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1.
Nat Commun ; 15(1): 3214, 2024 Apr 13.
Artigo em Inglês | MEDLINE | ID: mdl-38615025

RESUMO

Nonlinear interactions of spin-waves and their quanta, magnons, have emerged as prominent candidates for interference-based technology, ranging from quantum transduction to antiferromagnetic spintronics. Yet magnon multiplication in the terahertz (THz) spectral region represents a major challenge. Intense, resonant magnetic fields from THz pulse-pairs with controllable phases and amplitudes enable high order THz magnon multiplication, distinct from non-resonant nonlinearities such as the high harmonic generation by below-band gap electric fields. Here, we demonstrate exceptionally high-order THz nonlinear magnonics. It manifests as 7th-order spin-wave-mixing and 6th harmonic magnon generation in an antiferromagnetic orthoferrite. We use THz two-dimensional coherent spectroscopy to achieve high-sensitivity detection of nonlinear magnon interactions up to six-magnon quanta in strongly-driven many-magnon correlated states. The high-order magnon multiplication, supported by classical and quantum spin simulations, elucidates the significance of four-fold magnetic anisotropy and Dzyaloshinskii-Moriya symmetry breaking. Moreover, our results shed light on the potential quantum fluctuation properties inherent in nonlinear magnons.

2.
Zhonghua Lao Dong Wei Sheng Zhi Ye Bing Za Zhi ; 41(10): 846-849, 2023 Oct 20.
Artigo em Chinês | MEDLINE | ID: mdl-37935552

RESUMO

Objective: To understand the epidemiological characteristics of suspected occupational diseases cases, and to track the subsequent diagnosis of suspected cases in Hubei Province from 2020 to 2021, and to provide theoretical basis for the supervision of suspected occupational diseases. Methods: In April 2022, the data of suspected occupational diseases cases and occupational diseases in Hubei Province from 2020 to 2021 were collected by the Occupational Diseases and Health Risk Factors Information Surveillance System. The distribution and diagnosis of suspected occupational diseases cases were analyzed. We investigated undiagnosed suspected occupational diseases by telephone. Results: From 2020 to 2021, a total of 1872 cases of suspected occupational diseases in 6 categories and 18 species were reported in Hubei Province. The top three suspected occupational diseases were suspected occupational noise deafness (36.75%, 688/1872), suspected coal worker's pneumoconiosis (33.07%, 619/1872) and suspected silicosis (20.99%, 393/1872). The diagnosis rate of suspected occupational diseases was 33.60% (629/1872). The rate of confirmed diagnosis was 63.59% (400/629). The diagnosis rate (26.86%, 456/1698) and rate of confirmed diagnosis (55.48%, 253/456) of suspected occupational diseases detected by occupational health examination were the lowest. The diagnosis rate of suspected occupational diseases detected by comprehensive medical institutions and private medical institutions were lower than disease prevention and control institutions and occupational disease prevention center (P<0.05). The main reasons for not entering the diagnostic procedure included that workers were not informed that they were diagnosed as suspected occupational diseases (31.55%, 124/393), workers were unwilling to apply for occupational disease diagnosis (18.56%, 73/393), and some workers planned to apply for diagnosis but had not yet applied (10.69%, 42/393) . Conclusion: Occupational noise deafness, coal worker's pneumoconiosis and silicosis are the main diseases of suspected occupational diseases in Hubei Province. In order to increase the diagnosis rate and confirmed diagnosis rate of suspected occupational diseases, it is suggested to strengthen management and supervision from the aspects of case management, information warning and worker notification.


Assuntos
Antracose , Minas de Carvão , Surdez , Perda Auditiva Provocada por Ruído , Doenças Profissionais , Pneumoconiose , Silicose , Humanos , Pneumoconiose/epidemiologia , Seguimentos , Doenças Profissionais/diagnóstico , Doenças Profissionais/epidemiologia , Antracose/epidemiologia , China/epidemiologia
3.
Beijing Da Xue Xue Bao Yi Xue Ban ; 55(1): 186-189, 2023 Feb 18.
Artigo em Chinês | MEDLINE | ID: mdl-36718710

RESUMO

Severe hypokalemia is defined as the concentration of serum potassium lower than 2.5 mmol/L, which may lead to serious arrhythmias and cause mortality. We report an unusual case of potentially fatal ventricular arrhythmias induced by severe hypokalemia in a patient undergoing laparoscopic partial nephrectomy in Peking University Third Hospital due to irregular use of indapamide before operation. Indapamide is a sulfonamide diuretic with vasodilative and calcium antagonistic effects, which enhances sodium delivery to the renal distal tubules resulting in a dose-related increase in urinary potassium excretion and decreases serum potassium concentrations. The electrolyte disorder caused by the diuretic is more likely to occur in the elderly patients, especially those with malnutrition or long-term fasting. Hence, the serum potassium concentration of the patients under indapamide therapy, especially elderly patients, should be monitored carefully. Meanwhile, the potassium concentration measured by arterial blood gas analysis is different from that measured by venous blood or laboratory test. According to the previous research, the concentration of potassium in venous blood was slightly higher than that in arterial blood, and the difference value was 0.1-0.5 mmol/L. This error should be taken into account when rapid intravenous potassium supplementation or reduction of blood potassium level was carried out clinically. In the correction of severe hypokalemia, the standard approach often did not work well for treating severe hypokalemia. The tailored rapid potassium supplementation strategy shortened the time of hypokalemia and was a safe and better treatment option to remedy life-threatening arrhythmias caused by severe hypokalemia with a high success rate. Through the anesthesia management of this case, we conclude that for the elderly patients who take indapamide or other potassium excretion diuretics, the electrolyte concentration and the general volume state of the patients should be comprehensively measured and fully evaluated before operation. It may be necessary for us to reexamine the serum electrolyte concentration before anesthesia induction on the morning of surgery in patients with the history of hypokalemia. For severe hypokalemia detected after anesthesia, central venous cannulation access for individualized rapid potassium supplementation is an effective approach to reverse the life-threatening arrhythmias caused by severe hypokalemia and ensure the safety of the patients.


Assuntos
Hipopotassemia , Indapamida , Humanos , Idoso , Hipopotassemia/induzido quimicamente , Hipopotassemia/complicações , Indapamida/efeitos adversos , Arritmias Cardíacas/induzido quimicamente , Arritmias Cardíacas/terapia , Diuréticos/efeitos adversos , Potássio , Eletrólitos/efeitos adversos , Anestesia Geral/efeitos adversos
4.
Zhonghua Lao Dong Wei Sheng Zhi Ye Bing Za Zhi ; 40(11): 845-850, 2022 Nov 20.
Artigo em Chinês | MEDLINE | ID: mdl-36510720

RESUMO

Objective: To understand the current situation of high-frequency hearing loss of workers exposed to occupational noise in Hubei Province and its multi-level influencing factors. Methods: In June 2021, the basic information, occupational history, physical examination results and other relevant information in the "Occupational Health Examinations Case Cards" for noise workers in Hubei Province in 2020 were extracted from the subsystem of the "China Disease Prevention and Control Information System". Multilevel level of logistic model was used to analyze the related factors of high-frequency hearing loss of noise-exposed workers. Results: In 2020, the incidence rate of occupational high-frequency hearing loss in Hubei Province was 8.25% (6450/78152), and the incidence rate in various regions of the province ranged from 1.13% to 19.87%. At the individual level, male, ≥ 30 years of age, 6-10 years of service, small and micro enterprises, as well as construction, mining, manufacturing, transportation and rental services were the risk factors for high-frequency hearing loss (P<0.05). The risk of high-frequency hearing loss among workers in foreign-funded enterprises was significantly lower than that of workers in state-owned/collective enterprises (P<0.05). At the regional level, the younger the age of the employees, the lower the risk of high-frequency hearing loss (P<0.05). There was no significant correlation between the regional economic level and the risk of high-frequency hearing loss (P>0.05) . Conclusion: The incidence rate of occupational high-frequency hearing loss in Hubei Province is low in 2020, but the incidence rate varies greatly in different regions of the province, mainly due to differences in employment age, while the development of regional economic level has not reduced the risk of occupational high-frequency hearing loss.


Assuntos
Perda Auditiva Provocada por Ruído , Ruído Ocupacional , Doenças Profissionais , Exposição Ocupacional , Masculino , Humanos , Criança , Perda Auditiva de Alta Frequência , Perda Auditiva Provocada por Ruído/epidemiologia , Perda Auditiva Provocada por Ruído/diagnóstico , Doenças Profissionais/epidemiologia , Exposição Ocupacional/efeitos adversos , Ruído Ocupacional/efeitos adversos
5.
Artigo em Chinês | MEDLINE | ID: mdl-35785895

RESUMO

Objective: The epidemiological characteristics and trend of occupational pneumoconiosis in Hubei Province from 2011 to 2020 were analyzed to provide a theoretical basis for the development of prevention and control strategies for occupational pneumoconiosis. Methods: In March 2021, the data of newly occupational pneumoconiosis in Hubei Province from 2011 to 2020 were collected by the Occupational Diseases and Health Risk Factors Information Surveillance System. Descriptive statistics were adopted to analyze basic situation, region, industry, type of disease, year of diagnosis, age of onset and dust exposureduration of the cases. Results: From 2011 to 2020, a total of 7203 new cases of occupational pneumoconiosis were reported in Hubei Province, including 7125 (98.92%) men and 78 (1.08%) women. The average age of onset was (54.03±10.12) years old. The average duration of dust exposure was (13.80±9.56) years. The mainly types of pneumoconiosis were coal worker's pneumoconiosis (3593 cases, 49.88%) and silicosis (3301 cases, 45.83%). The cases included 4814 cases (66.83%) of stage Ⅰ pneumoconiosis, 1270 cases (17.63%) of stage Ⅱ and 1119 cases (15.54%) of stage Ⅲ. New cases mainly distributed in Yichang City (1586 cases, 22.02%), Shiyan City (1257 cases, 17.45%), Enshi Tujia and Miao Autonomous Prefecture (1050 cases, 14.58%) and Huangshi City (1009 cases, 14.01%), and occurred most frequently in coal mining and washing industry (3743 cases, 51.96%) and nonmetallic mining industry (582 cases, 8.08%). Pneumoconiosis patients of stage Ⅲ were mainly distributed in small enterprises (401 cases, 50.25%) and domestic enterprises (796 cases, 99.75%) . Conclusion: Coal worker's pneumoconiosis and silicosis accounted for the vast majority pneumoconiosis in Hubei Province. The new cases show obvious regions, industries and type of disease distribution. We should strengthen occupational health supervision in small and domestic enterprises.


Assuntos
Antracose , Minas de Carvão , Pneumoconiose , Silicose , Adulto , Antracose/epidemiologia , Poeira , Feminino , Humanos , Masculino , Pessoa de Meia-Idade , Pneumoconiose/epidemiologia , Silicose/epidemiologia
6.
Zhonghua Lao Dong Wei Sheng Zhi Ye Bing Za Zhi ; 39(10): 748-751, 2021 Oct 20.
Artigo em Chinês | MEDLINE | ID: mdl-34727655

RESUMO

Objective: To explore the effect of occupational aluminum (Al) exposure on workers' overall cognitive level and speech function. Methods: In July 2019, by using cluster sampling method, the group of 232 exposed to Al from an Al plant in Shanxi Province were selected as the exposed group, and the group of 228 not exposed to Al were selected as the control group. The blood Al concentration was determined by inductively coupled plasma mass spectrometry (ICP-MAS) . The exposed group was divided into high exposure group and low exposure group according to the median (M) concentration of Al in serum. The general cognitive function and speech function were evaluated with the Montreal Cognitive Assessment Scale (MoCA) , and the differences in the general cognitive function and speech function between the groups were compared, and non-conditional logistic regression was used to analyze the possible influencing factors of mild cognitive impairment (MCI) . Results: There were significant differences in age, working age, education and drinking status between Al exposed group and control group (P<0.05) . The total MoCA score, animal naming tese (ANT) score and category fluency repetition (CFT) score in Al exposure group were lower than control group and the differences were statistically significant (P<0.05) . The full rate of ANT was lower than that of CFT in Al exposure group (P<0.05) . The total MoCA score, ANT score and CFT score in the high exposure group were significantly lower than those in the control group (P<0.05) . The score of MoCA, ANT and CFT in high exposure group were lower than those in low exposure group between the level of serum aluminum>60 µg/L group and ≤60 µg/L group (P<0.05) . Logistic regression analysis showed that working age, serun Al concentration, ANT score, CFT score and SR score were the possible influencing factors of MCI in occupational Al exposure workers (P<0.05) . Conclusion: Occupational Al exposure can lead to impaired speech function of workers, the higher the ANT score, CFT score and SR score, the lower working age and serum Al concentration, the lower risk of MCI.


Assuntos
Disfunção Cognitiva , Exposição Ocupacional , Alumínio , Cognição , Disfunção Cognitiva/induzido quimicamente , Disfunção Cognitiva/epidemiologia , Humanos , Testes Neuropsicológicos
7.
J Genet ; 1002021.
Artigo em Inglês | MEDLINE | ID: mdl-34608873

RESUMO

Platygaster robiniae Buhl and Duso (Hymenoptera: Platygastridae) is an egg-larvae parasitoid of the black locust gall midge (Obolodiplosis robiniae) (Haldeman) (Diptera: Cecidomyiidae) which is a serious invasive pest in China, where it attacks an important hardwood species, the black locust tree, Robini pseudoacacia L. (Fabales: Fabaceae). Despite the use of P. robiniae as an effective biocontrol agent, the absence of sequence data and other molecular markers have limited its genetic applications for pest management in forests. Simple-sequence repeats (SSRs) are valuable molecular markers for population genetic structure studies. In the present study, we identified 14,123 SSRs, of which 7799 SSR primer pairs were successfully designed. Subsequently, 240 SSR were chosen and tested with 48 P. robiniae accessions from two geographically separated populations in north and south China. Of these, 34 were polymorphic, with an average of three alleles (Na) and four genotypes (NG) each. The average values of observed heterozygosity (Ho) was 0.3514, expected heterozygosity (He) 0.4167, Shannon's information index (I) 0.7143, and polymorphism information content (PIC) 0.3558, respectively. Neighbour joining analysis (bootstrap 1000) revealed that Chengdu (CD) and Dangdong (DD) popluations clustered into two main divisions, and some individuals from two popluations clustered together as the third devision, which indicated the gene flow and genetic differentiation were present between two populations. Our finding indicates that these SSR markers will be useful for further studies on the genotype identification and genetic mapping of the genus Platygaster.


Assuntos
Himenópteros/genética , Repetições de Microssatélites , Animais , Agentes de Controle Biológico , China , Marcadores Genéticos , Variação Genética , Genética Populacional , Genótipo , Heterozigoto , Sequenciamento de Nucleotídeos em Larga Escala
8.
Mol Biotechnol ; 61(5): 355-364, 2019 May.
Artigo em Inglês | MEDLINE | ID: mdl-30637606

RESUMO

N6-methyladenosine (m6A) is the most abundant-internal modification of eukaryotic mRNA. m6A can be installed and removed by specific enzymes. The "writer," "eraser," and "reader" of m6A modification have been reported. These discoveries facilitate our understanding of the functional significance of m6A. m6A plays an essential role in diverse biological processes by recruiting the corresponding YTH domain-containing proteins, as well as recruiting additional translation initiation factors. Here, we provide an update on the various aspects of YTH domain-containing proteins, including an introduction to the YTH domain, the categories, distribution in cells, and biological roles of YTH proteins. Then we focus on the mechanisms that YTH proteins recognize m6A and mediate the fate of methylated-RNAs in eukaryotic cells.


Assuntos
Adenosina/análogos & derivados , Proteínas de Ligação a RNA/química , Proteínas de Ligação a RNA/metabolismo , Adenosina/metabolismo , Sítios de Ligação , Epigênese Genética , Ligação Proteica , Domínios Proteicos , RNA Mensageiro/química , RNA Mensageiro/metabolismo
9.
J Chem Theory Comput ; 12(10): 4806-4811, 2016 Oct 11.
Artigo em Inglês | MEDLINE | ID: mdl-27564237

RESUMO

We recently proposed the correlation matrix renormalization (CMR) theory to treat the electronic correlation effects [Phys. Rev. B 2014, 89, 045131 and Sci. Rep. 2015, 5, 13478] in ground state total energy calculations of molecular systems using the Gutzwiller variational wave function (GWF). By adopting a number of approximations, the computational effort of the CMR can be reduced to a level similar to Hartree-Fock calculations. This paper reports our recent progress in minimizing the error originating from some of these approximations. We introduce a novel sum-rule correction to obtain a more accurate description of the intersite electron correlation effects in total energy calculations. Benchmark calculations are performed on a set of molecules to show the reasonable accuracy of the method.

10.
Sci Rep ; 5: 13478, 2015 Aug 28.
Artigo em Inglês | MEDLINE | ID: mdl-26315767

RESUMO

We present an efficient method for calculating the electronic structure and total energy of strongly correlated electron systems. The method extends the traditional Gutzwiller approximation for one-particle operators to the evaluation of the expectation values of two particle operators in the many-electron Hamiltonian. The method is free of adjustable Coulomb parameters, and has no double counting issues in the calculation of total energy, and has the correct atomic limit. We demonstrate that the method describes well the bonding and dissociation behaviors of the hydrogen and nitrogen clusters, as well as the ammonia composed of hydrogen and nitrogen atoms. We also show that the method can satisfactorily tackle great challenging problems faced by the density functional theory recently discussed in the literature. The computational workload of our method is similar to the Hartree-Fock approach while the results are comparable to high-level quantum chemistry calculations.

11.
Phys Rev Lett ; 111(2): 027002, 2013 Jul 12.
Artigo em Inglês | MEDLINE | ID: mdl-23889432

RESUMO

Using resistivity, heat-capacity, thermal-expansion, and susceptibility measurements we study the normal-state behavior of KFe2As2. Both the Sommerfeld coefficient (γ≈103 mJ mol(-1) K(-2)) and the Pauli susceptibility (χ≈4×10(-4)) are strongly enhanced, which confirm the existence of heavy quasiparticles inferred from previous de Haas-van Alphen and angle-resolved photoemission spectroscopy experiments. We discuss this large enhancement using a Gutzwiller slave-boson mean-field calculation, which shows the proximity of KFe2As2 to an orbital-selective Mott transition. The temperature dependence of the magnetic susceptibility and the thermal expansion provide strong experimental evidence for the existence of a coherence-incoherence crossover, similar to what is found in heavy fermion and ruthenate compounds, due to Hund's coupling between orbitals.

12.
J Phys Condens Matter ; 25(10): 105302, 2013 Mar 13.
Artigo em Inglês | MEDLINE | ID: mdl-23399804

RESUMO

Structural and electronic properties, including deformation, magnetic moment, Mulliken population, bond order, as well as electronic transport properties, of zigzag graphene nanoribbon (ZGNR) with Co adatoms on hollow sites are investigated by quasi-atomic minimal basis orbits (QUAMBOs), a first-principles tight binding (TB) scheme based on density functional theory (DFT), combined with a non-equilibrium Green's function. For electronic transport, below the Fermi level the transmission is strongly suppressed and spin dependent as a result of magnetism by Co adatom adsorption, while above the Fermi level the transmission is slightly distorted and spin independent. Due to the local environment dependence of QUAMBOs-TB parameters, we construct QUAMBOs-TB parameters of ZGNR leads and ZGNR with Co adatoms on hollow center sites by a divide-and-conquer approach, and accurately reproduce the electronic transmission behavior. Our QUAMBO-NEGF method is a new and promising way of examining electronic transport in large-scale systems.

13.
Phys Chem Chem Phys ; 14(25): 9157-66, 2012 Jul 07.
Artigo em Inglês | MEDLINE | ID: mdl-22641290

RESUMO

We present a systematic study of metal adatom adsorption on graphene by ab initio calculations. The calculations cover alkali metals, sp-simple metals, 3d and group 10 transition metals, noble metals, as well as rare earth metals. The correlation between the adatom adsorption properties and the growth morphology of the metals on graphene is also investigated. We show that the growth morphology is related to the ratio of the metal adsorption energy to its bulk cohesive energy (E(a)/E(c)) and the diffusion barrier (ΔE) of the metal adatom on graphene. Charge transfer, electric dipole and magnetic moments, and graphene lattice distortion induced by metal adsorption would also affect the growth morphologies of the metal islands. We also show that most of the metal nanostructures on graphene would be thermally stable against coarsening.

14.
J Phys Condens Matter ; 23(23): 235104, 2011 Jun 15.
Artigo em Inglês | MEDLINE | ID: mdl-21613690

RESUMO

An ab initio molecular dynamics (MD) simulation is performed to investigate the structural evolution in Al(90)Sm(10) liquid from 1500 to 900 K. Development of Al(11)Sm(3) local order upon rapid cooling is suggested by the Honeycutt-Anderson (HA) index analysis and the appearance of a predominant Sm-Sm-Sm bond angle around 90° when the liquid approaches the melting point (∼920 K). Direct structural evidence of Al(11)Sm(3) fragments at 900 K is obtained using an atomic cluster alignment method developed recently. Meanwhile, development of strong icosahedral short range order (ISRO) and a non-negligible amount of fcc-type clusters around Al in the system are also observed. These results suggest that fcc Al and Al(11)Sm(3) crystalline phases would compete strongly with the formation of an amorphous phase that exhibits ISRO in the diffusionless solidification limit upon rapid quenching.

15.
J Phys Condens Matter ; 23(2): 025302, 2011 Jan 19.
Artigo em Inglês | MEDLINE | ID: mdl-21406839

RESUMO

The electronic structure and transport property of a carbon chain between two graphene nanoribbon leads are studied using an ab initio tight-binding (TB) model and Landauer's formalism combined with a non-equilibrium Green's function. The TB Hamiltonian and overlap matrices are extracted from first-principles density functional calculations through the quasi-atomic minimal basis orbital scheme. The accuracy of the TB model is demonstrated by comparing the electronic structure from the TB model with that from first-principles density functional theory. The results of electronic transport on a carbon atomic chain connected to armchair and zigzag graphene ribbon leads, such as different transport characters near the Fermi level and at most one quantized conductance, reveal the effect of the electronic structure of the leads and the scattering from the atomic chain. In addition, bond length alternation and an interesting transmission resonance are observed in the atomic chain connected to zigzag graphene ribbon leads. Our approach provides a promising route to quantitative investigation of both the electronic structure and transport property of large systems.


Assuntos
Carbono/química , Condutividade Elétrica , Elétrons , Grafite/química , Nanotubos de Carbono/química , Simulação por Computador , Eletrônica , Teoria Quântica
16.
Faraday Discuss ; 152: 227-39; discussion 293-306, 2011.
Artigo em Inglês | MEDLINE | ID: mdl-22455047

RESUMO

One important aid in understanding catalysis by gold nanoparticles would be to understand the strength with which they bond to different support materials and the strength with which they bond adsorbed intermediates, and how these strengths depend on nanoparticle size. We present here new measurements of adsorption energies by single crystal adsorption calorimetry, and new analyses of other recent measurements by this technique in our lab, which imply that: (1) small nanoparticles of metals like Au bind much more strongly to supports like titania and iron oxide which are generally observed to be effective in making Au nanoparticles active in catalysis than to supports like MgO which are considered less effective, (2) the thermodynamic stability of adsorbed intermediates for catalytic reactions can either increase strongly or decrease strongly with decreasing metal nanoparticle size below 8 nm, depending on the system, and (3) the reaction to insert O2 into the Au-H bond of adsorbed H on the Au(111) surface to make Au-OOH (O2,g + H(ad) --> OOH(ad)) is exothermic by -80 kJ mol(-1). This adsorbed hydroperoxy species is thought to be a key intermediate in selective oxidation reactions over Au nanoparticle catalysts, but its production by this reaction may also provide a route for O2 activation in less demanding reactions (like CO oxidation) as well. Its stability would be even higher on Au nanoparticles below 3 nm in diameter, but even there it is too unstable to be formed by combining adsorbed OH with an O adatom (OH(ad) + O(ad) --> OOH(ad)), which is estimated to be endothermic by 175 kJ mol(-1). The implications of the stability of metal nanoparticles versus particle size on different supports and of the stability and potential reactions of OOH(ad) in Au catalysis will be discussed.

17.
Sci Rep ; 1: 194, 2011.
Artigo em Inglês | MEDLINE | ID: mdl-22355709

RESUMO

The structural description of disordered systems has been a longstanding challenge in physical science. We propose an atomic cluster alignment method to reveal the development of three-dimensional topological ordering in a metallic liquid as it undercools to form a glass. By analyzing molecular dynamic (MD) simulation trajectories of a Cu(64.5)Zr(35.5) alloy, we show that medium-range order (MRO) develops in the liquid as it approaches the glass transition. Specifically, around Cu sites, we observe "Bergman triacontahedron" packing (icosahedron, dodecahedron and icosahedron) that extends out to the fourth shell, forming an interpenetrating backbone network in the glass. The discovery of Bergman-type MRO from our order-mining technique provides unique insights into the topological ordering near the glass transition and the relationship between metallic glasses and quasicrystals.

18.
J Phys Condens Matter ; 21(23): 235501, 2009 Jun 10.
Artigo em Inglês | MEDLINE | ID: mdl-21825587

RESUMO

We demonstrate an efficient and accurate first-principles method to calculate the electronic structure of a large system using a divide-and-conquer strategy based on localized quasi-atomic minimal basis set orbitals recently developed. Tight-binding Hamiltonian and overlap matrices of a large system can be constructed by extracting the matrix elements for a given pair of atoms from first-principles calculations of smaller systems that represent the local bonding environment of the particular atom pair. The approach is successfully applied to the studies of electronic structure in graphene nanoribbons. This provides a promising way to do the electronic simulation for large systems directly from first principles.

19.
Sheng Li Xue Bao ; 53(6): 483-9, 2001 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-11930231

RESUMO

The effects of nitric oxide (NO) donor sodium nitroprusside (SNP) on the proliferation and apoptosis and on Bcl-2, Bax and p53 proteins of pulmonary fibroblasts were investigated by using MTT cleavage assay, agarose gel electrophoresis and flow cytometric analysis. The results showed increases in the optical density (550 nm) of MTT cleavage assay, the number of cells and the proliferation index (PI), in comparison with the control. The number of apoptotic cells was also increased, though the percentage of apoptotic cells was too low to reveal oligonucleosomal fragmentation of characteristic ladder pattern, which is associated with apoptosis. In the meantime, the level of Bcl-2 decreased and that of Bax increased, while the p53 remained unchanged. These results suggest that exogenous NO has a dual effect on proliferation and apoptosis; and the action of NO on pulmonary fibroblasts is mainly proliferative. Down regulation of Bcl-2 and up regulation of Bax are implicated in the molecular mechanisms of this action.


Assuntos
Apoptose/efeitos dos fármacos , Fibroblastos/efeitos dos fármacos , Pulmão/citologia , Doadores de Óxido Nítrico/farmacologia , Nitroprussiato/farmacologia , Animais , Divisão Celular/efeitos dos fármacos , Células Cultivadas , Ratos , Ratos Sprague-Dawley
20.
Zhonghua Wai Ke Za Zhi ; 25(10): 604-7, 1987 Oct.
Artigo em Chinês | MEDLINE | ID: mdl-3329609
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