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Stone–Wales defects in hexagonal boron nitride as ultraviolet emitters

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npj Computational Materials 2020年第1期6卷 169-175页

作者： Hanen Hamdi gergőthiering Zoltán Bodrog Viktor Ivády Adam Gali Wigner Research Centre for Physics P.O.Box 49Budapest 1525Hungary Department of Physics Chemistry and BiologyLinköping UniversityLinköping SE-58183Sweden Budapest University of Technology and Economics Budafokiút 8.Budapest 1111Hungary

Many quantum emitters have been measured close or near the grain boundaries of the two-dimensional hexagonal boron nitride where various Stone–Wales defects *** show by means of first principles density functional theory calculations that the pentagon–heptagon Stone–Wales defect is an ultraviolet emitter and its optical properties closely follow the characteristics of a 4.08-eV quantum emitter,often observed in polycrystalline hexagonal boron *** also show that the square–octagon Stone–Wales line defects are optically active in the ultraviolet region with varying gaps depending on their density in hexagonal boron *** results may introduce a paradigm shift in the identification of fluorescent centres in this material.

关键词： Wales boron hexagonal

Ab initio theory of the negatively charged boron vacancy qubit in hexagonal boron nitride

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npj Computational Materials 2020年第1期6卷 1332-1337页

作者： Viktor Ivády gergely Barcza gergőthiering Song Li Hanen Hamdi Jyh-Pin Chou Örs Legeza Adam Gali Wigner Research Centre for Physics PO Box 49Budapest 1525Hungary Department of Physics Chemistry and BiologyLinköping University58183 LinköpingSweden J.HeyrovskýInstitute of Physical Chemistry Academy of Sciences of the Czech RepublicDolejškova 318223 Prague 8Czech Republic Department of Mechanical Engineering City University of Hong KongKowloon TongHong KongChina Department of Atomic Physics Budapest University of Technology and EconomicsBudafokiút 8.Budapest 1111Hungary

Highly correlated orbitals coupled with phonons in two-dimension are identified for paramagnetic and optically active boron vacancy in hexagonal boron nitride by first principles methods which are responsible for recently observed optically detected magnetic resonance ***,we report ab initio analysis of the correlated electronic structure of this center by density matrix renormalization group and Kohn-Sham density functional theory *** establishing the nature of the bright and dark states as well as the position of the energy levels,we provide a complete description of the magneto-optical properties and corresponding radiative and non-radiative routes which are responsible for the optical spin polarization and spin dependent luminescence of the *** findings pave the way toward advancing the identification and characterization of room temperature quantum bits in two-dimensional solids.

关键词： boron hexagonal vacancy

On the role of impulsivity and decision-making in suicidal behavior

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World Journal of Psychiatry 2015年第3期5卷 255-259页

作者： Yari Gvion Yossi Levi-Belz gerg? Hadlaczky Alan Apter Department of Clinical Psychology Bar Ilan University Department of Clinical Psychology Tel-Aviv Jaffa Academic Center Interdisciplinary Center Department of Behavioral Sciences Ruppin Academic Center National Centre for Suicide Research and Prevention of Mental Ill-Health (NASP) Karolinska Institutet Feinberg Child Study Center Schneider Children’s Medical Center of Israel

Suicide risk constitutes a complex set of interacting demographic, clinical, psychobiological and environmental variables. Impulsivity is a long-known risk factor for suicide attempts. However, research based on clearer conceptual refinement in this area is imperative. One emerging field of study is that of decision-making. Impulsivity involves a failure of higher-order control, including decision-making. Using standardized operational definitions that take into consideration relevant aspects of impulsivity, including state- and trait-components and a deeper understanding of the process of decision-making in the suicidal mind, we may come a step closer to understanding suicidality and winning the fight in this scourge of human suffering.

关键词： Suicide Suicidal behavior Decision-making Impulsivity

The Immunogenic Connection of Thermal and Nonthermal Molecular Effects in Modulated Electro-Hyperthermia

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Open Journal of Biophysics 2023年第4期13卷 103-142页

作者： Attila Marcell Szász gergö Lóránt András Szász Gyula Szigeti Division of Oncology Department of Internal Medicine and Oncology Semmelweis University Budapest Hungary Biotechnics Department Hungarian University of Agriculture and Life Sciences Budaors Hungary Innovation Center Semmelweis University Budapest Hungary

Hyperthermia in oncology is an emerging complementary therapy. The clinical results depend on multiple conditional factors, like the type of cancer, the stage, the applied treatment device, and the complementary conventional therapy. The molecular effect could also be different depending on the temperature, heating dose, kind of energy transfer, and timing sequences compared to the concomitant treatment. This article examines the molecular impacts of a specific technique used in oncological hyperthermia called modulated electro-hyperthermia (mEHT). What sets mEHT apart is its emphasis on harnessing the combined effects of thermal and nonthermal factors. Nonthermal energy absorption occurs through the excitation of molecules, while the thermal component ensures the ideal conditions for this process. The applied radiofrequency current selects the malignant cells, and the modulation drives the nonthermal effects to immunogenic cell death, helping to develop tumor-specific antitumoral immune reactions. The synergy of the thermal and nonthermal components excites the lipid-assembled clusters of transmembrane proteins (membrane rafts) as the channels of transient receptor potentials (TRPs), the heat-shock proteins (HSPs), the voltage-gated channels, and the voltage-sensitive phosphatases (VSPs). All these transmembrane compartments channeling various ionic species (like calcium and proton) interact with the cytoskeleton and are involved in the apoptotic signal pathways.

关键词： Thermal Nonthermal Membrane Rafts TRP VSP HSP Cytoskeleton Polarization mEHT Immune Effects Abscopal Effect

Tyrosine isomers and hormonal signaling:A possible role for the hydroxyl free radical in insulin resistance

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World Journal of Diabetes 2015年第3期6卷 500-507页

作者： gerg A Molnár Esztella Zsóka Mikolás István András Szijártó Szilárd Kun Eszter Sélley István Wittmann 2nd Department of Medicine and Nephrological Center University of Pécs

Oxidative stress processes play a major role in the development of the complications associated with diabetes and other diseases via non-enzymatic glycation,the hexosamine pathway,the polyol pathway and diacylglycerol-protein kinase *** stress may lead to the production of hydroxyl free radicals,which can attack macromolecules,such as lipids,nucleic acids or amino ***(Phe) can be enzymatically converted to the physiological para-tyrosine(p-Tyr);however,a hydroxyl free radical attack on Phe may yield meta-and ortho-tyrosine(m-and o-Tyr,respectively) in addition to ***,m-and o-Tyr may be regarded as markers of hydroxyl free radical-induced *** accumulation has been described;e.g.,this accumulation has been found in the urine of patients with diabetes mellitus(DM) and/or chronic kidney disease,in cataract lenses,in vessel walls,in irradiated food and in amniotic fluid,and it may serve as an indicator of oxidative *** use of resveratrol to treat patients with type 2 DM led to a decrease in the urinary excretion of o-Tyr and concomitantly led to an improvement in insulin signaling and insulin *** data also suggest that m-and o-Tyr may interfere with intracellular *** group has shown that erythropoietin(EPO) has insulin-like metabolic effects on fat cells in addition to its ability to promote the proliferation of erythroid precursor *** have shown that the supplementation of cell culture medium with m-and o-Tyr inhibits erythroblast cell proliferation,which could be ameliorated by ***,in vivo,the o-Tyr/p-Tyr ratio is higher in patients with renal replacement therapy and a greater need for ***,the o-Tyr/p-Tyr ratio was an independent determinant of EPO-resistance indices in our human *** o-Tyr content of blood vessel walls inversely correlates with insulin-and acetylcholineinduced vasodilation,which could be further impaired by artificial oxidative stress and impr

关键词： Acetylcholine Insulin resistance Hormoneresistance Oxidative stress Para-tyrosine Orthotyrosine Meta-tyrosine Erythropoietin