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Talanta ; 233: 122536, 2021 Oct 01.
Artigo em Inglês | MEDLINE | ID: mdl-34215039


Preparation of porphyrin-based covalent organic frameworks (Por-COFs) with high photosensitizing activity for photodynamic inactivation of bacteria is of great challenge, but significant for economy and human health. Herein, we show a conjugation-regulating strategy to design and synthesize Por-COFs with high photosensitizing activity for the photodynamic inactivation of bacteria. Terephthalaldehyde (Da), 2,5-Dihydroxyterephthalaldehyde (Dha), and 2,5-Diethoxyterephthalaldehyde (Deta) with different conjugation degrees are selected to condense with 5,10,15,20-Tetrakis(4-aminophenyl)porphyrin (Tph) to synthesize COF-366, DhaTph, and JNU-2, respectively. The higher conjugation of Dha and Deta than Da leads to the higher conjugation of DhaTph and JNU-2, respectively. Moreover, the hydroxyl group in Dha and the ethoxy group in Deta further expand the conjugation of DhaTph and JNU-2 via the formation of intralayer extended π-cloud delocalization and p-π conjunction, respectively. The extension of conjugation for DhaTph and JNU-2 results in the increase of intersystem crossing process and significantly improves their photosensitizing activity. Furthermore, JNU-2 with the highest photosensitizing activity exhibits superior antibacterial effects toward Staphylococcus aureus (99.1%) and Escherichia coli (96.8%). This study offers a new conjugation-regulating strategy for designing high photosensitizing activity of Por-COFs for the inactivation of bacteria.

Estruturas Metalorgânicas , Porfirinas , Antibacterianos/farmacologia , Humanos , Fármacos Fotossensibilizantes/farmacologia , Porfirinas/farmacologia , Staphylococcus aureus
BMC Cancer ; 20(1): 740, 2020 Aug 08.
Artigo em Inglês | MEDLINE | ID: mdl-32770988


BACKGROUND: Precision oncology pharmacotherapy relies on precise patient-specific alterations that impact drug responses. Due to rapid advances in clinical tumor sequencing, an urgent need exists for a clinical support tool that automatically interprets sequencing results based on a structured knowledge base of alteration events associated with clinical implications. RESULTS: Here, we introduced the Oncology Pharmacotherapy Decision Support System (OncoPDSS), a web server that systematically annotates the effects of alterations on drug responses. The platform integrates actionable evidence from several well-known resources, distills drug indications from anti-cancer drug labels, and extracts cancer clinical trial data from the database. A therapy-centric classification strategy was used to identify potentially effective and non-effective pharmacotherapies from user-uploaded alterations of multi-omics based on integrative evidence. For each potentially effective therapy, clinical trials with faculty information were listed to help patients and their health care providers find the most suitable one. CONCLUSIONS: OncoPDSS can serve as both an integrative knowledge base on cancer precision medicine, as well as a clinical decision support system for cancer researchers and clinical oncologists. It receives multi-omics alterations as input and interprets them into pharmacotherapy-centered information, thus helping clinicians to make clinical pharmacotherapy decisions. The OncoPDSS web server is freely accessible at .

Bases de Dados Factuais , Sistemas de Apoio a Decisões Clínicas , Neoplasias/tratamento farmacológico , Neoplasias/genética , Medicina de Precisão , Navegador , Antineoplásicos/uso terapêutico , Ensaios Clínicos como Assunto , Humanos , Anotação de Sequência Molecular , Interface Usuário-Computador
Angew Chem Int Ed Engl ; 59(40): 17607-17613, 2020 Sep 28.
Artigo em Inglês | MEDLINE | ID: mdl-32497359


Design of stable adsorbents for selective gold recovery with large capacity and fast adsorption kinetics is of great challenge, but significant for the economy and the environment. Herein, we show the design and preparation of an irreversible amide-linked covalent organic framework (COF) JNU-1 via a building block exchange strategy for efficient recovery of gold. JNU-1 was synthesized through the exchange of 4,4'-biphenyldicarboxaldehyde (BA) in mother COF TzBA consisting of 4,4',4''-(1,3,5-triazine-2,4,6-triyl)trianiline (Tz) and BA with terephthaloyl chloride. The irreversible amide linked JNU-1 gave good stability, unprecedented fast kinetics, excellent selectivity and outstanding adsorption capacity for gold recovery. X-ray photoelectron spectroscopy along with thermodynamic study and quantum mechanics calculation reveals that the excellent performance of JNU-1 for gold recovery results from the formation of hydrogen bonds C(N)-H⋅⋅⋅Cl and coordinate interaction of O and Au. The rational design of irreversible bonds as both inherent linkage and functional groups in COFs is a promising way to prepare stable COFs for diverse applications.

Huan Jing Ke Xue ; 34(1): 163-8, 2013 Jan.
Artigo em Chinês | MEDLINE | ID: mdl-23487933


In the last few decades, anti-negative pressure facility (ANPF) has been emerged as a revolutionary approach for sloving the pollution in the Second Water Supply System (SWSS) in China. This study analyzed implications of the safety in SWSS with ANPF, utilizing the water distribution network hydraulic model. A method of hydraulic simulation and security assessment was presented which was able to reflect the number and location of nodes that can be installed in ANPF. Benchmark results through two instance networks showed that 67% and 89% of nodes in each network did not fit the ANPFs for installation. The simple and pratical algorithm was recommended in the water distribution network design and planing in order to increase the security of SWSS.

Hidrodinâmica , Poluição da Água/prevenção & controle , Abastecimento de Água/análise , Simulação por Computador , Modelos Teóricos , Pressão , Medição de Risco/métodos , Segurança , Poluição da Água/análise , Abastecimento de Água/normas
Huan Jing Ke Xue ; 31(1): 88-92, 2010 Jan.
Artigo em Chinês | MEDLINE | ID: mdl-20329521


The method of locating online sensor on a water distribution system for monitoring water quality was investigated. A flaw of demand coverage method was identified. To overcome this flaw, a demand coverage index based method was proposed in this paper. The demand coverage index method evaluates a node's representativeness by taking both the total amount of demand coverage and its temporal distribution into account. This increases the calculation accuracy and data representativeness. In order to increase the speed of optimization, a genetic algorithm was employed to solve the optimization problem in this work. Two example water distribution systems were employed to evaluate the performances of both methods. It was obtained that more than 85% of node demand can be covered by 7 monitoring stations for the example water distribution system with 95 nodes. Example applications show that results from this method have better representativeness than the one from demand coverage method. An online monitoring network based on optimal locations obtained from demand coverage method can better represent water quality of the distribution systems.

Monitoramento Ambiental/métodos , Poluentes da Água/análise , Abastecimento de Água , Algoritmos , Técnicas de Apoio para a Decisão , Controle de Qualidade
Zhonghua Nan Ke Xue ; 12(7): 666-8, 2006 Jul.
Artigo em Chinês | MEDLINE | ID: mdl-16894950


Reliable efficacy is very important to continuing treatment for patients with erectile dysfunction. Vardenafil is a potent, highly selective phosphodiesterase 5 (PDE5) inhibitor. The efficacy and safety of vardenafil has been confirmed in many clinical studies. This paper analyzed the efficacy reliability of vardenafil in clinical trials and real-life practice, concluded that it provided reliable efficacy for key parameters of erection and improved treatment compliance.

Disfunção Erétil/tratamento farmacológico , Imidazóis/uso terapêutico , Inibidores de Fosfodiesterase/uso terapêutico , Piperazinas/uso terapêutico , Adulto , Idoso , Ensaios Clínicos Fase III como Assunto , Método Duplo-Cego , Humanos , Imidazóis/efeitos adversos , Masculino , Pessoa de Meia-Idade , Inibidores de Fosfodiesterase/efeitos adversos , Piperazinas/efeitos adversos , Ensaios Clínicos Controlados Aleatórios como Assunto , Estudos Retrospectivos , Sulfonas/efeitos adversos , Sulfonas/uso terapêutico , Triazinas/efeitos adversos , Triazinas/uso terapêutico , Dicloridrato de Vardenafila