46 research outputs found
Decoherence-free quantum-information processing using dipole-coupled qubits
We propose a quantum-information processor that consists of decoherence-free
logical qubits encoded into arrays of dipole-coupled qubits. High-fidelity
single-qubit operations are performed deterministically within a
decoherence-free subsystem without leakage via global addressing of bichromatic
laser fields. Two-qubit operations are realized locally with four physical
qubits, and between separated logical qubits using linear optics. We show how
to prepare cluster states using this method. We include all
non-nearest-neighbor effects in our calculations, and we assume the qubits are
not located in the Dicke limit. Although our proposal is general to any system
of dipole-coupled qubits, throughout the paper we use nitrogen-vacancy (NV)
centers in diamond as an experimental context for our theoretical results.Comment: 7 pages, 5 figure
Anisotropic interactions of a single spin and dark-spin spectroscopy in diamond
The nitrogen-vacancy (N-V) center in diamond is a promising atomic-scale
system for solid-state quantum information processing. Its spin-dependent
photoluminescence has enabled sensitive measurements on single N-V centers,
such as: electron spin resonance, Rabi oscillations, single-shot spin readout
and two-qubit operations with a nearby 13C nuclear spin. Furthermore, room
temperature spin coherence times as long as 58 microseconds have been reported
for N-V center ensembles. Here, we have developed an angle-resolved
magneto-photoluminescence microscopy apparatus to investigate the anisotropic
electron spin interactions of single N-V centers at room temperature. We
observe negative peaks in the photoluminescence as a function of both magnetic
field magnitude and angle that are explained by coherent spin precession and
anisotropic relaxation at spin level anti-crossings. In addition, precise field
alignment unmasks the resonant coupling to neighboring dark nitrogen spins that
are not otherwise detected by photoluminescence. The latter results demonstrate
a means of investigating small numbers of dark spins via a single bright spin
under ambient conditions.Comment: 13 pages, 4 figure
ΠΠ²Π°Π½ΡΠΎΠ²ΠΎ-Ρ ΠΈΠΌΠΈΡΠ΅ΡΠΊΠΎΠ΅ ΠΌΠΎΠ΄Π΅Π»ΠΈΡΠΎΠ²Π°Π½ΠΈΠ΅ ΠΌΠ΅ΡΠΎΡΡΠ΅ΠΊΡΠ°Ρ-ΡΡΠ»Π»Π΅ΡΠ΅Π½ΠΎΠ»ΠΎΠ²ΡΡ ΡΠ°Π΄ΠΈΠΎΠ½ΡΠΊΠ»ΠΈΠ΄Π½ΡΡ Π°Π³Π΅Π½ΡΠΎΠ² ΡΠ΅ΡΠ°ΠΏΠΈΠΈ ΠΎΠ½ΠΊΠΎΠ»ΠΎΠ³ΠΈΡΠ΅ΡΠΊΠΈΡ Π·Π°Π±ΠΎΠ»Π΅Π²Π°Π½ΠΈΠΉ
In order to therapeutically destroy cancer neoplasms, chemotherapy or radiotherapy are commonly used. InΒ the isotope medicine, however, medical isotopes of the short-lived radionuclides are injected into the tumor (59Fe, 90Y, 95Zr, 99mTc, 106Ru, 114*In, 147Eu, 148Eu, 155Eu, 170Tm, 188Re, 210Po, 222Rn, 230U, 237Pu, 240Cm, 241Cm, 253Es). Binary, or neutroncapturing, technology is a technology developed for the selective effect on malignant tumors and using a tropic to tumors preparations containing non-radioactive nuclides (10B, 113Cd, 157Gd et. al.). Triadic technology is a sequential administration of a combination of two or more separately inactive and harmless components tropic to tumor tissues that can selectively accumulate in them or react with each other to destroy tumors under certain external impacts. The aim of this work is the quantum-chemical modeling of the electronic structure and the analysis of the thermodynamic stability of the new methotrexate containing nanoscale fullerenolic radionuclide tumor-fghting agents. The need for preliminary studies on modeling of such objects is caused by the very high labor intensity, cost and complexity of their practical preparation.Π‘ ΡΠ΅Π»ΡΡ ΡΠ΅ΡΠ°ΠΏΠ΅Π²ΡΠΈΡΠ΅ΡΠΊΠΎΠ³ΠΎ ΡΠ½ΠΈΡΡΠΎΠΆΠ΅Π½ΠΈΡ ΠΎΠ½ΠΊΠΎΠ»ΠΎΠ³ΠΈΡΠ΅ΡΠΊΠΈΡ
Π½ΠΎΠ²ΠΎΠΎΠ±ΡΠ°Π·ΠΎΠ²Π°Π½ΠΈΠΉ ΠΎΠ±ΡΡΠ½ΠΎ ΠΏΡΠΈΠΌΠ΅Π½ΡΡΡ Ρ
ΠΈΠΌΠΈΠΎΡΠ΅ΡΠ°ΠΏΠΈΡ ΠΈΠ»ΠΈ Π»ΡΡΠ΅Π²ΡΡ ΡΠ΅ΡΠ°ΠΏΠΈΡ, Π° Π² ΠΈΠ·ΠΎΡΠΎΠΏΠ½ΠΎΠΉ ΠΌΠ΅Π΄ΠΈΡΠΈΠ½Π΅ β Π²Π²ΠΎΠ΄ΡΡ Π² ΠΎΠΏΡΡ
ΠΎΠ»Ρ ΡΠΎΠΎΡΠ²Π΅ΡΡΡΠ²ΡΡΡΠΈΠ΅ ΠΊΠΎΡΠΎΡΠΊΠΎΠΆΠΈΠ²ΡΡΠΈΠ΅ ΡΠ°Π΄ΠΈΠΎΠ½ΡΠΊΠ»ΠΈΠ΄Ρ (59Fe, 90Y, 95Zr, 99mTc, 106Ru, 114*In, 147Eu, 148Eu, 155Eu, 170Tm, 188Re, 210Po, 222Rn, 230U, 237Pu, 240Cm, 241Cm, 253Es). ΠΠΈΠ½Π°ΡΠ½Π°Ρ (ΠΈΠ»ΠΈ Π½Π΅ΠΉΡΡΠΎΠ½ΠΎΠ·Π°Ρ
Π²Π°ΡΠ½Π°Ρ) β ΡΠ΅Ρ
Π½ΠΎΠ»ΠΎΠ³ΠΈΡ, ΡΠ°Π·ΡΠ°Π±ΠΎΡΠ°Π½Π½Π°Ρ Π΄Π»Ρ ΠΈΠ·Π±ΠΈΡΠ°ΡΠ΅Π»ΡΠ½ΠΎΠ³ΠΎ Π²ΠΎΠ·Π΄Π΅ΠΉΡΡΠ²ΠΈΡ Π½Π° Π·Π»ΠΎΠΊΠ°ΡΠ΅ΡΡΠ²Π΅Π½Π½ΡΠ΅ Π½ΠΎΠ²ΠΎΠΎΠ±ΡΠ°Π·ΠΎΠ²Π°Π½ΠΈΡ ΠΈ ΠΈΡΠΏΠΎΠ»ΡΠ·ΡΡΡΠ°Ρ ΡΡΠΎΠΏΠ½ΡΠ΅ ΠΊ ΠΎΠΏΡΡ
ΠΎΠ»ΡΠΌ ΠΏΡΠ΅ΠΏΠ°ΡΠ°ΡΡ, ΡΠΎΠ΄Π΅ΡΠΆΠ°ΡΠΈΠ΅ Π½Π΅ΡΠ°Π΄ΠΈΠΎΠ°ΠΊΡΠΈΠ²Π½ΡΠ΅ Π½ΡΠΊΠ»ΠΈΠ΄Ρ (10B, 113Cd, 157Gd ΠΈ Π΄Ρ.) Π’ΡΠΈΠ°Π΄Π½Π°Ρ β ΠΏΠΎΡΠ»Π΅Π΄ΠΎΠ²Π°ΡΠ΅Π»ΡΠ½ΠΎΠ΅ Π²Π²Π΅Π΄Π΅Π½ΠΈΠ΅ Π² ΠΎΡΠ³Π°Π½ΠΈΠ·ΠΌ ΠΊΠΎΠΌΠ±ΠΈΠ½Π°ΡΠΈΠΈ ΠΈΠ· Π΄Π²ΡΡ
ΠΈ Π±ΠΎΠ»Π΅Π΅, ΠΏΠΎ ΠΎΡΠ΄Π΅Π»ΡΠ½ΠΎΡΡΠΈ Π½Π΅Π°ΠΊΡΠΈΠ²Π½ΡΡ
ΠΈ Π±Π΅Π·Π²ΡΠ΅Π΄Π½ΡΡ
ΠΊΠΎΠΌΠΏΠΎΠ½Π΅Π½ΡΠΎΠ², ΡΡΠΎΠΏΠ½ΡΡ
ΠΊ ΠΎΠΏΡΡ
ΠΎΠ»Π΅Π²ΡΠΌ ΡΠΊΠ°Π½ΡΠΌ ΠΈ ΡΠΏΠΎΡΠΎΠ±Π½ΡΡ
Π² Π½ΠΈΡ
ΡΠ΅Π»Π΅ΠΊΡΠΈΠ²Π½ΠΎ Π½Π°ΠΊΠ°ΠΏΠ»ΠΈΠ²Π°ΡΡΡΡ ΠΈΠ»ΠΈ Π²ΡΡΡΠΏΠ°ΡΡ Π΄ΡΡΠ³ Ρ Π΄ΡΡΠ³ΠΎΠΌ Π² Ρ
ΠΈΠΌΠΈΡΠ΅ΡΠΊΠΎΠ΅ Π²Π·Π°ΠΈΠΌΠΎΠ΄Π΅ΠΉΡΡΠ²ΠΈΠ΅ ΠΈ ΡΠ½ΠΈΡΡΠΎΠΆΠ°ΡΡ ΠΎΠΏΡΡ
ΠΎΠ»Π΅Π²ΡΠ΅ Π½ΠΎΠ²ΠΎΠΎΠ±ΡΠ°Π·ΠΎΠ²Π°Π½ΠΈΡ ΠΏΠΎΠ΄ Π΄Π΅ΠΉΡΡΠ²ΠΈΠ΅ΠΌ ΠΎΠΏΡΠ΅Π΄Π΅Π»Π΅Π½Π½ΡΡ
ΡΠ΅Π½ΡΠΈΠ±ΠΈΠ»ΠΈΠ·ΠΈΡΡΡΡΠΈΡ
Π²Π½Π΅ΡΠ½ΠΈΡ
Π²ΠΎΠ·Π΄Π΅ΠΉΡΡΠ²ΠΈΠΉ. Π¦Π΅Π»ΡΡ Π½Π°ΡΡΠΎΡΡΠ΅ΠΉ ΡΠ°Π±ΠΎΡΡ ΡΠ²Π»ΡΠ΅ΡΡΡ ΠΊΠ²Π°Π½ΡΠΎΠ²ΠΎ-Ρ
ΠΈΠΌΠΈΡΠ΅ΡΠΊΠΎΠ΅ ΠΌΠΎΠ΄Π΅Π»ΠΈΡΠΎΠ²Π°Π½ΠΈΠ΅ ΡΠ»Π΅ΠΊΡΡΠΎΠ½Π½ΠΎΠΉ ΡΡΡΡΠΊΡΡΡΡ ΠΈ Π°Π½Π°Π»ΠΈΠ· ΡΠ΅ΡΠΌΠΎΠ΄ΠΈΠ½Π°ΠΌΠΈΡΠ΅ΡΠΊΠΎΠΉ ΡΡΡΠΎΠΉΡΠΈΠ²ΠΎΡΡΠΈ Π½ΠΎΠ²ΡΡ
ΠΌΠ΅ΡΠΎΡΡΠ΅ΠΊΡΠ°ΡΡΠΎΠ΄Π΅ΡΠΆΠ°ΡΠΈΡ
ΡΡΠ»Π»Π΅ΡΠ΅Π½ΠΎΠ»ΠΎΠ²ΡΡ
ΡΠ°Π΄ΠΈΠΎΠ½ΡΠΊΠ»ΠΈΠ΄Π½ΡΡ
Π½Π°Π½ΠΎΡΠ°Π·ΠΌΠ΅ΡΠ½ΡΡ
Π°Π³Π΅Π½ΡΠΎΠ²-ΠΈΡΡΡΠ΅Π±ΠΈΡΠ΅Π»Π΅ΠΉ ΠΎΠΏΡΡ
ΠΎΠ»Π΅Π²ΡΡ
Π½ΠΎΠ²ΠΎΠΎΠ±ΡΠ°Π·ΠΎΠ²Π°Π½ΠΈΠΉ. ΠΠ΅ΠΎΠ±Ρ
ΠΎΠ΄ΠΈΠΌΠΎΡΡΡ ΠΏΡΠ΅Π΄Π²Π°ΡΠΈΡΠ΅Π»ΡΠ½ΡΡ
ΠΈΡΡΠ»Π΅Π΄ΠΎΠ²Π°Π½ΠΈΠΉ ΠΏΠΎ ΠΌΠΎΠ΄Π΅Π»ΠΈΡΠΎΠ²Π°Π½ΠΈΡ ΡΠ°ΠΊΠΎΠ³ΠΎ ΡΠΎΠ΄Π° ΠΎΠ±ΡΠ΅ΠΊΡΠΎΠ² ΠΎΠ±ΡΡΠ»ΠΎΠ²Π»Π΅Π½Π° ΠΎΡΠ΅Π½Ρ Π²ΡΡΠΎΠΊΠΎΠΉ ΡΡΡΠ΄ΠΎΠ΅ΠΌΠΊΠΎΡΡΡΡ, ΡΡΠΎΠΈΠΌΠΎΡΡΡΡ ΠΈ ΡΠ»ΠΎΠΆΠ½ΠΎΡΡΡΡ ΠΈΡ
ΠΏΡΠ°ΠΊΡΠΈΡΠ΅ΡΠΊΠΎΠ³ΠΎ ΠΏΠΎΠ»ΡΡΠ΅Π½ΠΈΡ
ΠΠ²Π°Π½ΡΠΎΠ²ΠΎ-Ρ ΠΈΠΌΠΈΡΠ΅ΡΠΊΠΎΠ΅ ΠΌΠΎΠ΄Π΅Π»ΠΈΡΠΎΠ²Π°Π½ΠΈΠ΅ ΠΊΠΎΡΡΠΈΠ·ΠΎΠ½-ΡΡΠ»Π»Π΅ΡΠ΅Π½ΠΎΠ»ΠΎΠ²ΡΡ Π°Π³Π΅Π½ΡΠΎΠ² ΡΠ΅ΡΠ°ΠΏΠΈΠΈ ΠΎΠ½ΠΊΠΎΠ»ΠΎΠ³ΠΈΡΠ΅ΡΠΊΠΈΡ Π·Π°Π±ΠΎΠ»Π΅Π²Π°Π½ΠΈΠΉ
In order to therapeutically destroy oncological neoplasms, chemotherapy or radiotherapy is usually applied, and in isotope medicine β short-lived radio nuclides are injected into the tumor (59Fe, 90Y, 95Zr, 99mTc, 106Ru, 114*In, 147Eu, 148Eu, 155Eu, 170Tm, 188Re, 210Po, 222Rn, 230U, 237Pu, 240Cm, 241Cm, 253Es). Binary (or neutron capture) therapy is a technology developed for the selective effect on malignant tumors using drugs that are tropic to tumors and contain non-radioactive nuclides (10B, 113Cd, 157Gd at al.). Triadic therapy involves the sequential introduction into the body of a combination of two or more separately inactive and harmless components, which are tropic to tumor tissues and capable of selectively accumulating in them or chemically interacting with each other and destroying tumor neoplasms under the action of certain sensitizing external influences. The aim of this work is quantum-chemical simulation of the electronic structure and analysis of the thermodynamic stability of new cortisone-fullerenol agents for the treatment of tumor neoplasms. The need for preliminary studies of modeling such objects is due to the very high labor intensity, cost and complexity of their practical production.Π‘ ΡΠ΅Π»ΡΡ ΡΠ΅ΡΠ°ΠΏΠ΅Π²ΡΠΈΡΠ΅ΡΠΊΠΎΠ³ΠΎ ΡΠ½ΠΈΡΡΠΎΠΆΠ΅Π½ΠΈΡ ΠΎΠ½ΠΊΠΎΠ»ΠΎΠ³ΠΈΡΠ΅ΡΠΊΠΈΡ
Π½ΠΎΠ²ΠΎΠΎΠ±ΡΠ°Π·ΠΎΠ²Π°Π½ΠΈΠΉ ΠΎΠ±ΡΡΠ½ΠΎ ΠΏΡΠΈΠΌΠ΅Π½ΡΡΡ Ρ
ΠΈΠΌΠΈΠΎΡΠ΅ΡΠ°ΠΏΠΈΡ ΠΈΠ»ΠΈ Π»ΡΡΠ΅Π²ΡΡ, Π° Π² ΠΈΠ·ΠΎΡΠΎΠΏΠ½ΠΎΠΉ ΠΌΠ΅Π΄ΠΈΡΠΈΠ½Π΅ β Π²Π²ΠΎΠ΄ΡΡ Π² ΠΎΠΏΡΡ
ΠΎΠ»Ρ ΡΠΎΠΎΡΠ²Π΅ΡΡΡΠ²ΡΡΡΠΈΠ΅ ΠΊΠΎΡΠΎΡΠΊΠΎΠΆΠΈΠ²ΡΡΠΈΠ΅ ΡΠ°Π΄ΠΈΠΎΠ½ΡΠΊΠ»ΠΈΠ΄Ρ (59Fe, 90Y, 95Zr, 99mTc, 106Ru, 114*In, 147Eu, 148Eu, 155Eu, 170Tm, 188Re, 210Po, 222Rn, 230U, 237Pu, 240Cm, 241Cm, 253Es). ΠΠΈΠ½Π°ΡΠ½Π°Ρ (ΠΈΠ»ΠΈ Π½Π΅ΠΉΡΡΠΎΠ½ΠΎΠ·Π°Ρ
Π²Π°ΡΠ½Π°Ρ) β ΡΠ΅Ρ
Π½ΠΎΠ»ΠΎΠ³ΠΈΡ, ΡΠ°Π·ΡΠ°Π±ΠΎΡΠ°Π½Π½Π°Ρ Π΄Π»Ρ ΠΈΠ·Π±ΠΈΡΠ°ΡΠ΅Π»ΡΠ½ΠΎΠ³ΠΎ Π²ΠΎΠ·Π΄Π΅ΠΉΡΡΠ²ΠΈΡ Π½Π° Π·Π»ΠΎΠΊΠ°ΡΠ΅ΡΡΠ²Π΅Π½Π½ΡΠ΅ Π½ΠΎΠ²ΠΎΠΎΠ±ΡΠ°Π·ΠΎΠ²Π°Π½ΠΈΡ ΠΈ ΠΈΡΠΏΠΎΠ»ΡΠ·ΡΡΡΠ°Ρ ΡΡΠΎΠΏΠ½ΡΠ΅ ΠΊ ΠΎΠΏΡΡ
ΠΎΠ»ΡΠΌ ΠΏΡΠ΅ΠΏΠ°ΡΠ°ΡΡ, ΡΠΎΠ΄Π΅ΡΠΆΠ°ΡΠΈΠ΅ Π½Π΅ΡΠ°Π΄ΠΈΠΎΠ°ΠΊΡΠΈΠ²Π½ΡΠ΅ Π½ΡΠΊΠ»ΠΈΠ΄Ρ (10B, 113Cd, 157Gd ΠΈ Π΄Ρ.). Π’ΡΠΈΠ°Π΄Π½Π°Ρ β ΠΏΠΎΡΠ»Π΅Π΄ΠΎΠ²Π°ΡΠ΅Π»ΡΠ½ΠΎΠ΅ Π²Π²Π΅Π΄Π΅Π½ΠΈΠ΅ Π² ΠΎΡΠ³Π°Π½ΠΈΠ·ΠΌ ΠΊΠΎΠΌΠ±ΠΈΠ½Π°ΡΠΈΠΈ ΠΈΠ· Π΄Π²ΡΡ
ΠΈ Π±ΠΎΠ»Π΅Π΅ ΠΏΠΎ ΠΎΡΠ΄Π΅Π»ΡΠ½ΠΎΡΡΠΈ Π½Π΅Π°ΠΊΡΠΈΠ²Π½ΡΡ
ΠΈ Π±Π΅Π·Π²ΡΠ΅Π΄Π½ΡΡ
ΠΊΠΎΠΌΠΏΠΎΠ½Π΅Π½ΡΠΎΠ², ΡΡΠΎΠΏΠ½ΡΡ
ΠΊ ΠΎΠΏΡΡ
ΠΎΠ»Π΅Π²ΡΠΌ ΡΠΊΠ°Π½ΡΠΌ ΠΈ ΡΠΏΠΎΡΠΎΠ±Π½ΡΡ
Π² Π½ΠΈΡ
ΡΠ΅Π»Π΅ΠΊΡΠΈΠ²Π½ΠΎ Π½Π°ΠΊΠ°ΠΏΠ»ΠΈΠ²Π°ΡΡΡΡ ΠΈΠ»ΠΈ Π²ΡΡΡΠΏΠ°ΡΡ Π΄ΡΡΠ³ Ρ Π΄ΡΡΠ³ΠΎΠΌ Π² Ρ
ΠΈΠΌΠΈΡΠ΅ΡΠΊΠΎΠ΅ Π²Π·Π°ΠΈΠΌΠΎΠ΄Π΅ΠΉΡΡΠ²ΠΈΠ΅ ΠΈ ΡΠ½ΠΈΡΡΠΎΠΆΠ°ΡΡ ΠΎΠΏΡΡ
ΠΎΠ»Π΅Π²ΡΠ΅ Π½ΠΎΠ²ΠΎΠΎΠ±ΡΠ°Π·ΠΎΠ²Π°Π½ΠΈΡ ΠΏΠΎΠ΄ Π΄Π΅ΠΉΡΡΠ²ΠΈΠ΅ΠΌ ΠΎΠΏΡΠ΅Π΄Π΅Π»Π΅Π½Π½ΡΡ
ΡΠ΅Π½ΡΠΈΠ±ΠΈΠ»ΠΈΠ·ΠΈΡΡΡΡΠΈΡ
Π²Π½Π΅ΡΠ½ΠΈΡ
Π²ΠΎΠ·Π΄Π΅ΠΉΡΡΠ²ΠΈΠΉ. Π Π½Π°ΡΡΠΎΡΡΠ΅ΠΉ ΡΠ°Π±ΠΎΡΠ΅ ΠΏΡΠΎΠ²Π΅Π΄Π΅Π½Ρ ΠΊΠ²Π°Π½ΡΠΎΠ²ΠΎ-Ρ
ΠΈΠΌΠΈΡΠ΅ΡΠΊΠΎΠ΅ ΠΌΠΎΠ΄Π΅Π»ΠΈΡΠΎΠ²Π°Π½ΠΈΠ΅ ΡΠ»Π΅ΠΊΡΡΠΎΠ½Π½ΠΎΠΉ ΡΡΡΡΠΊΡΡΡΡ ΠΈ Π°Π½Π°Π»ΠΈΠ· ΡΠ΅ΡΠΌΠΎΠ΄ΠΈΠ½Π°ΠΌΠΈΡΠ΅ΡΠΊΠΎΠΉ ΡΡΡΠΎΠΉΡΠΈΠ²ΠΎΡΡΠΈ Π½ΠΎΠ²ΡΡ
ΠΊΠΎΡΡΠΈΠ·ΠΎΠ½-ΡΡΠ»Π»Π΅ΡΠ΅Π½ΠΎΠ»ΠΎΠ²ΡΡ
Π°Π³Π΅Π½ΡΠΎΠ² ΡΠ΅ΡΠ°ΠΏΠΈΠΈ ΠΎΠΏΡΡ
ΠΎΠ»Π΅Π²ΡΡ
Π½ΠΎΠ²ΠΎΠΎΠ±ΡΠ°Π·ΠΎΠ²Π°Π½ΠΈΠΉ. ΠΠ΅ΠΎΠ±Ρ
ΠΎΠ΄ΠΈΠΌΠΎΡΡΡ ΠΏΡΠ΅Π΄Π²Π°ΡΠΈΡΠ΅Π»ΡΠ½ΡΡ
ΠΈΡΡΠ»Π΅Π΄ΠΎΠ²Π°Π½ΠΈΠΉ ΠΏΠΎ ΠΌΠΎΠ΄Π΅Π»ΠΈΡΠΎΠ²Π°Π½ΠΈΡ ΡΠ°ΠΊΠΎΠ³ΠΎ ΡΠΎΠ΄Π° ΠΎΠ±ΡΠ΅ΠΊΡΠΎΠ² ΠΎΠ±ΡΡΠ»ΠΎΠ²Π»Π΅Π½Π° ΠΎΡΠ΅Π½Ρ Π²ΡΡΠΎΠΊΠΎΠΉ ΡΡΡΠ΄ΠΎΠ΅ΠΌΠΊΠΎΡΡΡΡ, ΡΡΠΎΠΈΠΌΠΎΡΡΡΡ ΠΈ ΡΠ»ΠΎΠΆΠ½ΠΎΡΡΡΡ ΠΈΡ
ΠΏΡΠ°ΠΊΡΠΈΡΠ΅ΡΠΊΠΎΠ³ΠΎ ΠΏΠΎΠ»ΡΡΠ΅Π½ΠΈΡ
ΠΠ²Π°Π½ΡΠΎΠ²ΠΎ-Ρ ΠΈΠΌΠΈΡΠ΅ΡΠΊΠΎΠ΅ ΠΌΠΎΠ΄Π΅Π»ΠΈΡΠΎΠ²Π°Π½ΠΈΠ΅ Π΄ΠΎΠΊΡΠΎΡΡΠ±ΠΈΡΠΈΠ½-ΡΡΠ»Π»Π΅ΡΠ΅Π½ΠΎΠ»ΠΎΠ²ΡΡ Π°Π³Π΅Π½ΡΠΎΠ² ΡΠ΅ΡΠ°ΠΏΠΈΠΈ ΠΎΠ½ΠΊΠΎΠ»ΠΎΠ³ΠΈΡΠ΅ΡΠΊΠΈΡ Π·Π°Π±ΠΎΠ»Π΅Π²Π°Π½ΠΈΠΉ
In order to therapeutically destroy neoplasms, chemotherapy or radiotherapy is usually applied, and in isotope medicine short-lived radionuclides are injected into the tumor (59Fe, 90Y, 95Zr, 99mTc, 106Ru, 114*In, 147Eu, 148Eu, 155Eu, 170Tm, 177mLu, 188Re, 210Po, 222Rn, 230U, 237Pu, 240Cm, 241Cm, 253Es). Binary (or neutron capture) therapy is a technology designed to selectively treat malignant tumors and using drugs tropic to tumors containing non-radioactive nuclides (10B, 113Cd, 157Gd at al.). Triadic therapy is the sequential introduction into the body of a combination of two or more separately inactive and harmless components, tropic to tumor tissues and capable of selectively accumulating in them or entering into chemical interaction with each other and destroying tumor neoplasms under certain sensitizing external influences. The aim of this work is to quantum-chemically simulate the electronic structure and to analyze the thermodynamic stability of new doxorubicino-fullerenol agents for the treatment of tumor neoplasms. The need for preliminary studies on the modeling of such objects is due to the extremely high labor intensity, cost and complexity of their practical production.Π‘ ΡΠ΅Π»ΡΡ ΡΠ΅ΡΠ°ΠΏΠ΅Π²ΡΠΈΡΠ΅ΡΠΊΠΎΠ³ΠΎ ΡΠ½ΠΈΡΡΠΎΠΆΠ΅Π½ΠΈΡ Π·Π»ΠΎΠΊΠ°ΡΠ΅ΡΡΠ²Π΅Π½Π½ΡΡ
Π½ΠΎΠ²ΠΎΠΎΠ±ΡΠ°Π·ΠΎΠ²Π°Π½ΠΈΠΉ ΠΎΠ±ΡΡΠ½ΠΎ ΠΏΡΠΈΠΌΠ΅Π½ΡΡΡ Ρ
ΠΈΡΡΡΠ³ΠΈΡΠ΅ΡΠΊΠΎΠ΅ Π²ΠΌΠ΅ΡΠ°ΡΠ΅Π»ΡΡΡΠ²ΠΎ, Ρ
ΠΈΠΌΠΈΠΎΠΈΠ»ΠΈ Π»ΡΡΠ΅Π²ΡΡ ΡΠ΅ΡΠ°ΠΏΠΈΡ, Π° Π² ΠΈΠ·ΠΎΡΠΎΠΏΠ½ΠΎΠΉ ΠΌΠ΅Π΄ΠΈΡΠΈΠ½Π΅ Π²Π²ΠΎΠ΄ΡΡ Π² ΠΎΠΏΡΡ
ΠΎΠ»Ρ ΡΠΎΠΎΡΠ²Π΅ΡΡΡΠ²ΡΡΡΠΈΠ΅ ΠΊΠΎΡΠΎΡΠΊΠΎΠΆΠΈΠ²ΡΡΠΈΠ΅ ΡΠ°Π΄ΠΈΠΎΠ½ΡΠΊΠ»ΠΈΠ΄Ρ (59Fe, 90Y, 95Zr, 99mTc, 106Ru, 114*In, 147Eu, 148Eu, 155Eu, 170Tm, 177mLu, 188Re, 210Po, 222Rn, 230U, 237Pu, 240Cm, 241Cm, 253Es). ΠΠΈΠ½Π°ΡΠ½Π°Ρ (ΠΈΠ»ΠΈ Π½Π΅ΠΉΡΡΠΎΠ½ΠΎΠ·Π°Ρ
Π²Π°ΡΠ½Π°Ρ) ΡΠ΅ΡΠ°ΠΏΠΈΡ β ΡΠ΅Ρ
Π½ΠΎΠ»ΠΎΠ³ΠΈΡ, ΡΠ°Π·ΡΠ°Π±ΠΎΡΠ°Π½Π½Π°Ρ Π΄Π»Ρ ΠΈΠ·Π±ΠΈΡΠ°ΡΠ΅Π»ΡΠ½ΠΎΠ³ΠΎ Π²ΠΎΠ·Π΄Π΅ΠΉΡΡΠ²ΠΈΡ Π½Π° Π·Π»ΠΎΠΊΠ°ΡΠ΅ΡΡΠ²Π΅Π½Π½ΡΠ΅ Π½ΠΎΠ²ΠΎΠΎΠ±ΡΠ°Π·ΠΎΠ²Π°Π½ΠΈΡ ΠΈ ΠΈΡΠΏΠΎΠ»ΡΠ·ΡΡΡΠ°Ρ ΡΡΠΎΠΏΠ½ΡΠ΅ ΠΊ ΠΎΠΏΡΡ
ΠΎΠ»ΡΠΌ ΠΏΡΠ΅ΠΏΠ°ΡΠ°ΡΡ, ΡΠΎΠ΄Π΅ΡΠΆΠ°ΡΠΈΠ΅ Π½Π΅ΡΠ°Π΄ΠΈΠΎΠ°ΠΊΡΠΈΠ²Π½ΡΠ΅ Π½ΡΠΊΠ»ΠΈΠ΄Ρ (10B, 113Cd, 157Gd ΠΈ Π΄Ρ.). Π’ΡΠΈΠ°Π΄Π½Π°Ρ ΡΠ΅ΡΠ°ΠΏΠΈΡ β ΠΏΠΎΡΠ»Π΅Π΄ΠΎΠ²Π°ΡΠ΅Π»ΡΠ½ΠΎΠ΅ Π²Π²Π΅Π΄Π΅Π½ΠΈΠ΅ Π² ΠΎΡΠ³Π°Π½ΠΈΠ·ΠΌ ΠΊΠΎΠΌΠ±ΠΈΠ½Π°ΡΠΈΠΈ ΠΈΠ· Π΄Π²ΡΡ
ΠΈ Π±ΠΎΠ»Π΅Π΅ ΠΏΠΎ ΠΎΡΠ΄Π΅Π»ΡΠ½ΠΎΡΡΠΈ Π½Π΅Π°ΠΊΡΠΈΠ²Π½ΡΡ
ΠΈ Π±Π΅Π·Π²ΡΠ΅Π΄Π½ΡΡ
ΠΊΠΎΠΌΠΏΠΎΠ½Π΅Π½ΡΠΎΠ² ΡΡΠΎΠΏΠ½ΡΡ
ΠΊ ΠΎΠΏΡΡ
ΠΎΠ»Π΅Π²ΡΠΌ ΡΠΊΠ°Π½ΡΠΌ ΠΈ ΡΠΏΠΎΡΠΎΠ±Π½ΡΡ
Π² Π½ΠΈΡ
ΡΠ΅Π»Π΅ΠΊΡΠΈΠ²Π½ΠΎ Π½Π°ΠΊΠ°ΠΏΠ»ΠΈΠ²Π°ΡΡΡΡ ΠΈΠ»ΠΈ Π²ΡΡΡΠΏΠ°ΡΡ Π΄ΡΡΠ³ Ρ Π΄ΡΡΠ³ΠΎΠΌ Π² Ρ
ΠΈΠΌΠΈΡΠ΅ΡΠΊΠΎΠ΅ Π²Π·Π°ΠΈΠΌΠΎΠ΄Π΅ΠΉΡΡΠ²ΠΈΠ΅ ΠΈ ΡΠ½ΠΈΡΡΠΎΠΆΠ°ΡΡ ΠΎΠΏΡΡ
ΠΎΠ»Π΅Π²ΡΠ΅ ΠΊΠ»Π΅ΡΠΊΠΈ ΠΏΠΎΠ΄ Π΄Π΅ΠΉΡΡΠ²ΠΈΠ΅ΠΌ ΠΎΠΏΡΠ΅Π΄Π΅Π»Π΅Π½Π½ΡΡ
ΡΠ΅Π½ΡΠΈΠ±ΠΈΠ»ΠΈΠ·ΠΈΡΡΡΡΠΈΡ
Π²Π½Π΅ΡΠ½ΠΈΡ
Π²ΠΎΠ·Π΄Π΅ΠΉΡΡΠ²ΠΈΠΉ. Π¦Π΅Π»Ρ ΡΠ°Π±ΠΎΡΡ β ΠΊΠ²Π°Π½ΡΠΎΠ²ΠΎ-Ρ
ΠΈΠΌΠΈΡΠ΅ΡΠΊΠΎΠ΅ ΠΌΠΎΠ΄Π΅Π»ΠΈΡΠΎΠ²Π°Π½ΠΈΠ΅ ΡΠ»Π΅ΠΊΡΡΠΎΠ½Π½ΠΎΠΉ ΡΡΡΡΠΊΡΡΡΡ ΠΈ Π°Π½Π°Π»ΠΈΠ· ΡΠ΅ΡΠΌΠΎΠ΄ΠΈΠ½Π°ΠΌΠΈΡΠ΅ΡΠΊΠΎΠΉ ΡΡΡΠΎΠΉΡΠΈΠ²ΠΎΡΡΠΈ Π½ΠΎΠ²ΡΡ
Π΄ΠΎΠΊΡΠΎΡΡΠ±ΠΈΡΠΈΠ½-ΡΡΠ»Π»Π΅ΡΠ΅Π½ΠΎΠ»ΠΎΠ²ΡΡ
Π°Π³Π΅Π½ΡΠΎΠ² ΡΠ΅ΡΠ°ΠΏΠΈΠΈ Π·Π»ΠΎΠΊΠ°ΡΠ΅ΡΡΠ²Π΅Π½Π½ΡΡ
Π½ΠΎΠ²ΠΎΠΎΠ±ΡΠ°Π·ΠΎΠ²Π°Π½ΠΈΠΉ. ΠΠ΅ΠΎΠ±Ρ
ΠΎΠ΄ΠΈΠΌΠΎΡΡΡ ΠΏΡΠ΅Π΄Π²Π°ΡΠΈΡΠ΅Π»ΡΠ½ΡΡ
ΠΈΡΡΠ»Π΅Π΄ΠΎΠ²Π°Π½ΠΈΠΉ ΠΏΠΎ ΠΌΠΎΠ΄Π΅Π»ΠΈΡΠΎΠ²Π°Π½ΠΈΡ ΡΠ°ΠΊΠΎΠ³ΠΎ ΡΠΎΠ΄Π° ΠΎΠ±ΡΠ΅ΠΊΡΠΎΠ² ΠΎΠ±ΡΡΠ»ΠΎΠ²Π»Π΅Π½Π° ΡΡΠ΅Π·Π²ΡΡΠ°ΠΉΠ½ΠΎ Π²ΡΡΠΎΠΊΠΎΠΉ ΡΡΡΠ΄ΠΎΠ΅ΠΌΠΊΠΎΡΡΡΡ, ΡΡΠΎΠΈΠΌΠΎΡΡΡΡ ΠΈ ΡΠ»ΠΎΠΆΠ½ΠΎΡΡΡΡ ΠΈΡ
ΠΏΡΠ°ΠΊΡΠΈΡΠ΅ΡΠΊΠΎΠ³ΠΎ ΠΏΠΎΠ»ΡΡΠ΅Π½ΠΈΡ
A Quantum Computer Based on NV Centers in Diamond: Optically Detected Nutations of Single Electron and Nuclear Spins
Enhanced Adsorption Selectivity of Carbon Dioxide and Ethane on Porous Metal–Organic Framework Functionalized by a Sulfur-Rich Heterocycle
Porous metal–organic framework [Zn2(ttdc)2(bpy)] (1) based on thieno [3,2-b]thiophenedicarboxylate (ttdc) was synthesized and characterized. The structure contains intersected zig-zag channels with an average aperture of 4 × 6 Å and a 49% (v/v) guest-accessible pore volume. Gas adsorption studies confirmed the microporous nature of 1 with a specific surface area (BET model) of 952 m2·g–1 and a pore volume of 0.37 cm3·g–1. Extensive CO2, N2, O2, CO, CH4, C2H2, C2H4 and C2H6 gas adsorption experiments at 273 K and 298 K were carried out, which revealed the great adsorption selectivity of C2H6 over CH4 (IAST selectivity factor 14.8 at 298 K). The sulfur-rich ligands and double framework interpenetration in 1 result in a dense decoration of the inner surface by thiophene heterocyclic moieties, which are known to be effective secondary adsorption sites for carbon dioxide. As a result, remarkable CO2 adsorption selectivities were obtained for CO2/CH4 (11.7) and CO2/N2 (27.2 for CO2:N2 = 1:1, 56.4 for CO2:N2 = 15:85 gas mixtures). The computational DFT calculations revealed the decisive role of the sulfur-containing heterocycle moieties in the adsorption of CO2 and C2H6. High CO2 adsorption selectivity values and a relatively low isosteric heat of CO2 adsorption (31.4 kJ·mol–1) make the porous material 1 a promising candidate for practical separation of biogas as well as for CO2 sequestration from flue gas or natural gas