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1.
Chem Asian J ; 18(7): e202300041, 2023 Apr 03.
Artigo em Inglês | MEDLINE | ID: mdl-36786532

RESUMO

Structural transformation is important for the study of silver cluster compounds, in which controlled synthesis of their shapes and sizes via anion template-driven is one key scientific question. In this work, the CO3 2- anion templates were captured by the [t BuC≡CAg]n system under the stimulation induced by carboxylate ligand CF3 COO- /PhCOO- , and two silver alkynyl clusters [(CO3 2- )@Ag21 (t BuC≡C)16 (CF3 COO)3 (H2 O)]⋅DMF⋅2CH2 Cl2 (1) and [(CO3 2- )2 @Ag24 (t BuC≡C)16 (PhCOO)4 ]⋅CH3 OH⋅4DMF (2) have been successfully isolated and charactered. With the increase of the number of CO3 2- templates from single to double, the outer silver atoms from twenty-one to twenty-four, accompanied by the growth of the cluster skeleton from 9.8 Š×6.9 Šof the (CO3 2- )@Ag21 unit to 10.5 Š×7.3 Šof the (CO3 2- )2 @Ag24 unit. In addition, the syntheses, structures, photocurrent responses, cyclic voltammetry characteristics, luminescence, and photodegradation of compounds 1 and 2 have been studied.

2.
Comput Biol Med ; 152: 106346, 2023 01.
Artigo em Inglês | MEDLINE | ID: mdl-36470146

RESUMO

BACKGROUND: Uterine carcinosarcoma (UCS) is an invasive variant of endometrial cancer. The complicated heterogeneity and low frequency of UCS suggest the relevant research is lack. There is an urgent need to further explore the pathogenic mechanism and identify new biomarkers of UCS from different angels to improve its diagnosis and prognosis. OBJECTIVE: This study is to explore the importance of alternative splicing (AS) events in UCS, construct AS-based prognosis model and excavate key splicing factors (SFs). METHOD: UCS related gene transcriptome data and AS events data were collected from The Cancer Genome Atlas (TCGA) and TCGA SpliceSeq database. The AS events related to survival were determined by Cox regression analysis, Least absolute shrinkage and selection operator (Lasso) regression analysis and optimal subset analysis. The corresponding risk score was calculated and its efficiency on prognosis was evaluated by Kaplan-Meier (K-M) survival estimate and validated by the receiver operating characteristic (ROC) curve. The prognosis model was constructed with risk score and clinic characters as independent variables to predict patients' survival. On the other hand, Kendall test was applied to inspect the correlation between the SFs and the prognosis-related AS events and a AS-SF network was constructed. Finally, the key SFs were screened through network nodes analysis and survival analysis. RESULT: Seven AS events the most related to survival were detected and the risk score was obtained. K-M survival estimate and ROC curve validation suggested the risk score was effective. Then Cox model was constructed based on the risk score and a nomogram model was obtained which provided the highest prediction accuracy of 95%. Through the AS-SF network analysis, 16 SFs were screened, among which four survival-related SFs were eventually obtained. CONCLUSION: The prognosis model could predict the survival rate of UCS patients by their clinical characters and AS-based risk score. And four newly discovered SFs could reveal the molecular mechanism of UCS and act as the potential drug targets and prognosis biomarkers.


Assuntos
Processamento Alternativo , Carcinossarcoma , Humanos , Processamento Alternativo/genética , Análise de Sobrevida , Transcriptoma/genética , Modelos de Riscos Proporcionais , Carcinossarcoma/genética , Regulação Neoplásica da Expressão Gênica
3.
Comput Biol Chem ; 91: 107433, 2021 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-33540232

RESUMO

Hepatocellular carcinoma (HCC) is considered as the sixth most common cancer in the world, and it is also considered as one of the causes of death. Moreover, the poor prognosis of recurrence of HCC after surgery and metastasis is also a big problem for human health. If the disease can be diagnosed earlier, the survival rate of the patients will be improved significantly. In the early stage of hepatocellular carcinoma, the expression of miRNAs is likely to become abnormal. In our work, the expression profile of miRNAs of human HCC in cancer tissue is compared with their adjacent tissue samples collected from tumor cancer genomic Atlas (TCGA) platform, then the genes with significant difference are selected by Limma test. Selected genes are referred to predict miRNAs related to the prognosis of HCC patients. Finally, miRNAs regulated by target genes are selected by our method, and the experimental results demonstrated that our method is more efficient than biology wet experimental method with lower cost.


Assuntos
Carcinoma Hepatocelular/genética , Neoplasias Hepáticas/genética , MicroRNAs/genética , Biomarcadores Tumorais/genética , Carcinoma Hepatocelular/patologia , Biologia Computacional , Perfilação da Expressão Gênica , Regulação Neoplásica da Expressão Gênica , Humanos , Neoplasias Hepáticas/patologia , Prognóstico , Taxa de Sobrevida
4.
Protein Pept Lett ; 27(4): 329-336, 2020.
Artigo em Inglês | MEDLINE | ID: mdl-31577192

RESUMO

BACKGROUND: Cell lytic enzyme is a kind of highly evolved protein, which can destroy the cell structure and kill the bacteria. Compared with antibiotics, cell lytic enzyme will not cause serious problem of drug resistance of pathogenic bacteria. Thus, the study of cell wall lytic enzymes aims at finding an efficient way for curing bacteria infectious. Compared with using antibiotics, the problem of drug resistance becomes more serious. Therefore, it is a good choice for curing bacterial infections by using cell lytic enzymes. Cell lytic enzyme includes endolysin and autolysin and the difference between them is the purpose of the break of cell wall. The identification of the type of cell lytic enzymes is meaningful for the study of cell wall enzymes. OBJECTIVE: In this article, our motivation is to predict the type of cell lytic enzyme. Cell lytic enzyme is helpful for killing bacteria, so it is meaningful for study the type of cell lytic enzyme. However, it is time consuming to detect the type of cell lytic enzyme by experimental methods. Thus, an efficient computational method for the type of cell lytic enzyme prediction is proposed in our work. METHODS: We propose a computational method for the prediction of endolysin and autolysin. First, a data set containing 27 endolysins and 41 autolysins is built. Then the protein is represented by tripeptides composition. The features are selected with larger confidence degree. At last, the classifier is trained by the labeled vectors based on support vector machine. The learned classifier is used to predict the type of cell lytic enzyme. RESULTS: Following the proposed method, the experimental results show that the overall accuracy can attain 97.06%, when 44 features are selected. Compared with Ding's method, our method improves the overall accuracy by nearly 4.5% ((97.06-92.9)/92.9%). The performance of our proposed method is stable, when the selected feature number is from 40 to 70. The overall accuracy of tripeptides optimal feature set is 94.12%, and the overall accuracy of Chou's amphiphilic PseAAC method is 76.2%. The experimental results also demonstrate that the overall accuracy is improved by nearly 18% when using the tripeptides optimal feature set. CONCLUSION: The paper proposed an efficient method for identifying endolysin and autolysin. In this paper, support vector machine is used to predict the type of cell lytic enzyme. The experimental results show that the overall accuracy of the proposed method is 94.12%, which is better than some existing methods. In conclusion, the selected 44 features can improve the overall accuracy for identification of the type of cell lytic enzyme. Support vector machine performs better than other classifiers when using the selected feature set on the benchmark data set.


Assuntos
Biologia Computacional , Endopeptidases/isolamento & purificação , N-Acetil-Muramil-L-Alanina Amidase/isolamento & purificação , Proteínas/isolamento & purificação , Algoritmos , Sequência de Aminoácidos/genética , Aminoácidos/genética , Antibacterianos/química , Bactérias/efeitos dos fármacos , Bactérias/patogenicidade , Endopeptidases/química , Endopeptidases/genética , Humanos , N-Acetil-Muramil-L-Alanina Amidase/química , N-Acetil-Muramil-L-Alanina Amidase/genética , Proteínas/química , Proteínas/genética , Máquina de Vetores de Suporte
5.
Front Genet ; 10: 33, 2019.
Artigo em Inglês | MEDLINE | ID: mdl-30809242

RESUMO

In this paper, a computational method based on machine learning technique for identifying Alzheimer's disease genes is proposed. Compared with most existing machine learning based methods, existing methods predict Alzheimer's disease genes by using structural magnetic resonance imaging (MRI) technique. Most methods have attained acceptable results, but the cost is expensive and time consuming. Thus, we proposed a computational method for identifying Alzheimer disease genes by use of the sequence information of proteins, and classify the feature vectors by random forest. In the proposed method, the gene protein information is extracted by adaptive k-skip-n-gram features. The proposed method can attain the accuracy to 85.5% on the selected UniProt dataset, which has been demonstrated by the experimental results.

6.
Molecules ; 23(12)2018 Nov 29.
Artigo em Inglês | MEDLINE | ID: mdl-30501121

RESUMO

Alzheimer's disease (AD) is considered to one of 10 key diseases leading to death in humans. AD is considered the main cause of brain degeneration, and will lead to dementia. It is beneficial for affected patients to be diagnosed with the disease at an early stage so that efforts to manage the patient can begin as soon as possible. Most existing protocols diagnose AD by way of magnetic resonance imaging (MRI). However, because the size of the images produced is large, existing techniques that employ MRI technology are expensive and time-consuming to perform. With this in mind, in the current study, AD is predicted instead by the use of a support vector machine (SVM) method based on gene-coding protein sequence information. In our proposed method, the frequency of two consecutive amino acids is used to describe the sequence information. The accuracy of the proposed method for identifying AD is 85.7%, which is demonstrated by the obtained experimental results. The experimental results also show that the sequence information of gene-coding proteins can be used to predict AD.


Assuntos
Algoritmos , Doença de Alzheimer/genética , Área Sob a Curva , Humanos , Máquina de Vetores de Suporte
7.
Int J Mol Sci ; 19(6)2018 Jun 15.
Artigo em Inglês | MEDLINE | ID: mdl-29914044

RESUMO

Antioxidant proteins can be beneficial in disease prevention. More attention has been paid to the functionality of antioxidant proteins. Therefore, identifying antioxidant proteins is important for the study. In our work, we propose a computational method, called SeqSVM, for predicting antioxidant proteins based on their primary sequence features. The features are removed to reduce the redundancy by max relevance max distance method. Finally, the antioxidant proteins are identified by support vector machine (SVM). The experimental results demonstrated that our method performs better than existing methods, with the overall accuracy of 89.46%. Although a proposed computational method can attain an encouraging classification result, the experimental results are verified based on the biochemical approaches, such as wet biochemistry and molecular biology techniques.


Assuntos
Estresse Oxidativo , Análise de Sequência de Proteína/métodos , Máquina de Vetores de Suporte , Animais , Humanos , Domínios Proteicos , Software
8.
Genes (Basel) ; 9(3)2018 Mar 13.
Artigo em Inglês | MEDLINE | ID: mdl-29534013

RESUMO

Cancer is a serious health issue worldwide. Traditional treatment methods focus on killing cancer cells by using anticancer drugs or radiation therapy, but the cost of these methods is quite high, and in addition there are side effects. With the discovery of anticancer peptides, great progress has been made in cancer treatment. For the purpose of prompting the application of anticancer peptides in cancer treatment, it is necessary to use computational methods to identify anticancer peptides (ACPs). In this paper, we propose a sequence-based model for identifying ACPs (SAP). In our proposed SAP, the peptide is represented by 400D features or 400D features with g-gap dipeptide features, and then the unrelated features are pruned using the maximum relevance-maximum distance method. The experimental results demonstrate that our model performs better than some existing methods. Furthermore, our model has also been extended to other classifiers, and the performance is stable compared with some state-of-the-art works.

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