2012年第116卷48期
共28篇1. Models for mirror symmetry breaking via β-sheet-controlled copolymerization: (i) mass balance and (ii) probabilistic treatment. 13953-67页
作者:Celia,Blanco; David,Hochberg
2. Conformational exploration of two peptides and their hybrid polymer conjugates: potentialities as self-aggregating materials. 13941-52页
作者:Nurit,Haspel; Adèle D,Laurent; David,Zanuy; Ruth,Nussinov; Carlos,Alemán; Jordi,Puiggalí; Guillem,Revilla-López
3. Ferryl-oxo species produced from Fenton's reagent via a two-step pathway: minimum free-energy path analysis. 14178-82页
作者:Norifumi,Yamamoto; Nobuaki,Koga; Masataka,Nagaoka
4. The folding of acetyl(Ala)28NH2 and acetyl(Ala)40NH2 extended strand peptides into antiparallel β-sheets. A density functional theory study of β-sheets with β-turns. 14017-22页
作者:Jorge,Ali-Torres; J J,Dannenberg
5. Intramolecular electronic couplings in class II/III organic mixed-valence systems of bis(1,4-dimethoxybenzene). 14126-35页
作者:Juanhua,Yang; Weiwei,Zhang; Yubing,Si; Yi,Zhao
6. Phosphatidylethanolamine-lactose permease interaction: a comparative study based on FRET. 14023-8页
作者:Carme,Suárez-Germà; Luís M S,Loura; Oscar,Domènech; M Teresa,Montero; José Luís,Vázquez-Ibar; Jordi,Hernández-Borrell
7. Virial equation of state of water based on Wertheim's association theory. 14078-88页
作者:Hye Min,Kim; Andrew J,Schultz; David A,Kofke
8. Hydration shell parameters of aqueous alcohols: THz excess absorption and packing density. 14071-7页
作者:V,Matvejev; M,Zizi; J,Stiens
9. Detection of ligand binding to proteins through observation of hydration water. 13968-74页
作者:Saroj,Kumar; Nadejda,Eremina; Andreas,Barth
10. Introduction of a hydrogen bond between phylloquinone PhQ(A) and a threonine side-chain OH group in photosystem I. 14008-16页
作者:Sam,Mula; Michael D,McConnell; Amy,Ching; Nan,Zhao; Heather L,Gordon; Gary,Hastings; Kevin E,Redding; Art,van der Est
11. Molecular dynamics simulation study on the molecular structures of the amylin fibril models. 13991-9页
作者:Weixin,Xu; Haibin,Su; John Z H,Zhang; Yuguang,Mu
12. Photophysics of a cis axially disubstituted macrocycle: rapid intersystem crossing in a tin(IV) phthalocyanine with a half-domed geometry. 14107-14页
作者:Elizabeth,Gutiérrez-Meza; Raquel,Noria; Gilma,Granados; Virginia,Gómez-Vidales; José Zeferino,Ramírez; Hirám Isaac,Beltrán; Jorge,Peon
13. Theoretical prediction of the complexation behaviors of antitumor platinum drugs with cucurbiturils. 14029-39页
作者:Natarajan Sathiyamoorthy,Venkataramanan; Suvitha,Ambigapathy; Hiroshi,Mizuseki; Yoshiyuki,Kawazoe
14. Three-dimensional density functional study of heterogeneous nucleation of droplets on solid surfaces. 14100-6页
作者:Di,Zhou; Jianguo,Mi; Chongli,Zhong
15. Reactive dynamics study of hypergolic bipropellants: monomethylhydrazine and dinitrogen tetroxide. 14136-45页
作者:Yi,Liu; Sergey V,Zybin; Jiaqi,Guo; Adri C T,van Duin; William A,Goddard
16. The van der Waals interactions in sphere-shell and cone-shell configurations. 14051-61页
作者:Americo Boza,Troncoso; Edgar,Acosta
17. Spectroscopic study on the structural differences of thermally induced cross-linking segments in emeraldine salt and base forms of polyaniline. 14191-200页
作者:Marcelo M,Nobrega; Claudio H B,Silva; Vera R L,Constantino; Marcia L A,Temperini
18. Photoelectron spectroscopy and computational modeling of thymidine homodimer anions. 13975-81页
作者:Piotr,Storoniak; Janusz,Rak; Yeon Jae,Ko; Haopeng,Wang; Kit H,Bowen
19. Influence of a flavan-3-ol substituent on the affinity of anthocyanins (pigments) toward vinylcatechin dimers and proanthocyanidins (copigments). 14089-99页
作者:Frederico,Nave; Natércia F,Brás; Luís,Cruz; Natércia,Teixeira; Nuno,Mateus; Maria J,Ramos; Florent,Di Meo; Patrick,Trouillas; Olivier,Dangles; Victor,De Freitas
20. Acid-base property of N-methylimidazolium-based protic ionic liquids depending on anion. 14146-52页
作者:Ryo,Kanzaki; Hiroyuki,Doi; Xuedan,Song; Shota,Hara; Shin-ichi,Ishiguro; Yasuhiro,Umebayashi
21. N-acylated dipeptide tags enable precise measurement of ion temperature in peptide fragmentation. 13982-90页
作者:Jongcheol,Seo; Min-Soo,Suh; Hye-Joo,Yoon; Seung Koo,Shin
22. Folic acid-conjugated LaF3:Yb,Tm@SiO2 nanoprobes for targeting dual-modality imaging of upconversion luminescence and X-ray computed tomography. 14062-70页
作者:Jiebing,Ma; Peng,Huang; Meng,He; Liyuan,Pan; Zhijun,Zhou; Lili,Feng; Guo,Gao; Daxiang,Cui
23. Using molecular simulation to understand the structure of [C2C1im]+-alkylsulfate ionic liquids: bulk and liquid-vapor interfaces. 14159-70页
作者:Xavier,Paredes; Josefa,Fernández; Agílio A H,Pádua; Patrice,Malfreyt; Friedrich,Malberg; Barbara,Kirchner; Alfonso Sanmartín,Pensado
24. On the mechanisms of triplet excited state population in 8-azaadenine. 14000-7页
作者:João Paulo,Gobbo; Antonio Carlos,Borin
25. Tautomerization in the UDP-galactopyranose mutase mechanism: a DFT-cluster and QM/MM investigation. 14040-50页
作者:WenJuan,Huang; James W,Gauld
26. Direct observation of conformation-dependent pathways in the excited-state proton transfer of 7-hydroxyquinoline in bulk alcohols. 14153-8页
作者:Sun-Young,Park; Hyung-Bae,Kim; Byung Kuk,Yoo; Du-Jeon,Jang