The solid-state properties of pharmaceutical compounds play a critical role in their therapeutic efficacy, influencing their solubility, bioavailability, and stability. In this study, we investigate the monoclinic crystalline forms of four widely used anti-inflammatory drugssalicylic acid, acetylsalicylic acid (aspirin), acetaminophen (paracetamol), and ibuprofenusing density functional theory (DFT). Employing the Perdew, Burke, and Ernzerhof (PBE) functional with Tkatchenko-Scheffler dispersion correction, we performed geometry optimizations of the unit cells, achieving lattice parameters within 1-2% of experimental values. Time-dependent DFT (TD-DFT) calculations revealed molecular UV-vis absorption spectra consistent with experimental data, elucidating key electronic transitions. Kohn-Sham band structure analyses using the HLE17 functional identified indirect band gaps ranging from 2.99 eV (salicylic acid) to 4.02 eV (ibuprofen) with near-direct transitions suggesting potential optical activity. For the acetylsalicylic acid crystal, the calculated optical absorption spectrum reproduces the main experimental features after a rigid energy shift, highlighting the effectiveness and limitations of the DFT-PBE + TS approach for describing its optical properties. Optical absorption and dielectric function calculations for light polarized along the (100), (010), and (001) crystal directions highlighted anisotropic responses tied to crystal packing and hydrogen-bonding networks. These findings provide a comprehensive understanding of the interplay among the molecular structure, crystal lattice, and optoelectronic properties, offering insights and providing a theoretical foundation for the rational design of pharmaceutical formulations with enhanced performance.
Objetivo: Analisar as evidências científicas sobre as repercussões psiquiátricas associadas ao uso de tirzepatida em adultos com obesidade. Métodos: Revisão de escopo realizada entre dezembro de 2025 e janeiro de 2026, conduzida conforme as recomendações do Joanna Briggs Institute e reportada segundo o PRISMA-ScR, com protocolo previamente registrado na Open Science Framework. A pergunta norteadora foi estruturada pela estratégia PCC (População: adultos com obesidade em uso de tirzepatida; Conceito: repercussões psiquiátricas associadas ao tratamento; Contexto: uso clínico). Foram incluídos estudos completos, publicados nos últimos cinco anos, de acesso livre, em todos os idiomas, abrangendo ensaios clínicos, estudos observacionais, farmacovigilância e revisões. As buscas ocorreram nas bases PubMed, Medline, Scopus, Embase e Cochrane Library, com complementação no Google Acadêmico. A seleção e extração foram realizadas por dois revisores independentes, com síntese qualitativa dos achados. Resultados e Discussão: Doze estudos compuseram a amostra final. Ensaios clínicos indicaram eficácia consistente para perda ponderal e melhora metabólica, sem aumento robusto de ideação suicida, embora com limitação para detecção de eventos raros. Dados observacionais e de farmacovigilância revelaram baixa frequência de sintomas depressivos, ansiosos e suicidalidade, sem causalidade definida, coexistindo com relatos de melhora de bem-estar e qualidade de vida. Evidências mecanísticas sugerem possível modulação de circuitos de recompensa e processos inflamatórios, ainda sem confirmação clínica direta. Fatores como uso off-label, automedicação, produtos falsificados e alta prevalência de transtornos mentais reforçam a necessidade de triagem psiquiátrica prévia, monitorização longitudinal e fortalecimento da vigilância sanitária. Conclusão: A tirzepatida apresenta perfil global de segurança psiquiátrica favorável, porém com incertezas relacionadas a eventos raros e subgrupos vulneráveis. São necessários estudos prospectivos com desfechos psiquiátricos primários, comparações entre agonistas incretínicos e integração entre farmacovigilância, regulação e prática clínica, a fim de qualificar a avaliação de segurança mental no uso do fármaco.
The Lower Cretaceous Ipubi Formation (Santana Group, Araripe Basin) has yielded plants, invertebrates and vertebrates like turtles and fishes. Herein we present the first fish remains with precise provenance data from the Ipubi Formation. The material described here comes from the dark bituminous shale located below the evaporite layer of the Ipubi Formation at the S & atilde;o Jorge Mine, in the municipality of Ouricuri, Pernambuco, Brazil. The specimen (UFRPE 4763) corresponds to a post-cranial skeleton, with at least 26 vertebrae, fragments of the pelvic and anal fins, and a well-preserved caudal fin. Based on comparisons with other fishes from the Santana Group, this specimen is referred to genus Notelops, based on the following characteristics: the caudal fin is highly angled relative to the body, perforated, exhibiting a notch in the central region; and in the caudal fin the first ural centrum combined with hypurals 1 and 2 form a large and fused plate, as is observed in Notelops. UFRPE 4763 consists of the first Notelops record in the Ipubi Formation, allowing the acquisition of important information regarding the stratigraphical range of this taxon, as well as a paleoenvironmental indication of marine influence. (c) 2026 The Author(s). Published by Elsevier Ltd. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).
Elcanidae is a Mesozoic family of Orthoptera with many species known from Laurasia, but only very few from Gondwana. Here, a total of 88 specimens of Elcanidae from the Lower Cretaceous Crato Formation of Brazil were examined. Three new genera and species are described: Argentoelcana intermedia gen. et sp. nov.; Ensiferelcana brachyptera gen. et sp. nov.; Gondwanelcana brasiliensis gen. et sp. nov. In addition, the new genus Mesembrelcana gen. nov. is described to accommodate Cratoelcana rasnitsini, resulting in the new combination Mesembrelcana rasnitsini comb. nov. Finally, Cratoelcana damianii is transferred to Panorpidium, resulting in the new combination Panorpidium damianii comb. nov., thus rendering Cratoelcana monotypic, containing only the type species Cratoelcana zessini. Trait variability across the species based on the 88 specimens is presented and possible conclusions for the taxonomy of the family are discussed. Reasons explaining the high abundance of females among the specimens (69.3%) may include 1) a female-biased population of Elcanidae with the possible presence of parthenogenesis. 2) A stronger association of females with an aquatic habitat, for example for egg laying (thus leading to females being more likely to be preserved). The common name lagoon crickets is proposed for the family Elcanidae due to their frequent connection to bodies of water. The present work is the most comprehensive study about the Elcanidae of the Crato Formation since the contributions of Martins-Neto over 30 years ago. (c) 2026 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).
Healthcare-Associated Infections (HAIs) represent one of the major challenges in contemporary public health, being associated with increased morbidity, mortality, and hospital costs. This study provides a comprehensive review of the historical evolution of HAIs, their main etiological agents, and the available prevention and control measures. Bacteria, particularly species of Streptococcus, Staphylococcus, Clostridium difficile, Escherichia coli, Pseudomonas aeruginosa, Acinetobacter baumannii, Klebsiella pneumoniae, and Enterobacter spp., stand out as important causes of nosocomial infections, often resistant to antimicrobials. Among fungi, Candida spp. and Aspergillus spp. are the most frequent, followed by other opportunistic agents such as Mucorales and Fusarium spp.. The study emphasizes that the spread of these infections is related to factors such as the indiscriminate use of antibiotics, invasive procedures, inadequate healthcare infrastructure, and weaknesses in biosafety practices. To address this problem, key measures include proper hand hygiene, correct use of personal protective equipment, surface disinfection, appropriate management of invasive devices, rational use of antimicrobials, patient isolation, as well as continuous epidemiological surveillance programs and professional training. It is concluded that understanding the microorganisms involved and rigorously implementing biosafety protocols are essential to reduce the incidence of HAIs, ensuring greater patient safety and improved quality of healthcare.
