bluuebunny/crossref_metadata_2025 huggingface dataset:
Preclinical Orthotopic and Intracardiac Injection Models of Human Breast Cancer Metastasis to Bone and Their Use in Drug Discovery
Authors: Scepansky Ellen , Goldstein Robert , Rosenblatt Michael
Published: March 2011

Breast cancer is the most common malignancy in women, with the development of distant metastases rendering the condition incurable. Relatively little is known about the factors governing the progression from primary tumor to metastasis, in part because of the difficulty in modeling what is a complex series of events. Detailed in this unit are descriptions of two murine models of breast cancer metastasis to bone that can be used to screen the effectiveness of new chemical entities on this disease process.Curr. Protoc. Pharmacol. 52:14.18.1‐14.18.23. © 2011 by John Wiley & Sons, Inc.
Generation of Human Embryonic Stem Cells
Authors: Peura Teija , Schaft Julia , Dumevska Biljana , Stojanov Tomas
Published: March 2011

This unit describes generation of human embryonic stem cell lines from early human embryos. The focus is on actual handling of embryos and early embryonic outgrowths, omitting steps required for actual generation, freezing, and thawing of embryos, as well as further culture and characterization of newly derived stem cells. Hence, the initial culture of embryos to a blastocyst stage is described, followed by removal of the protective zona pellucida layer, isolation of the inner cell mass (ICM), subsequent plating of ICM or whole embryo and, finally, the first few passages of an early embryonic outgrowth. A few alternative procedures for some steps such as zona removal and inner cell mass isolation are described, to allow procedures to be modified according to circumstances. Curr. Protoc. Stem Cell Biol. 16:1A.5.1‐1A.5.19. © 2011 by John Wiley & Sons, Inc.
Wood and Silk: Hierarchically Structured Biomaterials Investigated In Situ With X‐Ray and Neutron Scattering
Authors: Müller Martin , Krasnov Igor , Ogurreck Malte , Blankenburg Malte , Pazera Tomasz , Seydel Tilo
Published: March 2011

Synchrotron radiation X‐ray and neutron scattering techniques are very useful tools for the non‐destructive analysis of the structure of biopolymer materials such as wood and silk, making the in situ investigation of structural changes upon mechanical stress possible. The low‐divergence synchrotron radiation X‐rays can be focused down to sub‐micrometer size, enabling scanning studies of the wood nanostructure with (sub‐)microscopic position resolution. This article highlights very recent advances in the understanding of silk and wood micro‐ and nanostructure, which were only possible using synchrotron radiation and neutrons. Examples include the local breakdown of cellulose fibre texture in wood cell walls, the deformation mechanism of a single wood cell, the viscoelastic properties of silk and insight into molecular mechanisms in silk upon mechanical deformation.
Enhanced Fibroblasts Functions in a New Family of Hierarchically Organized Nanohybrid Elastomers
Authors: Shah Jinesh , Girase Bhupendra , Misra R. Devesh K.
Published: March 2011

Fibroblasts functions in a new family of nanohybrid network elastomers with high strength‐at‐break involving pressure‐induced curing and short chain cross‐links of inorganic nanostructures have been investigated. The concept of chemical design and synthesis involves covalently linking nanometer‐sized titania with a bi‐functional agent, acrylic acid, which has a carboxylic group to coordinate with titania and a vinyl group to form short chain cross‐links as an integral part of the silicone network structure elastomer. Interestingly, the cell–substrate interactions in the hybrid network structure elastomer are significantly different from those observed in stand alone silicone. The origin of intriguing differences in cell–substrate interactions in terms of cell attachment, viability, and proliferation and assessment of proteins actin, vinculin, and fibronectin are addressed and attributed to physico‐chemical properties (topography and hydrophilicity) and to the presence of nanocrystalline titania. The end outcome of the study is a new family of soft tissue implants with desired (enhanced cell functions) and bulk properties (long term stability–high strength‐at‐break). The integration of cellular and molecular biology with material science and engineering described here provides an insight into the ability to modulate cellular and molecular reactions in promoting osteoinductive signaling of surface adherent cells, in the present case, fibroblasts for soft tissue reconstruction.
The Significance of Gelatin in Calcium Phosphate Hybrid Bone Cement for Attachment and Differentiation of MG63 Cells
Authors: Ding Shinn‐Jyh , Shie Ming‐You
Published: March 2011

Natural polymeric gelatin can improve the handling properties of self‐setting CPCs, which are used in the repair of bone defects. This study is aimed at examining the effect of gelatin on the biological functions of MG63 osteoblast‐like cells. Gelatin‐containing CPCs show greater cellular viability than a CPC control without gelatin and significantly more FN is absorbed. Cell proliferation, with the amount of doped gelatin, and the expression of activated FAK and total integrin, with increasing gelatin content, are increased. The highest levels of total integrin, pFAK, FN, osteocalcin, bone sialoprotein, and calcium deposits are expressed by MG63 cells on the CPC containing 10% gelatin.
Influence of the Active Particles on the Self‐Healing Efficiency in Glassy Matrix
Authors: Coillot Daniel , Méar François O. , Podor Renaud , Montagne Lionel
Published: March 2011

In the present paper, we present the influence of the composition of the active particles on the self‐healing property in glass–particles (B, B4C, VB, V, or VC) composites. The thermogravimetric curves and oxidation kinetics at 700 °C of the active particles are reported. We show that the oxidation rate is higher with vanadium‐based particles than with boron‐base ones, mainly due to the formation of B2O3 that acts as a diffusion barrier to oxygen. In situ healing of cracks in composites was observed using high‐temperature environmental scanning electron microscopy (HT‐ESEM). The composition of the phases formed by reaction between the oxidation products and the glassy matrix is systematically determined. Self‐healing occurs as a consequence of oxidation of active particles, which leads to the formation of an oxide, such as V2O5 and/or B2O3 that is fluid enough to fill in the crack at high temperature. The crack healing is obtained whatever the nature of the active particle.
Real‐Time Investigation of Crystallization and Phase‐Segregation Dynamics in P3HT:PCBM Solar Cells During Thermal Annealing
Authors: Agostinelli Tiziano , Lilliu Samuele , Labram John G. , Campoy‐Quiles Mariano , Hampton Mark , Pires Ellis , Rawle Jonathan , Bikondoa Oier , Bradley Donal D. C. , Anthopoulos Thomas D. , Nelson Jenny , Macdonald J. Emyr
Published: March 2011

Crystallization and phase segregation during thermal annealing lead to the increase of power‐conversion efficiency in poly(3‐hexylthiophene) (P3HT):[6,6]‐phenyl C61‐butyric acid methyl ester (PCBM) bulk‐heterojunction solar cells. An understanding of the length and time scale on which crystallization and phase segregation occur is important to improve control of the nanomorphology. Crystallization is monitored by means of grazing incidence X‐ray diffraction in real time during thermal annealing. Furthermore, the change in film density is monitored by means of ellipsometry and the evolution of carrier mobilities by means of field effect transistors, both during annealing. From the combination of such measurements with those of device performance as a function of annealing time, it is concluded that the evolution of microstructure involves two important time windows: i) A first one of about 5 minutes duration wherein crystallization of the polymer correlates with a major increase of photocurrent; ii) a second window of about 30 minutes during which the aggregation of PCBM continues, accompanied by an increase in the fill factor.
Local expression of interleukin‐27 ameliorates collagen‐induced arthritis
Authors: Pickens Sarah R. , Chamberlain Nathan D. , Volin Michael V. , Mandelin Arthur M. , Agrawal Hemant , Matsui Masanori , Yoshimoto Takayuki , Shahrara Shiva
Published: March 2011

Objective

To determine the mechanism of action of interleukin‐27 (IL‐27) against rheumatoid arthritis (RA).

Methods

Adenovirus containing IL‐27 transcript was constructed and was locally delivered into the ankles of mice with collagen‐induced arthritis (CIA). Progression of arthritis was determined in treated and untreated mice by measuring ankle circumference and through histologic analysis. IL‐17 and its downstream targets as well as cytokines promoting Th17 cell differentiation were quantified by enzyme‐linked immunosorbent assay in CIA mouse ankles locally expressing adenoviral IL‐27 as well as in control‐treated mouse ankles. Ankles from both treatment groups were immunostained for neutrophil and monocyte migration (macrophages in the tissue). Finally, vascularization was quantified by histology and by determining ankle hemoglobin levels.

Results

Ectopic expression of IL‐27 in CIA mice ameliorated inflammation, lining hypertrophy, and bone erosion as compared with control‐treated CIA mice. Serum and joint levels of IL‐17 were significantly reduced in the IL‐27–treated group compared with the control‐treated group. Two of the main cytokines that induce Th17 cell differentiation and IL‐17 downstream target molecules were greatly down‐regulated in CIA mouse ankles receiving forced expression of IL‐27. The control mice had higher levels of vascularization and monocyte trafficking than did mice ectopically expressing IL‐27.

Conclusion

Our results suggest that increased levels of IL‐27 relieve arthritis in CIA mouse ankles. This amelioration of arthritis involves a reduction in CIA mouse serum and joint levels of IL‐17 and results in decreased IL‐17–mediated monocyte recruitment and angiogenesis. Hence, the use of IL‐27 may be a strategy for treatment of patients with RA.
Paper 3: EUROCAT data quality indicators for population‐based registries of congenital anomalies†
Authors: Loane Maria , Dolk Helen , Garne Ester , Greenlees Ruth ,   a EUROCAT Working Group
Published: March 2011

The European Surveillance of Congenital Anomalies (EUROCAT) network of population‐based congenital anomaly registries is an important source of epidemiologic information on congenital anomalies in Europe covering live births, fetal deaths from 20 weeks gestation, and terminations of pregnancy for fetal anomaly. EUROCAT's policy is to strive for high‐quality data, while ensuring consistency and transparency across all member registries. A set of 30 data quality indicators (DQIs) was developed to assess five key elements of data quality: completeness of case ascertainment, accuracy of diagnosis, completeness of information on EUROCAT variables, timeliness of data transmission, and availability of population denominator information. This article describes each of the individual DQIs and presents the output for each registry as well as the EUROCAT (unweighted) average, for 29 full member registries for 2004–2008. This information is also available on the EUROCAT website for previous years. The EUROCAT DQIs allow registries to evaluate their performance in relation to other registries and allows appropriate interpretations to be made of the data collected. The DQIs provide direction for improving data collection and ascertainment, and they allow annual assessment for monitoring continuous improvement. The DQI are constantly reviewed and refined to best document registry procedures and processes regarding data collection, to ensure appropriateness of DQI, and to ensure transparency so that the data collected can make a substantial and useful contribution to epidemiologic research on congenital anomalies. Birth Defects Research (Part A), 2011. © 2011 Wiley‐Liss, Inc.
Expression and biophysical analysis of a triple‐transmembrane domain‐containing fragment from a yeast G protein‐coupled receptor
Authors: Caroccia Katrina E. , Estephan Racha , Cohen Leah S. , Arshava Boris , Hauser Melinda , Zerbe Oliver , Becker Jeffrey M. , Naider Fred
Published: March 2011

Structural characterization of G protein‐coupled receptors (GPCRs) is hindered by the inherent hydrophobicity, flexibility, and large size of these signaling proteins. Insights into conformational preferences and the three‐dimensional (3D) structure of domains of these receptors can be obtained using polypeptide fragments of these proteins. Herein, we report the expression, purification, and biophysical characterization of a three‐transmembrane domain‐containing 131‐residue fragment of the yeast α‐factor receptor, Ste2p. Ste2p TM1–TM3 (G31–R161) was expressed as a TrpΔLE fusion protein in Escherichia coli. The expressed protein was subject to CNBr cleavage to remove the fusion tag and TM1–TM3 was purified by reverse‐phased HPLC. The cleavage product was isolated in yields of up to 20 mg per liter of culture in both unlabeled and uniformly [15N]‐labeled and [15N, 13C, 2H]‐labeled forms. The secondary structure of TM1–TM3 was determined to be helical in a number of membrane mimetic environments, including 2,2,2‐trifluoroethanol (TFE):water and lysomyristoylphosphatidylglycerol (LMPG) detergent micelles by circular dichroism. Preliminary HSQC analysis in 50% TFE:water and LMPG micelles prepared in sodium phosphate and 4‐(2‐hydroxyethyl)‐1‐piperazine ethanesulfonic acid (HEPES) buffers revealed that this fragment is suitable for structural analysis by nuclear magnetic resonance (NMR). Complete backbone assignments and a detailed localization of the secondary structural elements of TM1–TM3 in 50% TFE:water have been achieved. © 2011 Wiley Periodicals, Inc. Biopolymers (Pept Sci) 96: 757–771, 2011.
U1A protein‐stem loop 2 RNA recognition: Prediction of structural differences from protein mutations
Authors: Kormos Bethany L. , Pieniazek Susan N. , Beveridge David L. , Baranger Anne M.
Published: March 2011

Molecular dynamics (MD) simulations were carried out to compare the free and bound structures of wild type U1A protein with several Phe56 mutant U1A proteins that bind the target stem loop 2 (SL2) RNA with a range of affinities. The simulations indicate the free U1A protein is more flexible than the U1A–RNA complex for both wild type and Phe56 mutant systems. A complete analysis of the hydrogen‐bonding (HB) and non‐bonded (VDW) interactions over the course of the MD simulations suggested that changes in the interactions in the free U1A protein caused by the Phe56Ala and Phe56Leu mutations may stabilize the helical character in loop 3, and contribute to the weak binding of these proteins to SL2 RNA. Compared with wild type, changes in HB and VDW interactions in Phe56 mutants of the free U1A protein are global, and include differences in β‐sheet, loop 1 and loop 3 interactions. In the U1A–RNA complex, the Phe56Ala mutation leads to a series of differences in interactions that resonate through the complex, while the Phe56Leu and Phe56Trp mutations cause local differences around the site of mutation. The long‐range networks of interactions identified in the simulations suggest that direct interactions and dynamic processes in both the free and bound forms contribute to complex stability. © 2011 Wiley Periodicals, Inc. Biopolymers 95: 591–606, 2011.
Criminalization of stalking in Italy: One of the last among the current European member states' anti‐stalking laws
Authors: De Fazio Laura
Published: March 2011

This article illustrates the state of knowledge on stalking in Italy from the first scientific review published in 2001 to the recent anti‐stalking law, which became effective in February 2009, introducing a new article in the existing Italian Penal Code. In recent years the interest in stalking has increased progressively, such that it is now possible to find official data on the prevalence of the phenomenon in Italy. At the same time, European research activity has moved from the recognition of the phenomenon to analysis of pathways for a victim's assessment of stalking risk and enactment of legal regulation. The new law is described and analyzed. Copyright © 2011 John Wiley & Sons, Ltd.
In Vitro Selection of Proteins that Undergo Covalent Labeling with Small Molecules by Thiol‐Disulfide Exchange by Using Ribosome Display
Authors: Yanagida Hayato , Matsuura Tomoaki , Kazuta Yasuaki , Yomo Tetsuya
Published: March 2011

There is a great deal of interest in proteins that can bind covalently to target molecules, as they allow unambiguous experiments by tight binding to molecules of interest. Here, we report the generation of proteins that undergo covalent labeling with small molecules through in vitro selection by using ribosome display. Selection was performed from a mutant library of the WW domain with a biotinylated peptide as its binding target, in which the biotin and the peptide are connected by a disulfide bond. After five rounds of selection, we identified mutants carrying a particular cysteine mutation. The binding target reacted specifically with the selected mutant, even in the presence of other proteins, and resulted in the generation of biotin‐ or peptide‐labeled WW domains by thiol–disulfide exchange. When the mutant was fused to a protein of interest, the fusion protein was also labeled with biotin. Thus, the characteristics of the selected mutant should be suitable as a tag sequence that can be covalently labeled with small synthetic molecules. These results indicate that the rapid and efficient generation of such proteins is possible by ribosome display.
Unprecedented Alkylzinc–Magnesium Alkoxide Clusters as Suitable Organometallic Precursors for Magnesium‐Containing ZnO Nanoparticles
Authors: Heitz Stephan , Aksu Yilmaz , Merschjann Christoph , Driess Matthias
Published: March 2011

The synthesis and characterization of the first heterobimetallic methylzinc–magnesium alkoxide clusters [Me6MgZn6(OR)8] [R=Et (1 a), n‐Pr (1 b), nBu (1 c)] with a bis‐cubane‐shaped MgZn6O8 core is described. The thermal degradation of 1 a–c and mixtures of 1 a and the homometallic MeZn–alkoxide cubane [{MeZnOtBu}4] (2) in dry synthetic air led to wide‐band‐gap semiconducting MgxZn1−xO nanoparticles at temperatures below 500 °C. The final materials were characterized by different analytical techniques such as PXRD, REM, TEM, EDX, and IR spectroscopy. The morphology of the as‐prepared magnesium‐containing ZnO samples is influenced by the different organo groups (alkoxo) in the precursors. EDX mapping showed that magnesium is uniformly distributed in the ZnO matrix. The incorporation of magnesium led to a distortion of the ZnO lattice with increased a axis and decreased c axis parameters. Room‐temperature photoluminescence (PL) spectra reveal that the near‐band‐edge (NBE) emission of Mg2+‐doped ZnO is shifted to higher energies relative to that of pure ZnO.
Synthesis of Polyfunctional Allenes by Successive Copper‐Mediated Substitutions
Authors: Schade Matthias A. , Yamada Shigeyuki , Knochel Paul
Published: March 2011

Readily available 1,1‐dichloro‐2‐alkynes are versatile starting materials for the synthesis of polyfunctionalized allenes. They can be prepared from commercially available terminal alkynes in a two‐step procedure. The Cu‐mediated reaction of several 1,1‐propargylic derivatives with functionalized alkyl, benzylic, or allylic zinc reagents proceeds exclusively with SN2′ selectivity and allows a rapid and efficient synthesis of functionalized chloroallenes. These chloroallenes undergo a novel CuI‐catalyzed substitution reaction with functionalized arylmagnesium reagents with excellent SN2 selectivity to give trisubstituted polyfunctionalized allenes. The functional group tolerance is excellent and functionalities, such as cyano, keto, ester, phosphate, trifluoromethyl, and halogens, are well tolerated.
ChemInform Abstract: High‐Pressure Synthesis and Local Structure of Corundum‐Type In2‐2xZnxSnxO3 (x ≤ 0.7).
Authors: Hoel Cathleen A. , Amores Jose Manuel Gallardo , Moran Emilio , Alario‐Franco Miguel Angel , Gaillard Jean‐Francois , Poeppelmeier Kenneth R.
Published: March 2011

In2‐2xZnxSnxO3 solid solutions with 0.2 ≤ x ≤ 0.8 are synthesized from stoichiometric mixtures of In2O3, SnO2, and ZnO (70 kbar, 1000 °C, 30 min for x ≤ 0.7 and 1150 °C, 1 h for x = 0.8).
ChemInform Abstract: Effect of Inclining Strain on the Crystal Lattice Along an Extended Series of Lanthanide Hydroxysulfates Ln(OH)SO4 (Ln: Pr—Yb, Except Pm).
Authors: Zehnder Ralph A. , et al. et al.
Published: March 2011

The title compounds are hydrothermally prepared from aqueous solutions of Ln2(SO4)3 (Ln: Pr—Yb, except Pm) and NaOH (autoclave, 170 °C, 10 d).
ChemInform Abstract: Sulfates of the Refractory Metals: Crystal Structure and Thermal Behavior of Nb2O2(SO4)3, MoO2(SO4), WO(SO4)2, and Two Modifications of Re2O5(SO4)2.
Authors: Betke Ulf , Wickleder Mathias S.
Published: March 2011

The crystal structures of (II), (IV), (VI), and (VIII) are determined by single crystal XRD.
ChemInform Abstract: Structure‐Induced Ferromagnetic Stabilization in Free‐Standing Hexagonal Fe1.3Ge Nanowires.
Authors: Yoon Hana , Lee Alex Taekyung , Choi Eun‐Ae , Seo Kwanyong , Bagkar Nitin , Cho Jaehun , Jo Younghun , Chang K. J. , Kim Bongsoo
Published: March 2011

The title nanowires are synthesized for the first time by a chemical vapor transport process without any catalyst using a 1:1 Ge/C powder mixture and FeI2 as precursors (650→870 °C, 10 min).
ChemInform Abstract: Pyrolytic Decomposition of Ammonia Borane to Boron Nitride.
Authors: Frueh Samuel , Kellett Richard , Mallery Carl , Molter Trent , Willis William S. , King'ondu Cecil , Suib Steven L.
Published: March 2011

The thermal decomposition of NH3·BH3 is characterized by TGA, TPD‐MS, attenuated total reflectance FTIR, scanning Auger microscopy, powder XRD, FESEM, DSC, and TGA‐MS.
ChemInform Abstract: Direct Preparation of LiBH4 from Pre‐Treated LiH + B Mixture at High Pressure.
Authors: Chen Rugan , Wang Xinhua , Xu Lou , Li Hui , Chen Changpin , Chen Lixin , Pan Hongge
Published: March 2011

LiBH4 is prepared by ball milling of LiH and B under 10 MPa H2 (10 h) followed by heating at 300—500 °C under 35 MPa H2 (10 h).
ChemInform Abstract: Ca2LiC3H: A New Complex Carbide Hydride Phase Grown in Metal Flux.
Authors: Lang David A. , Zaikina Julia V. , Lovingood Derek D. , Gedris Thomas E. , Latturner Susan E.
Published: March 2011

The new title compound is synthesized by reaction of carbon and CaH2 in a Ca/Li flux with a molar ratio of C/CaH2/Ca/Li of 6:1:10:10 (1323 K, 2 h, slow cooling).
ChemInform Abstract: [M(dap)3]InSb3S7 (M: Co, Ni): Two Novel Open‐Framework Thioindate—Thioantimonates with 8‐, 12‐, and 16‐Ring Intersecting Channels.
Authors: Zhou Jian , An Litao , Zhang Feng
Published: March 2011

The new open‐framework title compounds (dap: 1,2‐diaminopropane) are solvothermally synthesized from In, Sb, Co or Ni, S, dap, and H2O (sealed Pyrex tube, 170 °C, 15 d; 27% and 42% yield for M: Co resp.
ChemInform Abstract: Yttrium(III)‐Containing Tungstoantimonate(III) Stabilized by Tetrahedral WO42‐ Capping Unit, [{Y(α‐SbW9O31(OH)2) (CH3COO)(H2O)}3(WO4)] 17‐.
Authors: Ibrahim Masooma , Mal Sib Sankar , Bassil Bassem S. , Banerjee Abhishek , Kortz Ulrich
Published: March 2011

Na16(NH4) [{Y(α‐SbW9O31(OH)2)(OAc) (H2O)}3(WO4)]·48H2O (I) is synthesized from a mixture of Na9[α‐SbW9O33], YCl3, and Na2WO4 in a LiOAc/AcOH buffer (pH: 5.3, 80 °C, 60 min; addition of NH4Cl solution, 23% yield).
ChemInform Abstract: Syntheses, Structures, and Magnetic Properties of Np3S5 and Np3Se5.
Authors: Jin Geng Bang , Skanthakumar S. , Haire Richard G. , Soderholm L. , Ibers James A.
Published: March 2011

Black prisms of the title compounds are prepared by reactions of stoichiometric mixtures of Np and S or Se in a CsCl flux at 1173 K for 4 d.
ChemInform Abstract: Ionothermal Syntheses and Characterizations of New Open‐Framework Metal Borophosphates.
Authors: Su Tan , Xing Hongzhu , Xu Jin , Yu Jihong , Xu Ruren
Published: March 2011

The structures of (IV), (VIII), and (XI) are determined by single crystal XRD.
ChemInform Abstract: Homoleptic Coinage Metal Compounds of Group(IV)heteroborates.
Authors: Schubert Hartmut , Dimmer Joerg‐Alexander , Kuechle Fritz‐Robert , Eichele Klaus , Wesemann Lars
Published: March 2011

The crystal structures of (III), (V), (VII), and (IX) are determined by single crystal XRD.
ChemInform Abstract: Planar Symmetry Incompatibility in Ru—Sn—Zn Pseudo‐Decagonal Approximants Composed of Novel Pentagonal Antiprisms.
Authors: Xiong Ding‐Bang , Okamoto Norihiko L. , Inui Haruyuki
Published: March 2011

The new pseudo‐dodecagonal approximants Ru2Sn2Zn3 and Ru4.15Sn4.96Zn5.85 are synthesized from the elements (1273 K for 5 h and 923 K for 4 d) and characterized by single crystal XRD.
ChemInform Abstract: 1,4‐Addition of Silicon Dienoates to α,β‐Unsaturated Aldehydes Catalyzed by in situ‐Generated Silicon Lewis Acid.
Authors: Yanai Hikaru , Takahashi Arata , Taguchi Takeo
Published: March 2011

The reaction of furan (Ic) with aldehydes (VI) proceeds with high 1,4‐regioselectivity and good diastereoselectivity to afford anti‐adducts (VII) as main products.
ChemInform Abstract: Fast Oxidation of Secondary Alcohols by the Bromate—Bromide System Using Cyclic Microwave Heating in Acidic Water.
Authors: Paeaekkoenen Sanna , Pursiainen Jouni , Lajunen Marja
Published: March 2011

Using an elaborated microwave heating technique, secondary aliphatic and aromatic alcohols are rapidly oxidized in excellent yields by BrOH, generated in situ.
ChemInform Abstract: Oxidative Cleavage of Alkenes Using an in situ Generated Iodonium Ion with Oxone as a Terminal Oxidant.
Authors: Thottumkara Prem P. , Vinod Thottumkara K.
Published: March 2011

Various alkenes and diol (XVII) are subjected to the optimized conditions A) or B) using cheap and benign reagents.
ChemInform Abstract: Synthesis and Application of Poly(diallyldimethylammonium tribromide) as a Novel Polymeric Brominating Agent.
Authors: Hossein Mahdavi , Zahra Kachoie
Published: March 2011

A new supported tribromide is used for the α‐bromoacetalization of ketones and for the bromination of alkenes and activated aromatic compounds.
ChemInform Abstract: Synthesis and Photophysical Properties of Novel Biphenyl Derivatives Containing Furan and Thiophene Groups.
Authors: Li Bao , Liu Bin , Li Qian , Fang Haiyan , Yu Mingxin
Published: March 2011

The title compounds (III) are synthesized via the Suzuki reaction under mild conditions.
ChemInform Abstract: Mo(CO)6‐Mediated Carbamoylation of Aryl Halides.
Authors: Ren Wei , Yamane Motoki
Published: March 2011

A simple and highly efficient method to prepare a variety of aromatic amides including primary ones and lactams is reported.
ChemInform Abstract: BF3·OEt2‐Mediated Ring Opening of Oxetanes with Ylides Derived from the Phosphoniosilylation Products of Enones.
Authors: Jung Sun Ho , Jang Sung Yeun
Published: March 2011

A four‐step, one‐pot procedure leads to products (III) and provides an efficient tool for the synthesis of β‐functionalized cyclic enones.
ChemInform Abstract: Silver‐Catalyzed Decarboxylative Halogenation of Carboxylic Acids.
Authors: Luo Yong , Pan Xiaolin , Wu Jie
Published: March 2011

The utility of the concept is successfully demonstrated for o‐nitrobenzenecarboxylic acids.
ChemInform Abstract: Highly Enantioselective Alkynylation of Trifluoropyruvate with Alkynylsilanes Catalyzed by the BINAP—Pd Complex: Access to α‐Trifluoromethyl‐Substituted Tertiary Alcohols.
Authors: Aikawa Kohsuke , Hioki Yuta , Mikami Koichi
Published: March 2011

The process is highly successful including the addition of polyynes such as (VI) and (VIII) to trifluoropyruvate (II).
ChemInform Abstract: Amidation of Aryl Halides Catalyzed by the Efficient and Recyclable Cu2O Nanoparticles.
Authors: Yao Zijian , Wei Xianwen
Published: March 2011

The system Cu2O nanoparticles/DMEDA is found to be an efficient catalyst for the amidation of aryl halides.
ChemInform Abstract: Synthesis and Biological Evaluation of Novel N‐(Alkoxyphenyl)‐aminocarbonylbenzoic Acid Derivatives as PTP1B Inhibitors.
Authors: Tong Yuan Feng , Zhang Pei , Chen Feng , Hao Ling Hua , Ye Fei , Tian Jin Ying , Wu Song
Published: March 2011

A series of novel N‐(alkoxyphenyl)‐aminocarbonylbenzoic acid derivatives (33 examples) is designed and synthesized.
ChemInform Abstract: Ga(OTf)3‐Catalyzed Direct Substitution of Alcohols with Sulfur Nucleophiles.
Authors: Han Xinping , Wu Jimmy
Published: March 2011

The only by‐product in the process is water.
ChemInform Abstract: TMSCl‐Promoted Selective Oxidation of Sulfides to Sulfoxides with Hydrogen Peroxide.
Authors: Bahrami Kiumars , Khodaei Mohammad M. , Yousefi Behrooz H. , Arabi Mehdi Seikh
Published: March 2011

TmsCl as an additive promotes the chemoselective mono‐oxidation in high yields.
ChemInform Abstract: Sodium Dithionite Initiated Addition—Lactonization of 2‐Acylamino‐4‐pentenoic Acids with Fluoroalkyl Iodides to Synthesize 4‐Fluoroalkyl‐2‐acylamino‐4‐butyrolactones.
Authors: Yang Xueyan , Yang Xianjin , Zhu Shengjie , Ye Lingling , Chen Yang , Chen Guanlong , Wu Fanhong
Published: March 2011

Optimum reaction conditions are studied.
ChemInform Abstract: Friedel—Crafts Acylation of Pyrroles and Indoles Using 1,5‐Diazabicyclo[4.3.0]non‐5‐ene (DBN) as a Nucleophilic Catalyst.
Authors: Taylor James E. , Jones Matthew D. , Williams Jonathan M. J. , Bull Steven D.
Published: March 2011

The method allows the synthesis of various derivatives including ester (XIV) as the immediate precursor of the antiinflammatory drug tolmetin (XV).
ChemInform Abstract: Highly Enantioselective Organocatalytic α‐Amination Reactions of Aryl Oxindoles: Developing Designer Multifunctional Alkaloid Catalysts.
Authors: Bui Tommy , Hernandez‐Torres Gloria , Milite Ciro , Barbas Carlos F. III
Published: March 2011

Especially the free hydroxyl groups of the dimeric quinidine catalyst are responsable for the high yields and the excellent enantioselectivities.
ChemInform Abstract: Stereoselective Synthesis of 3‐(1‐Cyanoalkylidene)oxindoles by Palladium‐Catalyzed Cyclization Reaction of 2‐(Alkynyl)aryl Isocyanates with Copper(I) Cyanide.
Authors: Miura Tomoya , Toyoshima Takeharu , Kozawa Osamu , Murakami Masahiro
Published: March 2011

The reaction provides a convenient and stereoselective method for the synthesis of the title compounds, e.g. (III).
ChemInform Abstract: Oxaziridine‐Mediated Oxyamination of Indoles: An Approach to 3‐Aminoindoles and Enantiomerically Enriched 3‐Aminopyrroloindolines.
Authors: Benkovics Tamas , Guzei Ilia A. , Yoon Tehshik P.
Published: March 2011

Regioselective oxyamination reactions of various indole substrates with oxaziridines (II) or (VI) produces aminals which undergo base‐promoted transformations to various fused pyrrole systems including the chiral α‐carboline (XII).
ChemInform Abstract: Synthetic Development and Mechanistic Study on Pd(II)‐Catalyzed Cyclization of Enediynes to Benzo[a]carbazoles.
Authors: Chen Chin‐Chau , Chin Lin‐Yu , Yang Shyh‐Chyun , Wu Ming‐Jung
Published: March 2011

In most cases, the pharmaceutically interesting products are formed within one hour.
ChemInform Abstract: Synthesis of 4‐(N‐Azolyl)‐3,5‐dinitropyrazoles.
Authors: Dalinger Igor L. , Vatsadze Irina A. , Shkineva Tatyana K. , Popova Galina P. , Shevelev Svyatoslav A.
Published: March 2011

The title compounds (III) are obtained via selective substitution reaction of the nitro group at C4‐position in pyrazoles (I) through NH‐azoles.
ChemInform Abstract: Synthesis, Reactions and Antitumor Screening of New Enaminones.
Authors: Shawali Ahmad S.
Published: March 2011

The title compounds (III), which can be used for the synthesis of a variety of heterocyclic systems, are screened for their in vitro antitumor activity against human breast cancer cell line MCF‐7.
ChemInform Abstract: Oxidation of Substituted Imidazolidin‐4‐ones: New Alternative Method Preparation of 4,5‐Dihydro‐1H‐imidazol‐5‐ones.
Authors: Panov Illia , Drabina Pavel , Padelkova Zdenka , Hanusek Jiri , Sedlak Milos
Published: March 2011

Imidazolidinones (III) and (VI), synthesized by ring closure reaction of aminocarboxamides with aldehydes, are transformed to imidazolones in the presence of several oxidizing agents.
ChemInform Abstract: Synthesis, Structures, and Herbicidal Activity of Isoxazole Derivatives.
Authors: Zhou Yuhan , Chen Yanhui , Miao Weirong , Qu Jingping
Published: March 2011

Several novel 3‐arylisoxazole derivatives are synthesized based on the ring closure reaction of arylbutanediones (I) with hydroxylamine.
ChemInform Abstract: A Simple and Efficient Synthesis of Some Novel Thiazolidine‐4‐one Derivatives.
Authors: Porshamsian Khalil , Montazeri Naser , Rad‐Moghadam Kurosh , Ali‐Asgari Safa
Published: March 2011

The reaction does not work with di‐tert‐butyl acetylenedicarboxylate.
ChemInform Abstract: 4,6‐Dinitrobenzo[c]isothiazole: Synthesis and 1,3‐Dipolar Cycloaddition to Azomethine Ylide.
Authors: Konstantinova Lidia S. , Bastrakov Maxim A. , Starosotnikov Aleksei M. , Glukhov Ivan V. , Lysov Kirill A. , Rakitin Oleg A. , Shevelev Svyatoslav A.
Published: March 2011

A new method for the synthesis of title benzoisothiazole (II) and its transformation into isothiazolopyrroloisoindole (V), a representative of a previously unknown heterocyclic system, are given.
ChemInform Abstract: Cellulose‐SO3H as a Recyclable Catalyst for the Synthesis of Tetrahydropyranols via Prins Cyclization.
Authors: Reddy B. V. Subba , Venkateswarlu A. , Kumar G. G. K. S. Narayana , Vinu A.
Published: March 2011

A efficient protocol for the reaction of aldehydes, epoxides and ketones with homoallylic alcohols using cellulose‐sulfonic acid as promotor is developed.
ChemInform Abstract: Dehydrative Intramolecular Nitrone Cycloaddition in Confined Aqueous Media: A Green Chemical Route to cis‐Fused Chromano[4,3‐c]isoxazoles.
Authors: Chatterjee Amrita , Hota Sandip K. , Banerjee Mainak , Bhattacharya Pranab K.
Published: March 2011

Use of cetyltrimethylammonium bromide as catalyst for the 1,3‐dipolar cycloaddition allows a clean, simple and high‐yielding synthesis of the title heterocyclic compounds (III) (15 examples).
ChemInform Abstract: A Simple Synthesis of Functionalized 3‐Methyl‐1‐pyridinyl‐1H‐imidazolium Salts as Bidentate N‐Heterocyclic‐carbene Precursors and Their Application in Ir‐Catalyzed Arene Borylation.
Authors: Peters Martin , Breinbauer Rolf
Published: March 2011

The preparation of title compounds of type (V) is designed.
ChemInform Abstract: “One‐Pot” Synthesis of 2‐Amino‐3‐cyano‐4,6‐diarylpyridines under Ultrasonic Irradiation and Grindstone Technology.
Authors: Gupta Ragini , Jain Anshu , Jain Meenakshi , Joshi Rahul
Published: March 2011

Two simple, novel and ecofriendly protocols for the synthesis of title compounds (III) are developed.
ChemInform Abstract: Antimycobacterial and Antimicrobial Study of New 1,2,4‐Triazoles with Benzothiazoles.
Authors: Patel Navin B. , Khan Imran H. , Rajani Smita D.
Published: March 2011

10 New 1,2,4‐triazoles of type (VI) containing the benzothiazole moiety are prepared.
ChemInform Abstract: Convenient Synthesis of 2,2‐Dimethyl‐3,4‐dihydro‐2H‐pyrano[2,3‐b]quinolines.
Authors: Parsekar Sonia B. , Amonkar Chandan P. , Parameswaran Peruninakulath S. , Tilve Santosh G.
Published: March 2011

The title compounds (V) are synthesized in a three‐step sequence.
ChemInform Abstract: Synthesis of 1‐Azaxanthones and 1‐Azathioxanthones by Yb(OTf)3/TfOH CO‐Catalyzed Intramolecular Friedel—Crafts Reaction.
Authors: Li Jie , Jin Can , Su Weike
Published: March 2011

Phenoxypyridine acids (I) and phenylthiopyridine acids (III) participate in the title reaction under solvent‐free conditions to afford the cyclized products (II) and (IV) in moderate to good yields.
ChemInform Abstract: One‐Pot Synthesis and Antimicrobial Activity of Novel Naphthyridine Derivatives.
Authors: Zheng Hui , Liu Juan , Zhang Pengfei
Published: March 2011

A one‐pot method for the preparation of the title compounds (IV) is developed.
ChemInform Abstract: Direct Synthesis of ortho‐Dihalogenated Arylpyrimidines Using Calcium Halides as Halogen Sources.
Authors: Zheng Xiaojian , Song Bingrui , Li Guifei , Liu Bingxin , Deng Hongmei , Xu Bin
Published: March 2011

A direct oxidative C—H halogenation is developed with a palladacycle as catalyst and air and cupric trifluoroacetate as reoxidants.
ChemInform Abstract: Ecofriendly and Efficient One‐Pot Procedure for the Synthesis of Quinazoline Derivatives Catalyzed by an Acidic Ionic Liquid under Aerobic Oxidation Conditions.
Authors: Dabiri Minoo , Salehi Peyman , Bahramnejad Mahboobeh
Published: March 2011

The investigated catalytic system is separated from the reaction mixture by simple extraction and can be reused several times.
ChemInform Abstract: Synthesis of Novel 6,7,8,9‐Tetrahydro‐5H‐5‐hydroxyphenyl‐2‐benzylidene‐3‐substituted Hydrazino Thiazolo(2,3‐b)quinazoline as Potent Antinociceptive and Antiinflammatory Agents.
Authors: Selvam T. Panmeer , Kumar P. Vijayaraj
Published: March 2011

Derivative (VIIa) shows the highest ulcer index, (VIIc) emerges as the most active antinociceptive agent and (VIId) exhibits the most potent antiinflammatory effects.
ChemInform Abstract: Synthesis of Tetrahydropyrido‐ and Pyrido‐[1′,2′:1,2]imidazo[4,5‐b]pyrazine Derivatives.
Authors: Parks Emma L. , Sandford Graham , Yufit Dmitrii S. , Howard Judith A. K. , Christopher John A. , Miller David D.
Published: March 2011

Novel polyfluorinated imidazolopyrazine scaffolds (III) and (IX) are obtained in a one‐step procedure from tetrafluoropyrazine (I).
ChemInform Abstract: Alumina‐Supported Cu(II), A Versatile and Recyclable Catalyst for Regioselective Ring Opening of Aziridines and Epoxides and Subsequent Cyclization to Functionalized 1,4‐Benzoxazines and 1,4‐Benzodioxanes.
Authors: Bhadra Sukalyan , Adak Laksmikanta , Samanta Subhas , Islam A. K. M. Maidul , Mukherjee Manabendra , Ranu Brindaban C.
Published: March 2011

A new, efficient, and environmentally friendly approach to various title compounds is reported which proceeds with high regio‐ and stereoselectivity.
ChemInform Abstract: Synthesis of 7‐Aza‐5‐deazapurine Analogues via Copper(I)‐Catalyzed Hydroamination of Alkynes and 1‐Iodoalkynes.
Authors: Krasnova Larissa B. , Hein Jason E. , Fokin Valery V.
Published: March 2011

Treatment of triazines of type (I) with catalytic amounts of Cu(I) salts allows new access to 7‐aza‐5‐deazapurine derivatives.
ChemInform Abstract: Synthesis of Readily Accessible Bodipy‐Based Fluorescence Derivatization Reagents for Amines.
Authors: Saito Ryota , Ito Eri
Published: March 2011

Two highly sensitive borondipyrromethene‐based fluorescence derivatization reagents (FDRs) for amines are synthesized showing prompt reactivity, even with sterically hindered amines, to provide the FDR‐labeled products (III) in very good yields.
ChemInform Abstract: A Diphosphino‐Functionalized MCM‐41‐Anchored Platinum Complex: An Efficient and Reusable Catalyst for the Hydrosilylation of Olefins.
Authors: Zha Lingfang , Hao Wenyan , Cai Mingzhong
Published: March 2011

The preparation of the new title catalyst, which is easily handled and can be separated from the product by filtration, is simple and convenient.
ChemInform Abstract: Synthesis and in vitro Anticancer Activities of Some Selenadiazole Derivatives.
Authors: Plano Daniel , Moreno Esther , Font Maria , Encio Ignacio , Palop Juan Antonio , Sanmartin Carmen
Published: March 2011

12 Selenadiazoles of type (II), (IV), or (V) and 3 of type (VII) are prepared and tested for their anticancer activities.
ChemInform Abstract: A One‐Pot Synthesis of (E,E)‐1‐Arylseleno‐Substituted 1,5‐Dien‐3‐ynes by Palladium‐Catalyzed Three Component Cross‐Coupling Reaction.
Authors: Yao Fang , Hao Wenyan , Chai Mingzhong
Published: March 2011

An efficient, simple, and stereoselective synthesis of the title compounds (IV) from readily available starting materials is developed.
ChemInform Abstract: Cytotoxic Coumarins from the Bark of Mammea siamensis.
Authors: Ngo Ngoc Trang Nhu , Nguyen Vy Thuy , Vo Hoa Van , Vang Ole , Duus Fritz , Ho Thuy‐Duong Huynh , Pham Hung Dinh , Nguyen Lien‐Hoa Dieu
Published: March 2011

The new geranylated coumarin surangin D (I) is isolated together with four known coumarins and seven xanthones.
ChemInform Abstract: Synthesis of 2‐(Substituted Benzylideneamino)‐4‐(4′‐hydroxyphenyl) Thiazoles (V) and Their O‐Glucosides (VIII).
Authors: Taile V. S. , Ingle V. N. , Hatzade K. M.
Published: March 2011

Most of the title thiazoles (V) and (VIII) exhibit low to moderate antibacterial as well as antifungal activities.
ChemInform Abstract: Total Synthesis of (.+‐.)‐Aspidospermidine Starting from 3‐Ethyl‐5‐bromo‐2‐pyrone
Authors: Cho Hyun‐Kyu , Tam Nguyen Thanh , Cho Cheon‐Gyu
Published: March 2011

involving the Pd‐catalyzed regioselective ethylation of dibromide (I), Diels—Alder cycloaddition of the resulting pyrone (III), and a subsequent lactone opening with Me‐ONa as the key steps
ChemInform Abstract: Synthesis and anti‐HIV Activity of Novel 4′‐Ethyl‐5′‐norcarbocyclic Adenosine Phosphonic Acid Analogues.
Authors: Yoo Jin Cheol , Li Hua , Lee Wonjae , Hong Joon Hee
Published: March 2011

The cyclopentane moiety is synthesized from aldehyde (I) through a de novo acyclic synthetic route using reiterative Grignard additions and ring‐closure metathesis to produce the required synthon (VIII).
ChemInform Abstract: Two New Phenolic Amides from the Seeds of Pharbitis nil.
Authors: Kim Ki Hyun , Choi Sang Un , Son Mi Won , Lee Kang Ro
Published: March 2011

Pharnilatin A (Ia) and B (Ib) are isolated and their chemical structure and stereochemistry are determined.
ChemInform Abstract: Preparation of BaMgAl10O17:Eu2+ Phosphor with Small Particle Size by Co‐Precipitation Method.
Authors: Dong Yan , Wu Zhisen , Han Xuelin , Chen Rong , Gu Weijie
Published: March 2011

The title phosphor is synthesized by addition of an aqueous solution of Al(NO3)3, Mg(NO3)2, Ba(NO3)2, and Eu2O3 into a NH4HCO3 solution containing NH4F (20—50 °C, pH 8—10) followed by calcination of the precipitate at 1200 °C (1 h) and reduction of the obtained fine powder (N2/H2, 1400—1500 °C, 2—3 h).
ChemInform Abstract: Novel Phenanthroline Derivatives for Electron Transport in Organic Light‐Emitting Diodes.
Authors: Kathirgamanathan Poopathy , Surendrakumar Sivagnanasundram , Ravichandran Seenivasagam , Vanga Raghava Reddy , Antipan‐Lara Juan , Ganeshamurugan Subramaniam , Kumaravel Muttulingham , Paramaswara Gnanamoly , Arkley Vincent
Published: March 2011

4 Phenanthroline derivatives of type (I) are prepared and their application as electron‐transporting materials in light‐emitting diodes (OLED′s) is investigated.
ChemInform Abstract: Synthesis, Biological Evaluation and Molecular Modeling of GW 501516 Analogues.
Authors: Ciocoiu Calin C. , Ravna Aina W. , Sylte Ingebrigt , Hansen Trond Vidar
Published: March 2011

Eleven analogs of GW 501516 such as (I) are prepared and subjected to biological testing in a semi‐high throughput human skeletal muscle assay.
ChemInform Abstract: Development of Novel Supported Gold Catalysts: A Materials Perspective
Authors: Ma Zhen , Dai Sheng
Published: March 2011

Review: 284 refs.
ChemInform Abstract: Effects of Impurities and Vortices on the Low‐Energy Spin Excitations in High‐Tc Materials
Authors: Andersen Brian M. , Schmid Markus , Graser Siegfried , Hirschfeld P. J. , Kampf Arno P.
Published: March 2011

Review: 56 refs.
ChemInform Abstract: Copper—Thiourea Species: From Metal Complexes to Supramolecular Architecture and Advanced Materials
Authors: Costisor Otilia , Linert Wolfgang , Sajti Ludovic , Labadi Imre , Simu Georgeta
Published: March 2011

Review: 74 refs.
ChemInform Abstract: Dialkylbiaryl Phosphines in Pd‐Catalyzed Amination: A User′s Guide
Authors: Surry David S. , Buchwald Stephen L.
Published: March 2011

Review: 237 refs.
ChemInform Abstract: Reactivity Modulation in Container Molecules
Authors: Breiner Boris , Clegg Jack K. , Nitschke Jonathan R.
Published: March 2011

Review: 53 refs.
ChemInform Abstract: Formation of a Four‐Membered Ring: Oxetanes
Authors: Abe Manabu
Published: March 2011

Review: 103 refs.
ChemInform Abstract: Organoselenium Compounds as Catalysts in Nature and Laboratory
Authors: Santi Claudio , Santoro Stefano , Battistelli Benedetta
Published: March 2011

Review: 142 refs.
ChemInform Abstract: Celite‐Supported Reagents in Organic Synthesis
Authors: Pace V. , Sinisterra J. V. , Alcantara A. R.
Published: March 2011

Review: 341 refs.
ChemInform Abstract: Direct Nuclear Halogenation of Deactivated Aryl and N‐Heteroaryl Amines
Authors: Waghmare Anirudha A. , Bose Prosenjit , Pati Hari N.
Published: March 2011

Review: 78 refs.
ChemInform Abstract: Aromatic and Heteroaromatic Substitution by SRN1 and SN1 Reactions
Authors: Penenory Alicia B. , Arguello Juan E.
Published: March 2011

Review: 73 refs.
ChemInform Abstract: Formation of Six‐Membered (and Larger) Rings
Authors: Perez‐Prieto Julia , Miranda Miguel Angel
Published: March 2011

Review: 86 refs.
ChemInform Abstract: Intermolecular Addition Reactions onto C—C Multiple Bonds
Authors: Dichiarante Valentina , Fagnoni Maurizio
Published: March 2011

Review: 85 refs.
ChemInform Abstract: Carbon—Carbon Bond Formation by the Photoelimination of Small Molecules in Solution and in Crystals
Authors: Shiraki Saori , Garcia‐Garibay Miguel A.
Published: March 2011

Review: 106 refs.
ChemInform Abstract: Metal Enolates as Synthons in Organic Chemistry
Authors: Stolz Daniel , Kazmaier Uli
Published: March 2011

Review: 183 refs.
ChemInform Abstract: Recent Advances in anti‐HIV Natural Products
Authors: Singh Inder Pal , Bodiwala Hardik S.
Published: March 2011

Review: 141 refs.
ChemInform Abstract: Gene Therapy with Vector‐Producing Multipotent Mesenchymal Stromal Cells
Authors: Okada Takashi
Published: March 2011

Review: 16 refs.
ChemInform Abstract: Theoretical and Computational Studies of Organometallic Reactions: Successful or Not?
Authors: Sakaki Shigeyoshi , Ohnishi Yu‐Ya , Sato Hirofumi
Published: March 2011

Review: 87 refs.
Monitoring the Backbone Conformation of Valinomycin by Raman Optical Activity
Authors: Yamamoto Shigeki , Watarai Hitoshi , Bouř Petr
Published: March 2011

Raman optical activity (ROA) spectroscopy is used to investigate the backbone conformation of valinomycin in methanol and dioxane solution. Experimental Raman and ROA spectral differences are interpreted by using density functional calculations, molecular dynamics, and Cartesian tensor transfer. Of the several conformers with different numbers of intramolecular hydrogen bonds which were preselected by calculations of relative energies, the dominant ones are identified on the basis of ROA. To separate the backbone signal from that of the side chains, conformational search for the isopropyl residues is performed for each backbone conformer. In dioxane, the most populated conformer does not exhibit C3 symmetry, but adopts a distorted “bracelet” structure, similar to a crystal structure. This complements previous NMR spectroscopic results that could not distinguish the nonsymmetric structures. In methanol, a different, “propeller” conformer is indicated by ROA, which has three loops resembling a standard β‐turn peptide motif. Molecular dynamics simulations suggest that the propeller structure is very flexible in methanol. Spectra simulated for geometries not having the β‐turn do not agree with experiment. On the basis of these results, a distinct +/− ROA couplet at ∼1335/1317 cm−1 observed in the extended amide III region is assigned to a turn in the valinomycin backbone.