Calculation of the moscovium ground-state energy by quantum algorithms

We investigate the possibility to calculate the ground-state energy of the atomic systems on a quantum computer. For this purpose we evaluate the lowest binding energy of the moscovium atom with the use of the iterative phase estimation and variational quantum eigensolver. The calculations by the variational quantum eigensolver are performed with a disentangled unitary coupled cluster ansatz and with various types of hardware-efficient ansatze. The optimization is performed with the use of the Adam and Quantum Natural Gradients procedures. The scalability of the ansatze and optimizers is tested by increasing the size of the basis set and the number of active electrons. The number of gates required for the iterative phase estimation and variational quantum eigensolver is also estimated.Comment: 29 pages, 5 figure

Особенности лимфогенного метастазирования в зависимости от внутриопухолевой гетерогенности немелкоклеточного рака легких у пациентов с разными морфологическими изменениями бронхиального эпителия

The aim of the study: to examine the relationship between the morphological diversity of non-small cell lung cancer and the frequency of lymph node metastasis in groups of patients with different epithelial conditions in the bronchi adjacent to the tumor. Material and methods. Surgical specimens from 90 patients with non-small cell lung cancer, who were treated in the Thoracoabdominal Department Of The Research Institute Of Oncology Of The Tomsk National Research Medical Center in the period from 2009 to 2017 were studied. The histological type of cancer was determined according to the who classification (2020). Lepidic, acinar, papillary, micropapillary, solid and solitary tumor cells were isolated in the parenchymal component of adenocarcinoma. In the parenchymal component of squamous cell carcinoma, 5 types of structures were distinguished: with keratinization, consisting of atypical cells of the prickly type without keratinization, consisting of atypical cells of the basaloid type, built of atypical cells with pronounced polymorphism, single tumor cells. Results. In patients with isolated basal cell hyperplasia, acinar (37 %), papillary (29 %) and solid (27 %) patterns were found less frequently in cases with metastatic regional lymph nodes compared to those without metastatic lymph nodes (63 %; p=0.05; 71 %; p=0.05; 73 %; p=0.01, respectively). In patients with isolated basal cell hyperplasia of the bronchial epithelium, in cases with the presence of lymph node metastasis in the parenchymal component of squamous cell carcinoma, structures 1 (with keratinization) (17 %), 2 (spiky pattern) (33 %) and 4 (polymorphic pattern) (29 %) were less frequently detected compared to those without metastases in regional lymph nodes (83 %; p=0.01; 67 %; p=0.02 and 71 %; p=0.01, respectively). In patients with a combination of basal cell hyperplasia and squamous metaplasia, a spiny pattern (65 %), a basaloid pattern (100 %), a polymorphic pattern (82 %) and single tumor cells (89 %) were more frequently detected in cases with metastatic lymph nodes than in cases without metastatic lymph nodes (35 %; р=0.04; 0 %; р=0.01; 18 %; р=0.01; 11 %; р=0.01, respectively). Conclusion. The data obtained clarify the available information on the significance of the morphological heterogeneity of the tumor for predicting the course of adenocarcinoma and squamous cell carcinoma of the lung.Цель исследования – изучить связи морфологического разнообразия немелкоклеточного рака легкого с частотой лимфогенного метастазирования в группах больных с разным состоянием эпителия в смежных с опухолью бронхах. Материал и методы. Исследовали операционный материал от 90 больных немелкоклеточным раком легкого, проходивших лечение в торакоабдоминальном отделении НИИ онкологии Томского НИМЦ в период с 2009 по 2017 г. Гистологический тип рака определяли согласно классификации WHo (2020). В паренхиматозном компоненте аденокарциномы выделяли структуры типа lepidic, ацинарные, папиллярные, микропапиллярные, солидные и одиночные опухолевые клетки. В паренхиматозном компоненте плоскоклеточной карциномы выделяли 5 типов структур: (1) с ороговением, (2) состоящий из атипичных клеток шиповатого типа без ороговения, (3) состоящий из атипичных клеток базалоидного типа, (4) построенный из атипичных клеток с резко выраженным полиморфизмом, (5) одиночные опухолевые клетки. Результаты. В группе больных с изолированной базальноклеточной гиперплазией в случаях с метастатическим поражением регионарных лимфоузлов реже был обнаружен ацинарный (37 %), папиллярный (29 %) и солидный (27 %) паттерны по сравнению с наблюдениями, когда лимфогенных метастазов не было (63 %; р=0,05; 71 %; р=0,05; 73 %; р=0,01 соответственно). У пациентов с изолированной базальноклеточной гиперплазией бронхиального эпителия в случаях с наличием лимфогенного метастазирования в паренхиматозном компоненте плоскоклеточной карциномы реже выявлялись структуры 1-го (с ороговением) (17 %), 2-го (шиповатый паттерн) (33 %) и 4-го (полиморфный паттерн) (29 %) типов по сравнению со случаями, когда метастазов в регионарных лимфоузлах не было (83 %; р=0,01; 67 %; р=0,02 и 71 %; р=0,01 соответственно). В группе больных с сочетанием базальноклеточной гиперплазии и плоскоклеточной метаплазии в случаях с метастатическим поражением лимфоузлов чаще были обнаружены шиповатый паттерн (65 %), базалоидный паттерн (100 %), полиморфный паттерн (82 %) и одиночные опухолевые клетки (89 %) по сравнению с наблюдениями, когда лимфогенных метастазов не было (35 %; р=0,04; 0 %; р=0,01; 18 %; р=0,01; 11 %; р=0,01 соответственно). Заключение. Полученные данные уточняют имеющиеся сведения о значении морфологической гетерогенности опухоли для прогноза течения аденокарциномы и плоскоклеточного рака легкого

DNA-abzymes in autoimmune diseases in clinic and experiment

DNA-abzymes enzymes in autoimmune diseases in clinic and experiment T.E. Naumova, O.M. Durova, A.G. Gabibov, Z.S. Alekberova, S. V. Suchkov DNA-hydrolyzing autoantibodies (AAB) or DNA-abzymes can be found in autoimmune diseases in clinic and experiment. Technology of serum express screening for presence of DNA abzymes is described. Comparative study of DNA-hydrolising activity in patients with different forms of systemic and organ-specific autoimmune diseases was performed. Blood of clinically healthy donors was usually free of IgG DNA-abzymes. DNA-abzymes were most often revealed in patients with systemic lupus erythematosus (SLE) and rheumatoid arthritis (RA) less often in patients with organ-specific forms of autoimmune disturbances. The results of the study confirm the hypothesis of autoimmune origin of IgG DNA abzymes and demonstrate the possibility to use them in clinical practice for monitoring to disease activity in SLE and RA

Coat Colour Grading of the Scots Pine Seeds Collected from Faraway Provenances Reveals a Different Germination Effect

The physiological quality of pine seeds is characterized by laboratory and field germination. The present paper is intended for technologists of seed plants and specialists of forest nurseries. It offers a solution to improve the seeding characteristics of small seeds by their pre-sowing preparation. The success of reforestation activities directly depends on the quality of the seeds. The influence of seed sorting by seed size and seed coat colour has been theoretically substantiated and repeatedly tested in practice. However, the response of seeds in germination can vary depending on the year and place of seed collection. Scots pine (Pinus sylvestris L.) seeds were germinated under controlled conditions. Seedlings were obtained from seeds pre-sorted by seed coat colour into white, brown, and black groups, and further divided by size. The results of sorting by the colour of seed coat indicate a different effect of this pre-sowing treatment on the sowing qualities of seeds. Brown seed coat colour showed the highest percentage degree in the seedlots of all provenances. The seeds from the southern provenance with the brown seed coat colour shown the maximum germination. That said, the study raises new questions, indicating more comprehensive research in the future. Does the pattern of germination parameter distribution remain constant for seeds of other harvest years but of the same provenance? Does the variability of the germination factor the result of internal factors of the container location in the greenhouse? Is the genetic diversity of seedlings disturbed by sorting by size

Autoantibodies to myelin basic protein catalyze site-specific degradation of their antigen

Autoantibody-mediated tissue destruction is among the main features of organ-specific autoimmunity. This report describes “an antibody enzyme” (abzyme) contribution to the site-specific degradation of a neural antigen. We detected proteolytic activity toward myelin basic protein (MBP) in the fraction of antibodies purified from the sera of humans with multiple sclerosis (MS) and mice with induced experimental allergic encephalomyelitis. Chromatography and zymography data demonstrated that the proteolytic activity of this preparation was exclusively associated with the antibodies. No activity was found in the IgG fraction of healthy donors. The human and murine abzymes efficiently cleaved MBP but not other protein substrates tested. The sites of MBP cleavage determined by mass spectrometry were localized within immunodominant regions of MBP. The abzymes could also cleave recombinant substrates containing encephalytogenic MBP(85-101) peptide. An established MS therapeutic Copaxone appeared to be a specific abzyme inhibitor. Thus, the discovered epitope-specific antibody-mediated degradation of MBP suggests a mechanistic explanation of the slow development of neurodegeneration associated with MS