorphic and hexagonal SnSe2 should be evaluated separately. Using the single parabolic band model, we estimate the intrinsic mobility and effective mass of the Br-doped dimorphic and hexagonal SnSe2. While Br doping significantly improves the mobility of dimorphic SnSe2 (with the dominant hexagonal phase), it results in a combination of band convergence and band flattening in fully hexagonal SnSe2. Br-doped dimorphic SnSe2 is predicted to exhibit higher thermoelectric performance (zT ∼0.23 at 300 K) than Br-doped fully hexagonal SnSe2 (zT ∼0.19 at 300 K). Characterisation of the other, currently unidentified, structural phases of dimorphic SnSe2 will enable us to tailor the thermoelectric properties of Br-doped SnSe2.

16.
ACS Appl Mater Interfaces ; 16(30): 39356-39366, 2024 Jul 31.
Artículo en Inglés | MEDLINE | ID: mdl-38943223

RESUMEN

Se-free n-type (Bi,Sb)2Te3 thermoelectric materials, outperforming traditional n-type Bi2(Te,Se)3, emerge as a compelling candidate for practical applications of recovering low-grade waste heat. A 100% improvement in the maximum ZT of n-type Bi1.7Sb0.3Te3 is demonstrated by using melt-spinning and excess Te-assisted transient liquid phase sintering (LPS). Te-rich sintering promotes the formation of intrinsic defects (TeBi), elevating the carrier concentration and enhancing the electrical conductivity. Melt-spinning with excess Te fine-tunes the electronic band, resulting in a high power-factor of 0.35 × 10-3 W·m-1 K-2 at 300 K. Rapid volume change during sintering induces the formation of dislocation networks, significantly suppressing the lattice thermal conductivity (0.4 W·m-1 K-1). The developed n-type legs achieve a high maximum ZT of 1.0 at 450 K resulting in a 70% improvement in the output power of the thermoelectric device (7.7 W at a temperature difference of 250 K). This work highlights the synergy between melt-spinning and transient LPS, advancing the tailored control of both electronic and thermal properties in thermoelectric technology.

17.
J Synchrotron Radiat ; 20(Pt 6): 929-32, 2013 Nov.
Artículo en Inglés | MEDLINE | ID: mdl-24121342

RESUMEN

The intracellular pathogen Mycobacterium tuberculosis (Mtb) causes tuberculosis, and one of its secreted effector proteins, called enhanced intracellular survival (Eis) protein, enhances its survival in macrophages. Mtb Eis activates JNK-specific dual-specificity protein phosphatase 16 (DUSP16)/mitogen-activated protein kinase phosphatase-7 (MKP-7) through the acetylation on Lys55, thus inactivating JNK by dephosphorylation. Based on the recently reported crystal structure of Mtb Eis, a docking model for the binding of Mtb Eis to DUSP16/MKP-7 was generated. In the docking model, the substrate helix containing Lys55 of DUSP16/MKP-7 fits nicely into the active-site cleft of Mtb Eis; the twisted ß-sheet of Eis domain II embraces the substrate helix from one side. Most importantly, the side-chain of Lys55 is inserted toward acetyl-CoA and the resulting distance is 4.6 Å between the NZ atom of Lys55 and the carbonyl carbon of the acetyl group in acetyl-CoA. The binding of Mtb Eis and DUSP16/MKP-7 is maintained by strong electrostatic interactions. The active-site cleft of Mtb Eis has a negatively charged surface formed by Asp25, Glu138, Asp286, Glu395 and the terminal carboxylic group of Phe396. In contrast, DUSP16/MKP-7 contains five basic residues, Lys52, Lys55, Arg56, Arg57 and Lys62, which point toward the negatively charged surface of the active-site pocket of Mtb Eis. Thus, the current docking model suggests that the binding of DUSP16/MKP-7 to Mtb Eis should be established by charge complementarity in addition to a very favorable geometric arrangement. The suggested mode of binding requires the dissociation of the hexameric Mtb Eis into dimers or monomers. This study may be useful for future studies aiming to develop inhibitors of Mtb Eis as a new anti-tuberculosis drug candidate.


Asunto(s)
Fosfatasas de Especificidad Dual/metabolismo , Fosfatasas de la Proteína Quinasa Activada por Mitógenos/metabolismo , Mycobacterium tuberculosis/metabolismo , Humanos , Simulación de Dinámica Molecular , Fosforilación
18.
Front Psychiatry ; 14: 1096572, 2023.
Artículo en Inglés | MEDLINE | ID: mdl-37275971

RESUMEN

Studies of the continuity of psychopathology symptoms mainly involved the traditional conceptualization that mental disorders are discrete entities. However, high comorbidity rates suggest a few transdiagnostic factors that underlie individual disorders. Therefore, the present study examined the validity of transdiagnostic factors in predicting homotypic and heterotypic continuity of comorbidity classes across two waves in a nationally representative sample. We conducted a latent transition analysis to investigate how transdiagnostic factors differentially affect the transition probabilities of comorbidity classes across time. Results found a notable predictive validity of transdiagnostic factors: (a) internalizing strongly predicted the stability of the internalizing class and transition from the externalizing class to internalizing class, and (b) externalizing predicted the transition from the internalizing class to externalizing class. The study also found a more dynamic prediction pattern leading to equifinality and multifinality of psychopathology symptoms. The findings suggest that transdiagnostic factors can provide information on how individuals' symptom manifestations change over time, highlighting the potential benefits of incorporating transdiagnostic factors into assessment, treatment, and prevention.

19.
Sci Rep ; 13(1): 2420, 2023 Feb 10.
Artículo en Inglés | MEDLINE | ID: mdl-36765064

RESUMEN

In response to global warming, researchers worldwide are actively investigating various techniques and institutional frameworks to reduce the emission of greenhouse gases. Despite numerous life cycle assessment (LCA) studies indicating that global warming effects due to lifetime energy consumption are the greatest in the building operation stage, the absence of a standard global warming potential (GWP) report based on building energy usage makes it difficult to examine realistic GWP reduction directions. In South Korea, energy data for numerous buildings were collected through the Building Energy Efficiency Certification (BEEC) for several years, with data from apartment buildings receiving the most attention. GWP emissions were evaluated using the data through Green Standard for Energy and Environmental Design LCA. Here, we developed a model for apartment buildings to assess mutual propriety for GWP emissions (E) and energy effective area ratio (RE) during building operation to support the reduction of GWP emissions caused by lifetime operational energy consumption resulting from planning and design. We collected apartment BEEC data and used them to calculate the energy effective area ratio and GWP emissions of each building, which were then classified by energy use and source. Linear regression analysis was performed between RE and E for each classification, and the derived regression equation was developed as a GWP assessment model for apartments. The applicability of the proposed model was examined through a case study, which confirmed that the model can be used to determine design directions for reducing GWP emissions for every energy in apartments.

20.
Yonsei Med J ; 64(2): 104-110, 2023 Feb.
Artículo en Inglés | MEDLINE | ID: mdl-36719017

RESUMEN

PURPOSE: Pulmonary thromboembolism is a potentially life-threatening condition in patients with heart disease; however, limited studies discussing long-term outcomes exist. This study aimed to investigate the long-term outcomes of pulmonary endarterectomy (PEA) in patients with chronic thromboembolic pulmonary hypertension (CTEPH), focusing on the improvement of functional class and right ventricular (RV) pressure. MATERIALS AND METHODS: Clinical data of patients with CTEPH were obtained from Yonsei Hospital between May 2012 and December 2021, and reviewed retrospectively. Twenty-six patients underwent endoscope-guided PEA during the study period, and the mean follow-up duration was 24.8±23.4 months. RESULTS: After PEA, most patients (88.5%) were weaned from inotropes without extracorporeal membrane oxygenation support during the first few days. Two patients (7.6%) had cerebrovascular accidents without neurological deficits. On echocardiography, the RV systolic pressure and tricuspid regurgitation grades significantly improved (p<0.001). Furthermore, the mean left ventricle end-diastolic diameter was significant increased (p=0.003), and the left ventricular end-systolic diameter increased (p<0.001). The median intensive care unit stay was 3.0±9.4 days, and median hospital stay 16.0±26.5 days. The 5-year survival rate was 95.5%, and the 5-year freedom rate of cardiac death was 100%. There was a marked improvement in New York Heart Association (NYHA) status (p<0.001). Cox regression suggested that the main pulmonary artery (MPA) involvement is a significant predictor of non-improvement in functional class post-PEA. CONCLUSION: Mortality rates are low and patients experience a marked improvement in NYHA class and health status after PEA. Moreover, MPA involvement may affect functional outcomes.


Asunto(s)
Hipertensión Pulmonar , Embolia Pulmonar , Humanos , Hipertensión Pulmonar/cirugía , Hipertensión Pulmonar/etiología , Estudios Retrospectivos , Resultado del Tratamiento , Embolia Pulmonar/cirugía , Arteria Pulmonar/cirugía , Endarterectomía/efectos adversos , Enfermedad Crónica
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