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1.
Phys Rev Lett ; 132(26): 260402, 2024 Jun 28.
Artigo em Inglês | MEDLINE | ID: mdl-38996317

RESUMO

The state of an open quantum system undergoing an adiabatic process evolves by following the instantaneous stationary state of its time-dependent generator. This observation allows one to characterize, for a generic adiabatic evolution, the average dynamics of the open system. However, information about fluctuations of dynamical observables, such as the number of photons emitted or the time-integrated stochastic entropy production in single experimental runs, requires controlling the whole spectrum of the generator and not only the stationary state. Here, we show how such information can be obtained in adiabatic open quantum dynamics by exploiting tools from large deviation theory. We prove an adiabatic theorem for deformed generators, which allows us to encode, in a biased quantum state, the full counting statistics of generic time-integrated dynamical observables. We further compute the probability associated with an arbitrary "rare" time history of the observable and derive a dynamics which realizes it in its typical behavior. Our results provide a way to characterize and engineer adiabatic open quantum dynamics and to control their fluctuations.

2.
J Mol Model ; 30(4): 114, 2024 Apr 01.
Artigo em Inglês | MEDLINE | ID: mdl-38558272

RESUMO

CONTEXT: Conjugated polymers (CPs) have been recognized as promising materials for the manufacture of electronic devices. However, further studies are still needed to enhance the electrical conductivity of these type of organic materials. The two main strategies for achieving this improvement are the doping process and chemical modification of the polymer chain. Therefore, in this article, we conduct a theoretical investigation, employing DFT calculations to evaluate the structural, energetic, and electronic properties of pristine and push-pull-derived poly(p-phenylene) oligomers (PPPs), as well as the analysis at the molecular level of the polymer doping process. As a primary conclusion, we determined that the PPP oligomer substituted with the push-pull group 4-EtN/CNPhNO2 exhibited the smallest HOMO-LUMO gap (Eg) among the studied oligomers. Moreover, we observed that the doping process, whether through electron removal or the introduction of the dopant anion ClO4-, led to a substantial reduction in the Eg of the PPP, indicating an enhancement in the polymer's electrical conductivity. METHODS: DFT calculations were conducted using the PBE0 functional along with the Pople's split valence 6-31G(d,p) basis set, which includes polarization functions on all atoms (B97D/6-31G(d,p)).

3.
Cureus ; 16(1): e52869, 2024 Jan.
Artigo em Inglês | MEDLINE | ID: mdl-38406084

RESUMO

Blueberry muffin syndrome (BMS) in neonates, characterized by widespread nodular lesions, presents diagnostic challenges due to its diverse etiologies. Hyperleukocytosis, with leukocyte counts exceeding 100,000/µL, is a rare phenomenon associated with severe complications in neonates. Congenital leukemia (CL), a rare diagnosis within the first month of life, is linked to high mortality. This case report presents a unique case of BMS with hyperleukocytosis as the initial presentation of CL. A full-term male newborn, born after an uncomplicated pregnancy, except for Kell isoimmunization, with an Apgar score of 9/10, and an irrelevant family history, showed widespread purple nodules consistent with BMS at birth. Laboratory workup revealed mild anemia, hyperleukocytosis with immature granulocytes on peripheral blood (PB) smear, positive direct antiglobulin test, and elevated alanine aminotransferase and lactate dehydrogenase, without hyperbilirubinemia. Empirical antibiotics and hyperhydration were started, and the neonate was transferred to a level 3 neonatal intensive care unit for further evaluation. A comprehensive etiological investigation was conducted, comprising infectious, immunological, metabolic, and neoplastic factors. A skin nodule biopsy revealed an infiltrate of blast cells, indicative of leukemia cutis, and a bone marrow aspirate confirmed acute myeloid leukemia (AML). The patient successfully completed the NOPHO-DBH-2012 chemotherapy protocol at five months and remains in complete remission at nine months. This case report contributes to the literature by highlighting the diagnostic approach and management strategies for CL presenting with BMS and hyperleukocytosis. This case aims to enhance awareness and understanding of BMS as an initial manifestation of CL. Additionally, the challenges of treating leukemia in neonates, coupled with the lack of specific guidelines for this age group, further underscore the complexities in managing such patients.

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