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Science China Chemistry 2014年第10期57卷 1330-1339页

作者： FU Yao-Tsung YI YuanPing COROPCEANU Veaceslav RISKO Chad AZIZ Saadullah G. brdas jean-luc School of Chemistry & Biochemistry and Center for Organic Photonics and Electronics Georgia Institute of Technology Key Laboratory of Organic Solids Beijing National Laboratory for Molecular Sciences (BNLMS) Institute of Chemistry Chinese Academy of Sciences Department of Chemistry King Abdulaziz University

We review some of the computational methodologies used in our research group to develop a better understanding of the geometric and electronic structures of organic-organic interfaces present in the active layer of organic solar cells. We focus in particular on the exciton-dissociation and charge-transfer processes at the pentacene-fullerene interface. We also discuss the local morphology at this interface on the basis of molecular dynamics simulations.

关键词： organic photovoltaics organic-organic interface multi-scale simulations

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Developing molecular-level models for organic field-effect transistors

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National Science Review 2021年第4期8卷 167-180页

作者： Haoyuan Li jean-luc brédas School of Chemistry and Biochemistry and Center for Organic Photonics and Electronics Georgia Institute of Technology Department of Chemistry and Biochemistry University of Arizona

Organic field-effect transistors(OFETs) are not only functional devices but also represent an important tool for measuring the charge-transport properties of organic semiconductors(OSs). Thus, efforts to understand the performance and characteristics of OFET devices are not only useful in helping achieve higher device efficiencies but also critical to ensuring accuracy in the evaluations of OS charge *** studies rely on OFET device models, which connect the measured current characteristics to the properties of the OSs. Developing such OFET models requires good knowledge of the charge-transport processes in OSs. In device active layers, the OS thin films are either amorphous(e.g. in organic light-emitting diodes and organic solar cells) or crystalline(e.g. those optimized for charge transport in OFETs). When the electronic couplings between adjacent OS molecules or polymer chain segments are weak, the charge-transport mechanism is dominated by hopping processes, which is the context in which we frame the discussion in this Review. Factors such as disorder, mobility anisotropy, traps, grain boundaries or film morphology all impact charge transport. To take these features fully into account in an OFET device model requires considering a nano-scale, molecular-level resolution. Here, we discuss the recent development of such molecular-resolution OFET models based on a kinetic Monte Carlo approach relevant to the hopping regime. We also briefly describe the applicability of these models to high-mobility OFETs,where we underline the need to extend them to incorporate aspects related to charge delocalization.

关键词： organic semiconductors charge transport kinetic Monte Carlo simulations mobility measurements gradual channel approximation

Characterization of intrinsic hole transport in single-crystal spiro-OMeTAD

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npj Flexible Electronics 2017年第1期1卷 8-15页

作者： Yuan Li Haoyuan Li Cheng Zhong Gjergji Sini jean-luc brédas KAUST Solar Center Physical Science and Engineering DivisionKing Abdullah University of Science and Technology(KAUST)Thuwal 23955-6900Saudi Arabia Laboratoire de Physico-chimie des Polymères et des Interfaces Universitéde Cergy-Pontoise5 Mail Gay LussacNeuville sur OiseCergy-Pontoise Cedex 95031France

Spiro-OMeTAD remains a prominent hole-transport material in perovskite and solid-state dye-sensitized solar ***,an understanding of its intrinsic hole-transport properties is still ***,hole transport in spiro-OMeTAD is systematically characterized on the basis of the recently reported X-ray single-crystal *** approach combining density functional theory calculations,tight-binding modeling,and kinetic Monte Carlo simulations are exploited to describe the key parameters governing hole transport and to investigate the transport mechanism and hole mobilities in the spiro-OMeTAD single *** results provide insight into:(i)why an anisotropic hole-transport mechanism,with an upper range of intrinsic hole mobilities on the order of~10^(−3)cm^(2)/Vs,can be expected in the single crystal;and(ii)how detrimental factors,related to the presence of the spiro motif and of the 4,4′-dimethoxydiphenylamine substituents,limit the intrinsic hole mobilities of the system.

关键词： intrinsic crystal spiro

Effect of conspecific and heterospecific urine odors on the foraging behavior of the golden spiny mouse

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Integrative Zoology 2013年第1期8卷 1-8页

作者： Claude BAUDOIN Abraham HAIM jean-luc DURAND Experimental and Comparative Ethology University of Paris 13VilletaneuseFrance Israeli Center for Interdisciplinary Research in Chronobiology University of HaifaHaifaIsrael

The common spiny mouse(Acomys cahirinus)inhibits the foraging activity of the golden spiny mouse(***).These two sympatric species of spiny mice,which are considered habitat competitors,occur in extreme arid *** test this theory of competition,the influence of urinary odors of both conspecific and heterospecific mice on the foraging behavior of *** was studied under controlled laboratory *** adult males,born in captivity and unfamiliar to the odors of the donor mice,were tested in 3 experimental conditions choosing between 2 seed patches that were scented with urine of either heterospecifics(***),conspecifics(***)or controls(odors of the tested individual).Of the 20 males,12 were also tested with urine of unfamiliar gerbils,bushy-tailed jird,considered as competitors in the *** conspecific and heterospecific urine samples from Acomys significantly reduced foraging behavior of *** when compared to the control *** inhibitory effect of the Acomys urine does not result from the novelty of chemical stimuli of the urine because no effect was shown with unfamiliar gerbil *** findings are in accordance with the general theory that *** dominates the foraging activity of *** hypothesize that chemical cues in the urine of Acomys *** induce a negative effect on the foraging behavior of ***.

关键词： Acomys spp. foraging behavior golden spiny mouse Sekeetamys calurus urine odors

Recent trends in the treatment of well-differentiated endocrine carcinoma of the small bowel

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World Journal of Gastroenterology 2010年第14期16卷 1696-1706页

作者： Gilles Poncet jean-luc Faucheron Thomas Walter Department of Digestive Surgery Edouard Herriot Hospital 69437 Lyon cedex 03 France Department of Colorectal Surgery Michallon Hospital 38043 Grenoble cedex France Department of Medical Oncology Pavillon H Edouard Herriot Hospital 69437 Lyon Cedex 03 France

Well-differentiated endocrine carcinomas of the small bowel are fairly rare neoplasms that present many clinical challenges. They secrete peptides and neuroamines that may cause carcinoid syndrome. However, many are clinically silent until late presentation with major effects. Initial treatment aims to control carcinoid syndrome with somatostatin analogs. Even if there is metastatic spread, surgical resection of the primitive tumor should be discussed in cases of retractile mesenteritis, small bowel ischemia or subocclusive syndrome in order to avoid any acute complication, in particular at the beginning of somatostatin analog treatment. The choice of treatment depends on the symptoms, general health of the patient, tumor burden, degree of uptake of radionuclide, histological features of the tumor, and tumor growth. Management strategies include surgery for cure (which is rarely achieved) or for cytoreduction, radiological interventions (transarterial embolization or radiofrequency ablation), and chemotherapy (interferon and somatostatin analogs). New biological agent and radionuclide targeted therapies are under investigation. Diffuse and non-evolving lesions should also be simplymonitored. Finally, it has to be emphasized that it is of the utmost importance to enroll these patients with a rare disease in prospective clinical trials assessing new therapeutic strategies.

关键词： Gastrointestinal neoplasms Neuroendocrine carcinoma Carcinoid tumor Somatostatin analogs Therapeutic chemoembolization Surgery

Loco-regional treatments of unresectable hepatocellular carcinoma:safety first

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Hepatobiliary Surgery and Nutrition 2022年第2期11卷 324-326页

作者： jean-luc Raoul Institut de Cancérologie de l’Ouest NantesFrance

Hepatocellular carcinoma(HCC)is a severe liver cancer that complicates underlying severe liver *** a long time,palliative treatment of unresectable HCC was loco-regional and based on tumor arterial hypervascularization and intra-tumor retention of Lipiodol when injected *** 1995,it was demonstrated that transarterial chemoembolization(TACE)reduced tumor growth and size,but did not significantly improve survival,because any benefit was offset by worsened liver function(1).Despite the failure to demonstrate improved survival,TACE remained the most commonly used palliative treatment worldwide for many *** 2002,two RCTs demonstrated the efficacy of TACE,but only in highly selected patients(2).The good indications for TACE were limited to certain intermediate stage HCC,PS 0(or possibly 1),with preserved liver function(Child-Pugh A without ascites),without vascular invasion,and had to be carried out in a selective manner to minimize the ischemic insult to non-tumoral tissue(3,4).In scores evaluating survival after a first TACE,the parameters linked to liver toxicity were more important than tumor response!In a recent comparison of TACE with lenvatinib,TACE but not lenvatinib was responsible for a severe decrease in the liver function(evaluating by the ALBI score)from baseline,and this acute deterioration persisted in the chronic period(5).The price to pay for the efficacy of TACE is thus liver function.

关键词： treatment spite invasion

A new path to highly conducting n-dopedπ-conjugated polymers

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Science China Chemistry 2023年第1期66卷 4-6页

作者： jean-luc bredas John R.Reynolds Department of Chemistry and Biochemistry The University of ArizonaTucsonArizona 85721-0088United States School of Chemistry and Biochemistry School of Materials Science and EngineeringGeorgia Tech Polymer NetworkCenter for Organic Photonics and ElectronicsGeorgia Institute of TechnologyAtlantaGeorgia 30332-0400United States

In an article recently published in Nature[1],Fei Huang,Yong Cao,and their co-workers report on aπ-conjugated polymer,poly(benzodifurandione),PBFDO,prepared by an oxidative polymerization and whose continuous backbon... 详细信息

关键词： conjugated conducting backbone

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Diagnosis of prostate cancer

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Asian Journal of Urology 2019年第2期6卷 129-136页

作者： jean-luc Descotes University Hospital of Grenoble CHU de GrenobleCS 1021738043 Grenoble cedex 9France

Diagnosis of prostate cancer(PCa)and adequate staging play a fundamental role for clinical and patient *** major advances in biology and imaging,rectal examination and prostate-specific antigen(PSA)blood test remain the cornerstone for screening,and multiparametricmagnetic resonance imaging(mpMRI)for local *** advances in mpMRI lead to standardised interpretation and increased prescription by clinicians in order to improve detection of clinically significant PCa and select patients requiring targeted *** its indication remains controversial in biopsy-naǐve *** medicine is also in a continuous evolution and utilisation of new radiopharmaceutical agent like choline or 68gallium with computed tomography or magnetic resonance imaging has led to the improvement in the detection of lymph nodes,distant metastases and prostate *** this very heterogneneous disease,combined utilisation of these tools will help clinicians and patients in choosing the most appropriate and personalised treatment.

关键词： Prostate cancer Staging Prostate-specific antigen Multiparametric magnetic resonance imaging Markers

Second-Order Invariant Domain Preserving ALE Approximation of Euler Equations

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Communications on Applied Mathematics and Computation 2023年第2期5卷 923-945页

作者： jean-luc Guermond Bojan Popov Laura Saavedra Department of Mathematics Texas A&M UniversityCollege StationUSA Departamento de Matemática Aplicada a la Ingeniería Aeroespacial Universidad Politécnica de MadridMadridSpain

An invariant domain preserving arbitrary Lagrangian-Eulerian method for solving non-linear hyperbolic systems is *** numerical scheme is explicit in time and the approximation in space is done with continuous finite *** method is made invar-iant domain preserving for the Euler equations using convex limiting and is tested on vari-ous benchmarks.

关键词： Conservation equations Hyperbolic systems Arbitrary Lagrangian-Eulerian Moving meshes Invariant domains High-order method Convex limiting Finite element method

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基于金属有机框架的光催化抗菌材料研究进展

现代化工 2025年第1期45卷 51-55页

作者：陈翔宇韦文龙刘子儒 Pier-luc Tremblay 张甜武汉理工大学化学化工与生命科学学院湖北武汉430070 武汉理工大学三亚科教创新园海南三亚572024 武汉理工大学材料科学与工程学院湖北武汉430070

对近年来基于金属有机框架的光催化抗菌材料进行了梳理,包括掺杂金属纳米粒子的MOFs材料、异质结MOFs材料、卟啉基MOFs材料以及其他MOFs材料,旨在为相关领域的研究与实践提供参考。

关键词：金属有机框架光催化抗菌优化机理

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