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Introduction:Several infectious diseases can present nail manifestations, which may be useful for diagnosis and prognosis, and only a few reports have been made regarding monkeypox (mpox). The objective of this study was to describe the clinical characteristics of nail alterations in patients living with HIV coinfected with mpox. Methods:A prospective, cross-sectional study included patients living with HIV/AIDS, coinfected with mpox. We examined all 20 nails in search of nail plate alterations. Patients were divided into two groups, with and without nail disease, and the CD4 count was noted according to the Centers for Disease Control and Prevention (CDC) classification. A χ2or Fisher’s exact test for qualitative variables and Mann-Whitney U and Kruskal-Wallis tests with post hoc Bonferroni test for quantitative variables were used to compare them. Data were analyzed with the SPSS Statistics 25 software. Results:Sixty-nine patients were included. The frequency of nail involvement was 58%. Papulonodular lesions were the most frequent type identified, with 21 cases (30.4%). A significant difference was observed between patients with nail disease versus median CD4 count (160 vs. 700/mm3; p= 0.002) and median HIV viral load (45,000 vs. 900/mL; p= 0.009). When comparing the characteristics of the nail lesions with the CDC Classification System for HIV infection by the CD4 count, a significant difference was observed in foot involvement, splinter hemorrhages, papulo-nodular lesions, anonychia, onychomadesis, acute paronychia, and nail bed ulcer-atrophy (p< 0.05). Conclusions:The frequency of nail lesions is high in patients living with HIV coinfected with mpox. In addition, they tend to be more destructive in patients with lower CD4 counts and higher viral loads.

Resumen:Entre los poemas conservados del poeta Juan del Valle y Caviedes (Porcuna, 1645–Lima, 1698) figuran algunos ataques políticos contra el duque de la Palata, quien gobernó el Virreinato del Perú entre los años 1681 y 1689. En dichos textos se detectan acusaciones de avaricia contra el duque, que pueden relacionarse con ciertas medidas que tomó durante su gobierno contra la amenaza pirata, la paralización del comercio y el fraude en el envío de remesas de plata, y que debieron de causar malestar entre los propios comerciantes limeños. En el siguiente trabajo se estudia un soneto escrito por Caviedes luego de que llegaran noticias de la muerte del duque en Portobelo, se revisa el contexto político-económico de su producción y la intención ejemplarizante del mismo.

The COVID-19 pandemic has displayed new challenges for chemistry instructors and students worldwide. An essential part of learning chemistry involves interactions in a laboratory ambiance. However, nowadays, it is necessary to consider alternatives to teaching experimental chemistry in an online environment. As a course project proposal, the students produced homemade videos to investigate a specific topic and find alternative ways to transfer their knowledge through innovative pedagogical and communicational tools. This work was assigned to first-year undergraduate students in a Chemistry I course who could not access an on-campus laboratory. This activity was performed in eight lab sections, considering seven different lab assignments, with 56 homemade educational videos. Each course had an instructor who guided the students and gave their feedback to improve the video quality. The final video output was subjected to an evaluation process consisting of three steps: the instructors’ evaluation, pedagogical analysis, and communicational review. Making educational videos at home could be an excellent alternative to boost the transfer of chemistry knowledge through didactic and audiovisual resources that promote learning within the university, from home, and in remote environments.

We report the first case of onychomycosis caused by Kloeckera apiculatain a woman with multiple sclerosis. Video-dermoscopic examination showed a spiked pattern and distal irregular aspect. Colonies on Sabouraud agar were white, creamy, and smooth. A microscopic examination showed blastoconidia. MALDI-TOF confirmed Kloeckera apiculataas the causal agent.

An alchemical transformation is any process, physical or fictitious, that connects two points in the chemical space. A particularly important transformation is the vanishing of a proton, whose energy can be linked to the proton dissociation enthalpy of acids. In this work we assess the reliability of alchemical derivatives in predicting the proton dissociation enthalpy of a diverse series of mono- and polyprotic molecules. Alchemical derivatives perform remarkably well in ranking the proton affinity of all molecules. Additionally, alchemical derivatives could be use also as a predictive tool because their predictions correlate quite well with calculations based on energy differences and experimental values. Although second-order alchemical derivatives underestimate the dissociation enthalpy, the deviation seems to be almost constant. This makes alchemical derivatives extremely accurate to evaluate the difference in proton affinity between two acid sites of polyprotic molecule. Finally, we show that the reason for the underestimation of the dissociation enthalpy is most likely the contribution of higher-order derivatives.

We report on a theoretical study of a Cs2molecule illuminated by two lasers and show how this can result in novel quantum dynamics. We reveal that these interactions facilitate the bypass of the non-crossing rule, forming light-induced conical intersections and modifiable avoided crossings. Our findings show how laser field orientation and strength, along with initial phase differences, can control molecular-state transitions, especially on the micromotionscale. We also extensively discuss how the interaction of radiation with matter gives rise to the emergence of potential energy surfaces of hybrids of radiation and molecular states. This research advances a technique for manipulating photoassociation processes in Cs2molecules, offering potential new avenues in quantum control.

The chemical reactivity of molecular clusters, mainly from the same atom type, is analyzed by using the Fukui function. The Fukui function at each atomic site is estimated from a Hückel-like approach, based on the variational principle for this reactivity index, where we go beyond the connectivity matrix and introduce a bond-distance dependence in the off-diagonal terms. This approach includes the full set of molecular orbitals with different weights and provides the correct reactivity pattern of the nanoparticle C360.

The physical characterization of the chemical bond in the ground state has been a central theme to theoretical chemistry. Among many techniques, quantum chemical topology (QCT) has emerged as a robust technique to understand the features of the chemical bond and electron organization within molecules. One consolidate tool within QCT is the topological analysis of the electron localization function (ELF). Most research on ELF and chemical bond has focused either on singlet ground states or the first excited triplet. However, most photochemical reactions and photophysical processes occur in excited states with the same spin-symmetry as the ground state. In this work, we develop a proposal on how to compute the ELF in excited states of any symmetry within linear-response time-dependent density functional theory. Then, we study the evolution of the chemical bonds in the ground- and excited-state intramolecular proton transfer (ESIPT) of a prototypal Schiff base (the salicylidene methylamine). We found that the topological analysis of the ELF along reaction paths explains the presence of a barrier for the proton transfer in the ground state and the absence of it in the excited state. Briefly, in the ground state, the cleavage of the O–H bond results in a structure with high electrostatic potential energy due to an excess of electron lone-pairs (3) in the oxygen atom, which explains the barrier. In the excited state, the electronic transition promotes an enhancement of the basicity of nitrogen by allocating three nonbonding electrons in the basin of its lone-pair. This excess of electrons in the N exerts an electrostatic attraction of the proton, which we suggest as the primary driven-force of the barrierless reaction. Because in excited states the molecule can develop more vibrational kinetic energy than in the ground state, we performed an ab initio molecular dynamics of the proton transfer in the excited state and corroborate that our conclusions on the topology of the ELF do not change due to dynamic effects.

Nitroxide radicals, adhered to gold nanoparticles, have found novel applications such as cancer treatment, neuroprotection after cerebral injury, radiotherapy, and as drug-delivering agents. The details of the nature of the binding of nitroxide radicals to metallic nanostructures have been a subject of debate for the last two decades. In this work, microcalorimetric measurements are complemented with a theoretical study of noncovalent interactions between different derivatives of the nitroxide radical 2,2,5,5-tetramethylpiperidinoxyl and an Au8nanocluster to shed light on the nature of the binding of the radical molecule and the nanocluster. Experiments and theory showed that, although the molecule could bind through the nitroxide group, organic substituents such as amino and carboxyl groups interact much more favorably with the nanocluster. Attachment of these groups to the gold nanocluster is the result of an intense polarization of the “nucleophilic” sites of the metallic cluster, strengthened by van der Waals attraction between the molecule and the nanocluster.

Malassezia, a skin saprophyte, is frequently isolated from patients with seborrheic dermatitis, which is one of the most common dermatoses in HIV-infected patients. Its role in pathophysiology has not been defined.

•Natural vegetation hold larger biomass and carbon stocks per area than agrosystems.•Agricultural lands (oil palm plantations) can sequester large carbon stocks.•Conservation of natural land near agrosystems is critical for climate mitigation.

Determinar el valor predictivo de la evaluación cognitiva, la severidad de los síntomas, el control personal y la autoeficacia sobre la toma de decisiones en la experiencia de los síntomas del síndrome coronario agudo (SCA).

Cutaneous leishmaniasis (CL) is a worldwide infectious disease caused by flagellate protozoa of the genus Leishmania. In America, the species most commonly responsible for CL are L. mexicana andL. brasiliensis. Usually, in America, it is transmitted by sand flies mainly of the genus Lutzomyia and Psychodopygus. CL most commonly affects exposed areas and is characterized by an erythematous infiltrated and ulcerated papular or nodular lesion. We report a 28-year-old male, with a 6-month history and a previous trip to the forest in the south of Mexico. He presented with an asymptomatic erythematous plaque on his scalp, with slow and progressive nodular lesions with central crusted ulceration, with a raised and well-defined border. On videodermoscopy, we observed erythematous gummy lesions, yellowish scabs, and white star, dotted, hairpin, and glomerular patterns of vessels.

Nonlocal exchange-correlation energy functionals are constructed using the accurate model exchange-correlation hole for the uniform electron gas developed by Gori-Giorgi and Perdew. The exchange-correlation hole is constrained to be symmetric and normalized, so the resulting functionals can be viewed as symmetrized versions of the weighted density approximation; we call them two-point weighted density approximations. Even without optimization of parameters or functional forms, the exchange-correlation energies for small molecules are competitive with those of the best generalized gradient approximation functionals. Two-point weighted density approximations seem to be an interesting new direction for functional development. A more general version of the conditions that define the energy for fractional electron number and fractional spin are presented. These “generalized flat-planes” conditions are closely linked to the normalization of the spin-resolved exchange-correlation hole at noninteger electron number. This and many other properties of the exact exchange-correlation functional can be imposed straightforwardly and directly in symmetrized weighted density approximation.

In the present work, a computational study of the Coulomb explosions of atomic metal clusters of the type X82+was carried out, X = (Li–Cs). The work was done within the Kohn–Sham methodology using the Born–Oppenheimer molecular dynamics approximation. The dominant fission channels were established and the electron bonding patterns were analyzed with the help of the Electron Localization Function (ELF). A simple theoretical model was developed to understand and describe, in a qualitatively way, the main physical mechanism involved in the fission of these multicharged clusters. It has been found that the most possible fragments after explosion are the same considering the dynamics or the thermodynamics results. The bonds breaking and formation are well depicted by the ELF, and the main physical effects are well described by the developed model.

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The article presents the security risks faced by the mining industry and the opposition from communities who live near mines in Mexico in 2014. The mining sector faced security challenges extending beyond organised crime, as the countrywide existence of self-defence groups has increased armed resistance risk. It states that local communities become organised in opposing mining projects, even though movements are weaker compared to the same groups in Latin America.

The article reports that security forces in Mexico captured Omar Treviño Morales alias Z-42, the leader of Los Zetas criminal organisation, in San Pedro Garza García municipality in Nuevo Leon state in Mexico on March 4, 2015.