Your browser doesn't support javascript.
loading
Mostrar: 20 | 50 | 100
Resultados 1 - 20 de 20
Filtrar
Mais filtros

Base de dados
País/Região como assunto
Tipo de documento
Intervalo de ano de publicação
1.
Proc Natl Acad Sci U S A ; 121(16): e2401148121, 2024 Apr 16.
Artigo em Inglês | MEDLINE | ID: mdl-38602914

RESUMO

The oxidation of cycloalkanes is important in the combustion of transportation fuels and in atmospheric secondary organic aerosol formation. A transient carbon-centered radical intermediate (•QOOH) in the oxidation of cyclohexane is identified through its infrared fingerprint and time- and energy-resolved unimolecular dissociation dynamics to hydroxyl (OH) radical and bicyclic ether products. Although the cyclohexyl ring structure leads to three nearly degenerate •QOOH isomers (ß-, γ-, and δ-QOOH), their transition state (TS) barriers to OH products are predicted to differ considerably. Selective characterization of the ß-QOOH isomer is achieved at excitation energies associated with the lowest TS barrier, resulting in rapid unimolecular decay to OH products that are detected. A benchmarking approach is employed for the calculation of high-accuracy stationary point energies, in particular TS barriers, for cyclohexane oxidation (C6H11O2), building on higher-level reference calculations for the smaller ethane oxidation (C2H5O2) system. The isomer-specific characterization of ß-QOOH is validated by comparison of experimental OH product appearance rates with computed statistical microcanonical rates, including significant heavy-atom tunneling, at energies in the vicinity of the TS barrier. Master-equation modeling is utilized to extend the results to thermal unimolecular decay rate constants at temperatures and pressures relevant to cyclohexane combustion.

2.
J Chem Inf Model ; 2024 Jul 01.
Artigo em Inglês | MEDLINE | ID: mdl-38950894

RESUMO

Information extraction from chemistry literature is vital for constructing up-to-date reaction databases for data-driven chemistry. Complete extraction requires combining information across text, tables, and figures, whereas prior work has mainly investigated extracting reactions from single modalities. In this paper, we present OpenChemIE to address this complex challenge and enable the extraction of reaction data at the document level. OpenChemIE approaches the problem in two steps: extracting relevant information from individual modalities and then integrating the results to obtain a final list of reactions. For the first step, we employ specialized neural models that each address a specific task for chemistry information extraction, such as parsing molecules or reactions from text or figures. We then integrate the information from these modules using chemistry-informed algorithms, allowing for the extraction of fine-grained reaction data from reaction condition and substrate scope investigations. Our machine learning models attain state-of-the-art performance when evaluated individually, and we meticulously annotate a challenging dataset of reaction schemes with R-groups to evaluate our pipeline as a whole, achieving an F1 score of 69.5%. Additionally, the reaction extraction results of OpenChemIE attain an accuracy score of 64.3% when directly compared against the Reaxys chemical database. OpenChemIE is most suited for information extraction on organic chemistry literature, where molecules are generally depicted as planar graphs or written in text and can be consolidated into a SMILES format. We provide OpenChemIE freely to the public as an open-source package, as well as through a web interface.

3.
J Acoust Soc Am ; 155(3): 1950-1968, 2024 Mar 01.
Artigo em Inglês | MEDLINE | ID: mdl-38466045

RESUMO

Micro-perforated panel (MPP) absorbers exhibit multiple resonance bands with increased bandwidth narrowing and shifting in higher frequencies, limiting their effectiveness. This study investigates the effects of narrowing and shifting in higher-order resonance bands of MPP absorbers. First, an acoustic impedance model for MPP absorbers is introduced, and the narrowing and shifting coefficients are defined and modeled to quantify these effects. It is observed that a larger ratio of acoustic resistance to acoustic mass is favorable for reducing the narrowing and shifting effects. Subsequently, the theoretical model is validated using a numerical model, and a parametric study is conducted to explore the influence of geometric parameters on the narrowing and shifting effects. The study reveals that decreasing aperture and panel thickness, while increasing perforation ratio and cavity depth, reduces the narrowing and shifting coefficients. Remarkably, ultra-micro-perforated panels (UMPPs) with an aperture below 0.1 mm and perforation constant below 0.0046, having relatively larger acoustic resistance and smaller acoustic mass, demonstrate near-zero band narrowing and shifting. Finally, UMPPs are fabricated using micro-electro-mechanical systems (MEMS) technology, and their normal absorption coefficients are measured. Results align with theoretical predictions, confirming UMPPs' ability to achieve zero narrowing and shifting compared to ordinary MPPs and verifying the study's findings.

4.
J Chem Inf Model ; 63(13): 4030-4041, 2023 07 10.
Artigo em Inglês | MEDLINE | ID: mdl-37368970

RESUMO

Reaction diagram parsing is the task of extracting reaction schemes from a diagram in the chemistry literature. The reaction diagrams can be arbitrarily complex; thus, robustly parsing them into structured data is an open challenge. In this paper, we present RxnScribe, a machine learning model for parsing reaction diagrams of varying styles. We formulate this structured prediction task with a sequence generation approach, which condenses the traditional pipeline into an end-to-end model. We train RxnScribe on a dataset of 1378 diagrams and evaluate it with cross validation, achieving an 80.0% soft match F1 score, with significant improvements over previous models. Our code and data are publicly available at https://github.com/thomas0809/RxnScribe.


Assuntos
Aprendizado de Máquina
5.
J Chem Inf Model ; 63(7): 1925-1934, 2023 04 10.
Artigo em Inglês | MEDLINE | ID: mdl-36971363

RESUMO

Molecular structure recognition is the task of translating a molecular image into its graph structure. Significant variation in drawing styles and conventions exhibited in chemical literature poses a significant challenge for automating this task. In this paper, we propose MolScribe, a novel image-to-graph generation model that explicitly predicts atoms and bonds, along with their geometric layouts, to construct the molecular structure. Our model flexibly incorporates symbolic chemistry constraints to recognize chirality and expand abbreviated structures. We further develop data augmentation strategies to enhance the model robustness against domain shifts. In experiments on both synthetic and realistic molecular images, MolScribe significantly outperforms previous models, achieving 76-93% accuracy on public benchmarks. Chemists can also easily verify MolScribe's prediction, informed by its confidence estimation and atom-level alignment with the input image. MolScribe is publicly available through Python and web interfaces: https://github.com/thomas0809/MolScribe.


Assuntos
Benchmarking , Estrutura Molecular
6.
J Am Chem Soc ; 144(13): 5945-5955, 2022 04 06.
Artigo em Inglês | MEDLINE | ID: mdl-35344666

RESUMO

A novel allylic 1,6 hydrogen-atom-transfer mechanism is established through infrared activation of the 2-butenal oxide Criegee intermediate, resulting in very rapid unimolecular decay to hydroxyl (OH) radical products. A new precursor, Z/E-1,3-diiodobut-1-ene, is synthesized and photolyzed in the presence of oxygen to generate a new four-carbon Criegee intermediate with extended conjugation across the vinyl and carbonyl oxide groups that facilitates rapid allylic 1,6 H-atom transfer. A low-energy reaction pathway involving isomerization of 2-butenal oxide from a lower-energy (tZZ) conformer to a higher-energy (cZZ) conformer followed by 1,6 hydrogen transfer via a seven-membered ring transition state is predicted theoretically and shown experimentally to yield OH products. The low-lying (tZZ) conformer of 2-butenal oxide is identified based on computed anharmonic frequencies and intensities of its conformers. Experimental IR action spectra recorded in the fundamental CH stretch region with OH product detection by UV laser-induced fluorescence reveal a distinctive IR transition of the low-lying (tZZ) conformer at 2996 cm-1 that results in rapid unimolecular decay to OH products. Statistical RRKM calculations involving a combination of conformational isomerization and unimolecular decay via 1,6 H-transfer yield an effective decay rate keff(E) on the order of 108 s-1 at ca. 3000 cm-1 in good accord with the experiment. Unimolecular decay proceeds with significant enhancement due to quantum mechanical tunneling. A rapid thermal decay rate of ca. 106 s-1 is predicted by master-equation modeling of 2-butenal oxide at 298 K, 1 bar. This novel unimolecular decay pathway is expected to increase the nonphotolytic production of OH radicals upon alkene ozonolysis in the troposphere.


Assuntos
Radical Hidroxila , Óxidos , Alcenos , Hidrogênio , Conformação Molecular
7.
J Chem Phys ; 156(1): 014301, 2022 Jan 07.
Artigo em Inglês | MEDLINE | ID: mdl-34998315

RESUMO

Infrared (IR) action spectroscopy is utilized to characterize a prototypical carbon-centered hydroperoxyalkyl radical (•QOOH) transiently formed in the oxidation of volatile organic compounds. The •QOOH radical formed in isobutane oxidation, 2-hydroperoxy-2-methylprop-1-yl, •CH2(CH3)2COOH, is generated in the laboratory by H-atom abstraction from tert-butyl hydroperoxide (TBHP). IR spectral features of jet-cooled and stabilized •QOOH radicals are observed from 2950 to 7050 cm-1 at energies that lie below and above the transition state barrier leading to OH radical and cyclic ether products. The observed •QOOH features include overtone OH and CH stretch transitions, combination bands involving OH or CH stretch and a lower frequency mode, and fundamental OH and CH stretch transitions. Most features arise from a single vibrational transition with band contours well simulated at a rotational temperature of 10 K. In each case, the OH products resulting from unimolecular decay of vibrationally activated •QOOH are detected by UV laser-induced fluorescence. Assignments of observed •QOOH IR transitions are guided by anharmonic frequencies computed using second order vibrational perturbation theory, a 2 + 1 model that focuses on the coupling of the OH stretch with two low-frequency torsions, as well as recently predicted statistical •QOOH unimolecular decay rates that include heavy-atom tunneling. Most of the observed vibrational transitions of •QOOH are readily distinguished from those of the TBHP precursor. The distinctive IR transitions of •QOOH, including the strong fundamental OH stretch, provide a general means for detection of •QOOH under controlled laboratory and real-world conditions.

8.
Cardiol Young ; 31(2): 179-185, 2021 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-33124528

RESUMO

BACKGROUND: Kawasaki disease is a type of acute febrile rash disease that is common in children and is characterised by primary lesions of systemic middle and small vasculitis, which can lead to coronary artery lesions. Manganese superoxide dismutase (MnSOD), one of the most important antioxidases in the human body, plays a key role in maintaining the balance of free radicals in the human body. Two single-nucleotide polymorphisms (SNPS) (rs4880 and rs5746136) in the MnSOD gene were related to oxidative stress disease. The purpose of this study is to explore the possible relationship between MnSOD gene polymorphisms and Kawasaki disease susceptibility. METHODS: This study included 100 Kawasaki disease children and 102 healthy children. Two single-nucleotide polymorphisms (rs4880 and rs5746136) were detected by polymerase chain reaction sequence-based typing. RESULTS: There was a significant difference in both the genotype frequency (χ2 = 10.805, p = 0.005) and the allele frequency (χ2 = 7.948, p = 0.005) of rs5746136 between the Kawasaki disease group and the control group. Children with the A allele had a 0.558 times lower risk of Kawasaki disease than those without the A allele (χ2 = 7.948, p = 0.005, odds ratio = 0.558, 95% confidence interval = 0.371-0.838). There was no significant difference in the genotype and gene frequencies of rs5746136 between the Kawasaki disease-coronary artery lesion and Kawasaki disease-without coronary artery lesion groups (p > 0.05), and there was no significant difference in the rs4880 genotype and allele frequencies between the Kawasaki disease and healthy control groups or between the Kawasaki disease-coronary artery lesion and Kawasaki disease-without coronary artery lesions groups (p > 0.05). CONCLUSION: This study provides evidence supporting an association between MnSOD gene polymorphisms and susceptibility to Kawasaki disease. The genotype AA and the allele A of the MnSOD gene locus rs5746136 were risk factors for Kawasaki disease.


Assuntos
Síndrome de Linfonodos Mucocutâneos , Estudos de Casos e Controles , Criança , China/epidemiologia , Frequência do Gene , Predisposição Genética para Doença , Genótipo , Humanos , Síndrome de Linfonodos Mucocutâneos/epidemiologia , Síndrome de Linfonodos Mucocutâneos/genética , Polimorfismo de Nucleotídeo Único , Superóxido Dismutase/genética
9.
Sensors (Basel) ; 16(9)2016 Aug 23.
Artigo em Inglês | MEDLINE | ID: mdl-27563896

RESUMO

Increased co-channel interference (CCI) in wireless local area networks (WLANs) is bringing serious resource constraints to today's high-density wireless environments. CCI in IEEE 802.11-based networks is inevitable due to the nature of the carrier sensing mechanism however can be reduced by resource optimization approaches. That means the CCI analysis is basic, but also crucial for an efficient resource management. In this article, we present a novel CCI analysis approach based on the queuing theory, which considers the randomness of end users' behavior and the irregularity and complexity of network traffic in high-density WLANs that adopts the M/M/c queuing model for CCI analysis. Most of the CCIs occur when multiple networks overlap and trigger channel contentions; therefore, we use the ratio of signal-overlapped areas to signal coverage as a probabilistic factor to the queuing model to analyze the CCI impacts in highly overlapped WLANs. With the queuing model, we perform simulations to see how the CCI influences the quality of service (QoS) in high-density WLANs.

10.
Arch Public Health ; 82(1): 39, 2024 Mar 18.
Artigo em Inglês | MEDLINE | ID: mdl-38500220

RESUMO

BACKGROUND: Midlife obesity is a modifiable risk factor for Alzheimer's disease. However, the association between childhood obesity and Alzheimer's disease remains largely unknown. Therefore, we conducted a mendelian randomization analysis (MR) to assess the causal link between childhood obesity and Alzheimer's disease. METHODS: Using summary statistics from publicly available genome-wide association studies (GWAS) database, we explored the genetic link between childhood obesity and Alzheimer's disease through a two-sample MR. The primary analysis employed the inverse-variance weighted (IVW) method. To complement our findings, we also employed MR-Egger, weighted median, simple model, and weighted model methods for MR estimates. Furthermore, we conducted Cochrane's Q-statistic test, Egger intercept test, and a leave-one-out sensitivity test to ensure the robustness and reliability of our results. RESULTS: The IVW analysis yielded non-significant results, indicating no significant genetic association between childhood obesity and Alzheimer's disease (OR = 0.958, 95% CI = 0.910-1.008, p = 0.095). Consistent with this, the results from MR-Egger, the weighted median, simple model, and weighted model approaches all supported these findings. Furthermore, we did not detect any signs of heterogeneity or pleiotropy, and our leave-one-out analysis confirmed that no single nucleotide polymorphisms had a substantial impact on the reliability of our results. CONCLUSIONS: The evidence from our MR analyses suggests that there is no causal effect of childhood obesity on the risk of Alzheimer's disease.

11.
J Phys Chem Lett ; 15(23): 6222-6229, 2024 Jun 13.
Artigo em Inglês | MEDLINE | ID: mdl-38838341

RESUMO

Unimolecular decay of the formaldehyde oxide (CH2OO) Criegee intermediate proceeds via a 1,3 ring-closure pathway to dioxirane and subsequent rearrangement and/or dissociation to many products including hydroxyl (OH) radicals that are detected. Vibrational activation of jet-cooled CH2OO with two quanta of CH stretch (17-18 kcal mol-1) leads to unimolecular decay at an energy significantly below the transition state barrier of 19.46 ± 0.25 kcal mol-1, refined utilizing a high-level electronic structure method HEAT-345(Q)Λ. The observed unimolecular decay rate of 1.6 ± 0.4 × 106 s-1 is 2 orders of magnitude slower than that predicted by statistical unimolecular reaction theory using several different models for quantum mechanical tunneling. The nonstatistical behavior originates from excitation of a CH stretch vibration that is orthogonal to the heavy atom motions along the reaction coordinate and slow intramolecular vibrational energy redistribution due to the sparse density of states.

12.
Chem Sci ; 15(16): 6160-6167, 2024 Apr 24.
Artigo em Inglês | MEDLINE | ID: mdl-38665513

RESUMO

Organic hydroperoxides (ROOH) are ubiquitous in the atmospheric oxidation of volatile organic compounds (VOCs) as well as in low-temperature oxidation of hydrocarbon fuels. The present work focuses on a prototypical cyclic hydroperoxide, cyclohexyl hydroperoxide (CHHP). The overtone OH stretch (2νOH) spectrum of jet-cooled CHHP is recorded by IR multiphoton excitation with UV laser-induced fluorescence detection of the resulting OH products. A distinctive IR feature is observed at 7012.5 cm-1. Two conformers of CHHP are predicted to have similar stabilities (within 0.2 kcal mol-1) and overtone OH stretch transitions (2νOH), yet are separated by a significant interconversion barrier. The IR power dependence indicates that absorption of three or more IR photons is required for dissociation of CHHP to cyclohexoxy (RO) and OH radical products. Accompanying high-level single- and multi-reference electronic structure calculations quantitatively support the experimental results. Calculations are extended to a range of organic hydroperoxides to examine trends in bond dissociation energies associated with RO + OH formation and compared with prior theoretical results.

13.
Chem Sci ; 14(38): 10471-10477, 2023 Oct 04.
Artigo em Inglês | MEDLINE | ID: mdl-37800006

RESUMO

Biogenic alkenes, such as isoprene and α-pinene, are the predominant source of volatile organic compounds (VOCs) emitted into the atmosphere. Atmospheric processing of alkenes via reaction with ozone leads to formation of zwitterionic reactive intermediates with a carbonyl oxide functional group, known as Criegee intermediates (CIs). CIs are known to exhibit a strong absorption (π* ← π) in the near ultraviolet and visible (UV-vis) region due to the carbonyl oxide moiety. This study focuses on the laboratory identification of a five-carbon CI with an unsaturated substituent, 3-penten-2-one oxide, which can be produced upon atmospheric ozonolysis of substituted isoprenes. 3-Penten-2-one oxide is generated in the laboratory by photolysis of a newly synthesized precursor, (Z)-2,4-diiodopent-2-ene, in the presence of oxygen. The electronic spectrum of 3-penten-2-one oxide was recorded by UV-vis induced depletion of the VUV photoionization signal on the parent m/z 100 mass channel using a time-of-flight mass spectrometer. The resultant electronic spectrum is broad and unstructured with peak absorption at ca. 375 nm. To complement the experimental findings, electronic structure calculations are performed at the CASPT2(12,10)/aug-cc-pVDZ level of theory. The experimental spectrum shows good agreement with the calculated electronic spectrum and vertical excitation energy obtained for the lowest energy conformer of 3-penten-2-one oxide. In addition, OH radical products resulting from unimolecular decay of energized 3-penten-2-oxide CIs are detected by UV laser-induced fluorescence. Finally, the experimental electronic spectrum is compared with that of a four-carbon, isoprene-derived CI, methyl vinyl ketone oxide, to understand the effects of an additional methyl group on the associated electronic properties.

14.
Front Oncol ; 12: 771870, 2022.
Artigo em Inglês | MEDLINE | ID: mdl-35174081

RESUMO

Ferroptosis is an evolutionarily conserved form of regulated cell death triggered by iron-dependent phospholipid peroxidation. Ferroptosis contributes to the maintenance of tissue homeostasis under physiological conditions while its aberration is tightly connected with lots of pathophysiological processes such as acute tissue injury, chronic degenerative disease, and tumorigenesis. Epigenetic regulation controls chromatin structure and gene expression by writing/reading/erasing the covalent modifications on DNA, histone, and RNA, without altering the DNA sequence. Accumulating evidences suggest that epigenetic regulation is involved in the determination of cellular vulnerability to ferroptosis. Here, we summarize the recent advances on the epigenetic mechanisms that control the expression of ferroptosis-associated genes and thereby the ferroptosis process. Moreover, the potential value of epigenetic drugs in targeting or synergizing ferroptosis during cancer therapy is also discussed.

15.
Front Microbiol ; 13: 962766, 2022.
Artigo em Inglês | MEDLINE | ID: mdl-36569097

RESUMO

Coxsackievirus B3 (CVB3) is a leading cause of viral myocarditis, but no effective treatment strategy against CVB3 is available. Viruses lack an inherent metabolic system and thus depend on host cellular metabolism for their benefit. In this study, we observed that CVB3 enhanced glycolysis in H9c2 rat cardiomyocytes and HL-1 mouse cardiomyocytes. Therefore, three key glycolytic enzymes, namely, hexokinase 2 (HK2), muscle phosphofructokinase (PFKM), and pyruvate kinase M2 (PKM2), were measured in CVB3-infected H9c2 and HL-1 cells. Expression levels of HK2 and PFKM, but not PKM2, were increased in CVB3-infected H9c2 cells. All three key glycolytic enzymes showed elevated expression in CVB3-infected HL-1 cells. To further investigate this, we used 2 deoxyglucose, sodium citrate, and shikonin as glycolysis inhibitors for HK2, PFKM, and PKM2, respectively. Glycolysis inhibitors significantly reduced CVB3 replication, while the glycolysis enhancer dramatically promoted it. In addition, glycolysis inhibitors decreased autophagy and accelerated autophagosome degradation. The autophagy inducer eliminated partial inhibition effects of glycolysis inhibitors on CVB3 replication. These results demonstrate that CVB3 infection enhances glycolysis and thus benefits viral replication.

16.
Chem Sci ; 11(40): 10959-10972, 2020 Sep 14.
Artigo em Inglês | MEDLINE | ID: mdl-34094345

RESUMO

Computer aided synthesis planning of synthetic pathways with green process conditions has become of increasing importance in organic chemistry, but the large search space inherent in synthesis planning and the difficulty in predicting reaction conditions make it a significant challenge. We introduce a new Monte Carlo Tree Search (MCTS) variant that promotes balance between exploration and exploitation across the synthesis space. Together with a value network trained from reinforcement learning and a solvent-prediction neural network, our algorithm is comparable to the best MCTS variant (PUCT, similar to Google's Alpha Go) in finding valid synthesis pathways within a fixed searching time, and superior in identifying shorter routes with greener solvents under the same search conditions. In addition, with the same root compound visit count, our algorithm outperforms the PUCT MCTS by 16% in terms of determining successful routes. Overall the success rate is improved by 19.7% compared to the upper confidence bound applied to trees (UCT) MCTS method. Moreover, we improve 71.4% of the routes proposed by the PUCT MCTS variant in pathway length and choices of green solvents. The approach generally enables including Green Chemistry considerations in computer aided synthesis planning with potential applications in process development for fine chemicals or pharmaceuticals.

17.
J Pain Symptom Manage ; 60(5): 948-958.e3, 2020 11.
Artigo em Inglês | MEDLINE | ID: mdl-32585181

RESUMO

CONTEXT: Clinicians lack reliable methods to predict which patients with congestive heart failure (CHF) will benefit from cardiac resynchronization therapy (CRT). Symptom burden may help to predict response, but this information is buried in free-text clinical notes. Natural language processing (NLP) may identify symptoms recorded in the electronic health record and thereby enable this information to inform clinical decisions about the appropriateness of CRT. OBJECTIVES: To develop, train, and test a deep NLP model that identifies documented symptoms in patients with CHF receiving CRT. METHODS: We identified a random sample of clinical notes from a cohort of patients with CHF who later received CRT. Investigators labeled documented symptoms as present, absent, and context dependent (pathologic depending on the clinical situation). The algorithm was trained on 80% and fine-tuned parameters on 10% of the notes. We tested the model on the remaining 10%. We compared the model's performance to investigators' annotations using accuracy, precision (positive predictive value), recall (sensitivity), and F1 score (a combined measure of precision and recall). RESULTS: Investigators annotated 154 notes (352,157 words) and identified 1340 present, 1300 absent, and 221 context-dependent symptoms. In the test set of 15 notes (35,467 words), the model's accuracy was 99.4% and recall was 66.8%. Precision was 77.6%, and overall F1 score was 71.8. F1 scores for present (70.8) and absent (74.7) symptoms were higher than that for context-dependent symptoms (48.3). CONCLUSION: A deep NLP algorithm can be trained to capture symptoms in patients with CHF who received CRT with promising precision and recall.


Assuntos
Terapia de Ressincronização Cardíaca , Insuficiência Cardíaca , Documentação , Registros Eletrônicos de Saúde , Insuficiência Cardíaca/diagnóstico , Insuficiência Cardíaca/terapia , Humanos , Processamento de Linguagem Natural
18.
Oncol Lett ; 15(4): 4445-4450, 2018 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-29552107

RESUMO

The present study retrospectively analyzed the prognostic factors of 135 patients with locally advanced nasopharyngeal carcinoma (NPC) who received intensity modulated radiation therapy between August 2008 and January 2012 at Xiangya Hospital of Central South University. Patients were staged from III-IVA according to the 7th American Joint Committee on Cancer staging system. Using Statistical Analysis System 9.3 software, the present study demonstrated that, among these 135 patients, the 5-year overall survival, the 5-year local relapse-free survival, and the 5-year disease metastasis-free survival were 84, 82, and 78%, respectively. Multivariate Cox regression analysis identified that targeted treatment [hazard ratio (95% confidence interval), 2.642 (1.001, 6.972); P=0.0497] served as an independent negative prognostic factor in locally advanced NPC. The results of immunostaining revealed that the staining intensity of the radiation-resistant group was increased compared with that of the radiation-sensitive group. These results demonstrate that a high expression of EGFR may be associated with radiation resistance, and targeted treatment may not be effective in patients with locally advanced nasopharyngeal carcinoma with low expression of EGFR.

19.
J Histochem Cytochem ; 63(2): 88-98, 2015 02.
Artigo em Inglês | MEDLINE | ID: mdl-25380749

RESUMO

Radiotherapy is the first-line treatment for all stages of cervical cancer, whether it is used for radical or palliative therapy. However, radioresistance of cervical cancer remains a major therapeutic problem. Consequently, we explored if E-cadherin (a marker of epithelial-mesenchymal transition) and osteopontin could predict radioresistance in patients with locally advanced cervical squamous cell carcinoma (LACSCC). Patients were retrospectively reviewed and 111 patients divided into two groups (radiation-resistant and radiation-sensitive groups) according to progression-free survival (PFS). In pretreated paraffin-embedded tissues, we evaluated E-cadherin and osteopontin expression using immunohistochemical staining. The percentage of patients with high osteopontin but low E-cadherin expression in the radiation-resistant group was significantly higher than those in the radiation-sensitive group (p<0.001). These patients also had a lower 5-year PFS rate (p<0.001). Our research suggests that high osteopontin but low E-cadherin expression can be considered as a negative, independent prognostic factor in patients with LACSCC ([Hazard ratios (95% CI) 6.766 (2.940, 15.572)], p<0.001).


Assuntos
Caderinas/metabolismo , Carcinoma de Células Escamosas/metabolismo , Regulação Neoplásica da Expressão Gênica , Osteopontina/metabolismo , Tolerância a Radiação , Neoplasias do Colo do Útero/metabolismo , Adulto , Idoso , Idoso de 80 Anos ou mais , Biomarcadores Tumorais/metabolismo , Carcinoma de Células Escamosas/diagnóstico , Carcinoma de Células Escamosas/patologia , Carcinoma de Células Escamosas/radioterapia , Intervalo Livre de Doença , Feminino , Regulação Neoplásica da Expressão Gênica/efeitos da radiação , Humanos , Pessoa de Meia-Idade , Estudos Retrospectivos , Neoplasias do Colo do Útero/diagnóstico , Neoplasias do Colo do Útero/patologia , Neoplasias do Colo do Útero/radioterapia
20.
Histol Histopathol ; 30(11): 1313-20, 2015 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-25936600

RESUMO

Our study aimed to investigate the association of Pyruvate Kinase isozyme type M2 (PKM2) with radiation resistance in locally advanced cervical squamous cell carcinoma (LACSCC). We retrospectively reviewed 132 female patients who received primary radiation therapy to treat LACSCC at Federation Internationale of Gynecologie and Obstetrigue (FIGO) stages IB-IVA. Forty-seven patients with progression free survival (PFS) of less than 36 months were regarded to have radiation resistance. Eighty-five patients with PFS no less than 36 months were regarded as radiation sensitive. Using immunohistochemistry, we found that the overexpression rate of PKM2 in radiation resistant and radiation sensitive patients was 87.2% and 57.6%, respectively, and the difference was statistically significant (p<0.001). The 5-year progress free survival rates in patients with low and high expression of PKM2 was 80.4% and 60.5%, respectively, and the difference was statistically significant (p=0.008). Multivariate Cox regression analysis identified that high expression of PKM2 is an independent negative prognostic factor in cervical cancer patients [Hazard ratio (95% CI), 2.888 (1.347, 6.194) p=0.006]. These results demonstrate that overexpression of PKM2 contributes to radiation resistance and acts a poor prognosis indicator in patients with LACSCC.


Assuntos
Biomarcadores Tumorais/análise , Carcinoma de Células Escamosas/enzimologia , Carcinoma de Células Escamosas/radioterapia , Proteínas de Transporte/análise , Proteínas de Membrana/análise , Tolerância a Radiação , Hormônios Tireóideos/análise , Neoplasias do Colo do Útero/enzimologia , Neoplasias do Colo do Útero/radioterapia , Adulto , Idoso , Idoso de 80 Anos ou mais , Carcinoma de Células Escamosas/patologia , Distribuição de Qui-Quadrado , Intervalo Livre de Doença , Feminino , Humanos , Imuno-Histoquímica , Estimativa de Kaplan-Meier , Pessoa de Meia-Idade , Análise Multivariada , Estadiamento de Neoplasias , Valor Preditivo dos Testes , Modelos de Riscos Proporcionais , Estudos Retrospectivos , Fatores de Risco , Fatores de Tempo , Resultado do Tratamento , Regulação para Cima , Neoplasias do Colo do Útero/patologia , Adulto Jovem , Proteínas de Ligação a Hormônio da Tireoide
SELEÇÃO DE REFERÊNCIAS
DETALHE DA PESQUISA