bluuebunny/crossref_metadata_2025 huggingface dataset:
ChemInform Abstract: Synthesis of a Novel Class of Steroidal Tetrazolo[1,5‐a]pyridines via Intramolecular 1,3‐Dipolar Cycloadditions.
Authors: Gogoi Junali , Bezbaruah Pranjal , Saikia Pallabi , Goswami Jonalee , Gogoi Pranjal , Boruah Romesh Chandra
Published: June 2012

A 1,3‐dipolar cycloaddition of sodium azide with dinitrile precursors is followed by intramolecular cyclization.
ChemInform Abstract: Simple Conversion of Fully Protected Amino Acids to Zwitterions.
Authors: Hao Junliang , Reinhard Matt , Henry Steven S. , Seest Eric P. , Belvo Matthew D. , Monn James A.
Published: June 2012

An operationally simple method is presented for the conversion of fully protected amino acids to completely unprotected parent compounds including the mixed mGlu2 agonist/mGlu3 antagonist (IV).
ChemInform Abstract: Hyaluronidase Inhibitors from Keiskea japonica.
Authors: Murata Toshihiro , Miyase Toshio , Yoshizaki Fumihiko
Published: June 2012

Nine new compounds, shimobashiric acid A (I), C (IIa), D (IIb), shimobashiraside A (IIIa), B (IIIb), C (IV), D (V), E (VI) and F (VII), are isolated together with 20 known compounds.
ChemInform Abstract: Al—Ti—V (Aluminum—Titanium—Vanadium)
Authors: Raghavan V.
Published: June 2012

Review: ternary phase diagram and structures;11 refs.
ChemInform Abstract: N‐Heterocyclic Carbene Chemistry of Iron: Fundamentals and Applications
Authors: Ingleson Michael J. , Layfield Richard A.
Published: June 2012

Review: 64 refs.
ChemInform Abstract: The Hydrogenation of Heterocyclic Calix[4]arenes, a Transformation Leading to Novel Macrocyclic Ligands
Authors: Journot Guillaume , Jones Christopher R. , Blangy Valeria , Neier Reinhard
Published: June 2012

Review: 130 refs.
ChemInform Abstract: Cyclic Triolborate Salts: Novel Reagent for Organic Synthesis
Authors: Yamamoto Yasunori
Published: June 2012

Review: 38 refs.
ChemInform Abstract: Phenyl Trimethylsilyl Selenide
Authors: Ogawa Akiya
Published: June 2012

Review: 24 refs.
ChemInform Abstract: Supramolecular Photodimerization of Coumarins
Authors: Tanaka Koichi
Published: June 2012

Review: 19 refs.
ChemInform Abstract: Syntheses of Conjugated Polyenes, Including Cyclic Polyenes That Are Not Fully Conjugated
Authors: Koo S.
Published: June 2012

Review: 224 refs.
ChemInform Abstract: Valence Isomerization of Cyclohepta‐1,3,5‐triene and Its Heteroelement Analogues
Authors: Jansen Helen , Slootweg J. Chris , Lammertsma Koop
Published: June 2012

Review: 115 refs.
ChemInform Abstract: Template Synthesis
Authors: Clegg Jack K. , Lindoy Leonard F.
Published: June 2012

Review: anions as templates in synthesis; 99 refs.
ChemInform Abstract: The Use of Tertiary Alkylmagnesium Nucleophiles in Ni‐Catalyzed Cross‐Coupling Reactions
Authors: Joshi‐Pangu Amruta , Biscoe Mark R.
Published: June 2012

Review: 38 refs.
ChemInform Abstract: The Recent Development of Phosphine Ligands Derived from 2‐Phosphino‐Substituted Heterocycles and Their Applications in Palladium‐Catalyzed Cross‐Coupling Reactions
Authors: Wong Shun Man , So Chau Ming , Kwong Fuk Yee
Published: June 2012

Review: ca. 100 refs.
ChemInform Abstract: Organocatalytic Asymmetric Vinylogous Aldol Reactions
Authors: Bisai Vishnumaya
Published: June 2012

Review: about 50 refs.
ChemInform Abstract: Structural Mimetics of a Nucleotide Ca2+‐Mobilizing Second Messenger: Synthesis and Chemical Biology
Authors: Moreau Christelle , Swarbrick Joanna , Zhang Bo , Kirchberger Tanja , Guse Andreas H. , Potter Barry V. L.
Published: June 2012

Review: 40 refs.
ChemInform Abstract: Fluorophore‐Functionalized and Top‐Covered Resorcin[4]arene Cavitands
Authors: Pochorovski Igor , Diederich Francois
Published: June 2012

Review: 52 refs.
ChemInform Abstract: Thiohydantoins: Synthetic Strategies and Chemical Reactions
Authors: Metwally Mohamed A. , Abdel‐Latif Ehab
Published: June 2012

Review: 96 refs.
ChemInform Abstract: Radical Arylations
Authors: Vaillard Santiago E. , Studer Armido
Published: June 2012

Review: 335 refs.
ChemInform Abstract: Thermophysical Contribution of N,N‐Dimethylformamide in the Molecular Interactions with Other Solvents
Authors: Venkatesu P.
Published: June 2012

Review: 158 refs.
ChemInform Abstract: Recent Development in Carbohydrate Based Anticancer Vaccines
Authors: Yin Zhaojun , Huang Xuefei
Published: June 2012

Review: 160 refs.
ChemInform Abstract: Ionic Liquid Applications in Peptide Chemistry: Synthesis, Purification and Analytical Characterization Processes
Authors: Tietze Alesia A. , Heimer Pascal , Stark Annegret , Imhof Diana
Published: June 2012

Review: 118 refs.
ChemInform Abstract: Capturing Functional Motions of Membrane Channels and Transporters with Molecular Dynamics Simulation
Authors: Shaikh Saher Afshan , Wen Po‐Chao , Enkavi Giray , Huang Zhijian , Tajkhorshid Emad
Published: June 2012

Review: 179 refs.
ChemInform Abstract: Computational Techniques (DFT, MM, TD‐DFT, PCM)
Authors: Sheehan Rosemary , Cragg Peter J.
Published: June 2012

Review: 80 refs.
ChemInform Abstract: Scanning Tunneling Microscopy (STM)
Authors: Stoehr Meike
Published: June 2012

Review: 53 refs.
ChemInform Abstract: NMR Spectroscopy in Solution
Authors: Garcia Jesus , Martins Lucas G. , Pons Miquel
Published: June 2012

Review: 61 refs.
Reduction of Energy Demand for Industrial Dedusting Plants
Authors: Klein Gunnar‐Marcel , Schrooten Theo , Neuhaus Tim
Published: June 2012

Die Förderung gasförmiger Prozess‐ und Abluft‐Ströme, und damit verbunden der Druckverlust der Entstaubungsanlage, verursacht einen Großteil des elektrischen Energieverbrauchs industrieller Anlagen. Die Reduzierung des Druckverlustes der Entstaubungsanlagen ist hierbei der Schlüssel zur Erhöhung der Energieeffizienz. Die vorgestellten experimentellen Ergebnisse ermöglichen den wissensbasierten Einsatz von Filterschläuchen bis zu 12 m Länge. Zusammen mit geeigneter Injektortechnik und neu entwickelten Filtermedien kann der Energiebedarf für die Entstaubung um über 40 % gesenkt werden. Das vorgestellte Filter‐Expertensystem gestattet die schnelle Identifikation von Energie‐ und Betriebskostensenkungen für neue und bestehende Filteranlagen.
p16INK4a immunocytochemistry versus human papillomavirus testing for triage of women with minor cytologic abnormalities
Authors: Roelens Jolien , Reuschenbach Miriam , von Knebel Doeberitz Magnus , Wentzensen Nicolas , Bergeron Christine , Arbyn Marc
Published: June 2012

The best method for identifying women who have minor cervical lesions that require diagnostic workup remains unclear. The authors of this report performed a meta‐analysis to assess the accuracy of cyclin‐dependent kinase inhibitor 2A (p16INK4a) immunocytochemistry compared with high‐risk human papillomavirus DNA testing with Hybrid Capture 2 (HC2) to detect grade 2 or greater cervical intraepithelial neoplasia (CIN2+) and CIN3+ among women who had cervical cytology indicating atypical squamous cells of undetermined significance (ASC‐US) or low‐grade cervical lesions (LSIL). A literature search was performed in 3 electronic databases to identify studies that were eligible for this meta‐analysis. Seventeen studies were included in the meta‐analysis. The pooled sensitivity of p16INK4a to detect CIN2+ was 83.2% (95% confidence interval [CI], 76.8%‐88.2%) and 83.8% (95% CI, 73.5%‐90.6%) in ASC‐US and LSIL cervical cytology, respectively, and the pooled specificities were 71% (95% CI, 65%‐76.4%) and 65.7% (95% CI, 54.2%‐75.6%), respectively. Eight studies provided both HC2 and p16INK4a triage data. p16INK4a and HC2 had similar sensitivity, and p16INK4a has significantly higher specificity in the triage of women with ASC‐US (relative sensitivity, 0.95 [95% CI, 0.89‐1.01]; relative specificity, 1.82 [95% CI, 1.57‐2.12]). In the triage of LSIL, p16INK4a had significantly lower sensitivity but higher specificity compared with HC2 (relative sensitivity, 0.87 [95% CI, 0.81‐0.94]; relative specificity, 2.74 [95% CI, 1.99‐3.76]). The published literature indicated the improved accuracy of p16INK4a compared with HC2 testing in the triage of women with ASC‐US. In LSIL triage, p16INK4a was more specific but less sensitive. Cancer (Cancer Cytopathol) 2012. © 2012 American Cancer Society.
p16INK4a—Is the future of cervical cancer screening rosy?
Authors: Moriarty Ann T.
Published: June 2012

The author comments on a meta‐analysis in this issue regarding cyclin‐dependent kinase inhibitor 2A (p16INK4a) and the triage of women who have minimally abnormal Papanicolaou tests. The meta‐analysis provides a framework for future research; however, the method is not currently ready for widespread clinical use.
Molecular characterization of the subnuclei in rat habenula
Authors: Aizawa Hidenori , Kobayashi Megumi , Tanaka Sayaka , Fukai Tomoki , Okamoto Hitoshi
Published: June 2012

The mammalian habenula is involved in regulating the activities of serotonergic and dopaminergic neurons. It consists of the medial and lateral habenulae, with each subregion having distinct neural connectivity. Despite the functional significance, manipulating neural activity in a subset of habenular pathways remains difficult because of the poor availability of molecular markers that delineate the subnuclear structures. Thus, we examined the molecular nature of neurons in the habenular subnuclei by analyzing the gene expressions of neurotransmitter markers. The results showed that different subregions of the medial habenula (MHb) use different combinations of neurotransmitter systems and could be categorized as either exclusively glutamatergic (superior part of MHb), both substance P‐ergic and glutamatergic (dorsal region of central part of MHb), or both cholinergic and glutamatergic (inferior part, ventral region of central part, and lateral part of MHb). The superior part of the MHb strongly expressed interleukin‐18 and was innervated by noradrenergic fibers. In contrast, the inferior part, ventral region of the central part, and lateral part of the MHb were peculiar in that acetylcholine and glutamate were cotransmitted from the axonal terminals. In contrast, neurons in the lateral habenula (LHb) were almost uniformly glutamatergic. Finally, the expressions of Htr2c and Drd2 seemed complementary in the medial LHb division, whereas they coincided in the lateral division, suggesting that the medial and lateral divisions of LHb show strong heterogeneity with respect to monoamine receptor expression. These analyses clarify molecular differences between subnuclei in the mammalian habenula that support their respective functional implications. J. Comp. Neurol. 520:4051–4066, 2012. © 2012 Wiley Periodicals, Inc.
Infinitely Many Positive Solutions to Some Scalar Field Equations with Nonsymmetric Coefficients
Authors: Cerami Giovanna , Passaseo Donato , Solimini Sergio
Published: June 2012

In this paper the equation $\font\open=msbm10 at 10pt\def\R{\hbox{\open R}} - \Delta u + a(x)u = |u|^{p - 1} u\;{\rm in }\;{\R}^N $ is considered, when N ≥ 2, p > 1, and $p < {{N + 2} \over {N - 2}}$ if N ≥ 3. Assuming that the potential a(x) is a positive function belonging to $\font\open=msbm10 at 10pt\def\R{\hbox{\open R}}L_{{\rm loc}}^{N/2} ({\R}^N )$ such that a(x) → a∞ > 0 as |x|→∞ and satisfies slow decay assumptions but does not need to fulfill any symmetry property, the existence of infinitely many positive solutions, by purely variational methods, is proved. The shape of the solutions is described as is, and furthermore, their asymptotic behavior when $\font\open=msbm10 at 10pt\def\R{\hbox{\open R}}|a(x) - a_\infty |_{L_{{\rm loc}}^{N/2} ({\R}^N )} \to 0$. © 2012 Wiley Periodicals, Inc.
Performance metrics and auditing framework using application kernels for high‐performance computer systems
Authors: Furlani Thomas R. , Jones Matthew D. , Gallo Steven M. , Bruno Andrew E. , Lu Charng‐Da , Ghadersohi Amin , Gentner Ryan J. , Patra Abani , DeLeon Robert L. , von Laszewski Gregor , Wang Fugang , Zimmerman Ann
Published: June 2012

This paper describes XSEDE Metrics on Demand, a comprehensive auditing framework for use by high‐performance computing centers, which provides metrics regarding resource utilization, resource performance, and impact on scholarship and research. This role‐based framework is designed to meet the following objectives: (1) provide the user community with a tool to manage their allocations and optimize their resource utilization; (2) provide operational staff with the ability to monitor and tune resource performance; (3) provide management with a tool to monitor utilization, user base, and performance of resources; and (4) provide metrics to help measure scientific impact. Although initially focused on the XSEDE program, XSEDE Metrics on Demand can be adapted to any high‐performance computing environment. The framework includes a computationally lightweight application kernel auditing system that utilizes performance kernels to measure overall system performance. This allows continuous resource auditing to measure all aspects of system performance including filesystem performance, processor and memory performance, and network latency and bandwidth. Metrics that focus on scientific impact, such as publications, citations and external funding, will be included to help quantify the important role high‐performance computing centers play in advancing research and scholarship. Copyright © 2012 John Wiley & Sons, Ltd.
Surface‐Anchored MOF‐Based Photonic Antennae
Authors: Streit Huayna Cerqueira , Adlung Matthias , Shekhah Osama , Stammer Xia , Arslan Hasan Kemal , Zybaylo Olexandra , Ladnorg Tatjana , Gliemann Hartmut , Franzreb Matthias , Wöll Christof , Wickleder Claudia
Published: June 2012

The loading of a metal‐organic framework (MOF), [Cu3(btc)2xH2O] HKUST‐1, with europium β‐diketonate complexes is studied with the goal to using the porous molecular framework as a photonic antenna. Whereas loading of HKUST‐1 powder particles produced via the conventional solvothermal synthesis method was strongly hindered, for HKUST‐1 SURMOFs, thin MOF films fabricated using the liquid phase epitaxy method, a high filling factor can be achieved. The optical properties of the HKUST‐1‐MOFs before and after loading were analysed with the aid of luminescence spectroscopy. Careful analysis of the absorption spectra reveals the presence of an effective energy transfer between the HKUST‐1 framework and the Eu3+ centers.
Trapping Molecular SnBr2(OH)2 by Tin Alkoxide Coordination: Syntheses and Molecular Structures of [MeN(CH2CMe2O)2SnBr2]2·SnBr2(OH)2 and RN(CH2CMe2O)2SnL [R = Me, n‐Octyl; L = Lone Pair, Cr(CO)5, W(CO)5, Fe(CO)4, Br2]
Authors: Iovkova‐Berends Ljuba , Berends Thorsten , Zöller Thomas , Schollmeyer Dieter , Bradtmöller Gerrit , Jurkschat Klaus
Published: June 2012

The synthesis of the intramolecularly coordinated stannylenes and their transition‐metal complexes of the type RN(CH2CMe2O)2SnL [1: L = lone pair, R = Me; 2: L = lone pair, R = n‐octyl; 5: L =W(CO)5, R = Me; 6: L = Cr(CO)5, R = Me; 7: L =W(CO)5, R = n‐octyl; 8: L = Fe(CO)4, R = Me], and of the tin(IV) compounds RN(CH2CMe2O)2SnBr2 (9: R = Me), [MeN(CH2CMe2O)2SnBr2]2·SnBr2(OH)2 (10) and spiro‐[RN(CH2CMe2O)2]2Sn (3: R = Me; 4: R = n‐octyl) is reported. The compounds were characterized by elemental analyses, 1H, 13C, 119Sn, and 119Sn magic‐angle spinning (5, 6) NMR spectroscopy, electrospray mass spectrometry, and single‐crystal X‐ray diffraction analysis.
Chirality‐Driven Metallo‐Copolymer Formation
Authors: Torres Maria , Heinrich Benoit , Miqueu Karinne , Bellemin‐Laponnaz Stéphane
Published: June 2012

The combination of two heterochiral bisoxazoline ligands at one metal centre has been successfully used to generate coordination copolymers. The addition of a Zn metal ion to a monomer that has enantiopure C2‐symmetric bisoxazoline units placed at either end does not favour the formation of self‐aggregates. On the other hand, the use of a racemic mixture of the same ligand leads to the formation of a metallopolymeric assembly.
Insight into Pyridinium Chlorochromate Chemistry: Catalytic Oxidation of Tetrahydrofuran Compounds and Synthesis of Umbelactone
Authors: Piccialli Vincenzo , Zaccaria Sabrina , Oliviero Giorgia , D'Errico Stefano , D'Atri Valentina , Borbone Nicola
Published: June 2012

The catalytic system PCC (cat.)/H5IO6 has been used to oxidise mono‐ and polytetrahydrofuran compounds. New oxidative pathways are disclosed. 2,2,5‐Trisubstituted THF rings are converted into dicarbonyl compounds through oxidative cleavage of the C2–C3 bond. Cyclic enol ethers appear to be intermediate species in this process. Oxidation of 2,2,5‐trisubstituted α‐keto‐THF compounds proceeds with the oxidative cleavage of the C2(THF)–C=O bond to give 1,4‐diketones with degraded carbon backbones. Attack of the oxidant on 2,5‐disubstituted THF rings leads to 1,4‐diketones containing intact THF carbon frameworks. Oxidation of complex poly‐THF substrates, containing up to five THF rings, allows access to new poly‐THF compounds through regioselective THF oxidation along the poly‐THF backbones. A mechanistic explanation of the new processes consistent with the reported reactivity of PCC and the isolation of some minor products of the process is provided. The synthesis of racemic umbelactone, an antiviral natural butenolide metabolite, has been carried out by use of the developed chemistry.
Silicon insulator‐based dielectrophoresis devices for minimized heating effects
Authors: Zellner Phillip , Agah Masoud
Published: June 2012

Concentration of biological specimens that are extremely dilute in a solution is of paramount importance for their detection. Microfluidic chips based on insulator‐based DEP (iDEP) have been used to selectively concentrate bacteria and viruses. iDEP biochips are currently fabricated with glass or polymer substrates to allow for high electric fields within the channels. Joule heating is a well‐known problem in these substrates and can lead to decreased throughput and even device failure. In this work, we present, for the first time, highly efficient trapping and separation of particles in DC iDEP devices that are fabricated on silicon using a single‐etch‐step three‐dimensional microfabrication process with greatly improved heat dissipation properties. Fabrication in silicon allows for greater heat dissipation for identical geometries and operating conditions. The 3D fabrication allows for higher performance at lower applied potentials. Thermal measurements were performed on both the presented silicon chips and previously published PDMS devices comprised of microposts. Trapping and separation of 1 and 2 μm polystyrene particles was demonstrated. These results demonstrate the feasibility of high‐performance silicon iDEP devices for the next generation of sorting and concentration microsystems.
Dielectrophoretic isolation of DNA and nanoparticles from blood
Authors: Sonnenberg Avery , Marciniak Jennifer Y. , Krishnan Rajaram , Heller Michael J.
Published: June 2012

The ability to effectively detect disease‐related DNA biomarkers and drug delivery nanoparticles directly in blood is a major challenge for viable diagnostics and therapy monitoring. A DEP method has been developed which allows the rapid isolation, concentration and detection of DNA and nanoparticles directly from human and rat whole blood. Using a microarray device operating at 20 V peak‐to‐peak and 10 kHz, a wide range of high molecular weight (HMW)‐DNA and nanoparticles were concentrated into high‐field regions by positive DEP, while the blood cells were concentrated into the low‐field regions by negative DEP. A simple fluidic wash removes the blood cells while the DNA and nanoparticles remain concentrated in the DEP high‐field regions where they can be detected by fluorescence. HMW‐DNA could be detected at 260 ng/mL, which is a detection level suitable for analysis of disease‐related cell‐free circulating DNA biomarkers. Fluorescent 40 nm nanoparticles could be detected at 9.5 × 109 particles/mL, which is a level suitable for monitoring drug delivery nanoparticles. The ability to rapidly isolate and detect DNA biomarkers and nanoparticles from undiluted whole blood will benefit many diagnostic applications by significantly reducing sample preparation time and complexity.
Optimal control of linear and nonlinear asymmetric structures by means of passive energy dampers
Authors: Aguirre J. J. , Almazán J. L. , Paul C. J.
Published: June 2012

Asymmetric structures experience uneven deformation demand among different resisting planes and stories when subjected to earthquake excitation. Damage is focused in some elements jeopardizing structural integrity. These structures are common in professional practice because of architectural and functionality constraints. In this scenario the use of energy dissipation devices (EDD) has arisen as an advisable solution to balance and minimize structural damage. Procedures for the design of linear structures equipped with EDD have been widely proposed in the literature, few of them deal with the optimum spatial distribution of nonlinear systems. This paper evaluates and compares the optimized spatial damper distribution of linear and nonlinear systems. An optimization technique is presented based on control indexes called min–max algorithm. Then, this technique is compared with two simple methodologies: (i) the fully stressed design, which is an analysis‐redesign procedure, and (ii) the simplified sequential search algorithm (SSSA), which is a sequential method. It is pointed out that the SSSA is a fixed step coordinate descent type method. The examples considered show that the SSSA is a discrete approximation of the min–max algorithm, not only for linear but also for nonlinear structures equipped with linear and nonlinear EDD. Furthermore, it is found that the distribution of EDD obtained from a linear analysis is a good approximation of the nonlinear optimal solution. The SSSA is a reliable method that can be applied to achieve drift and torsional balance for design purposes; moreover, it can be implemented with conventional tools available in professional practice. Copyright © 2012 John Wiley & Sons, Ltd.
The Link Between Negative Emotions and Eating Disorder Behaviour in Patients with Anorexia Nervosa
Authors: Espeset Ester M. S. , Gulliksen Kjersti S. , Nordbø Ragnfrid H. S. , Skårderud Finn , Holte Arne
Published: June 2012

Background

Several theoretical models suggest that deficits in emotional regulation are central in the maintenance of anorexia nervosa (AN). Few studies have examined how patients view the relationship between negative affect and anorectic behaviour. We explored how patients with AN manage the aversive emotions sadness, anger, fear and disgust, and how they link these experiences to their eating disorder behaviours.

Methods

Qualitative data were collected through semi‐structured interviews with 14 women aged 19–39 years diagnosed with AN (DSM‐IV). Interviews were analyzed using Grounded Theory methods.

Results

The participants tended to inhibit expression of sadness and anger in interpersonal situations and reported high levels of anger towards themselves, self‐disgust and fear of becoming fat. Different emotions were managed by means of specific eating disorder behaviours. Sadness was particularly linked to body dissatisfaction and was managed through restrictive eating and purging. Anger was avoided by means of restrictive eating and purging and released through anorectic self‐control, self‐harm and exercising. Fear was linked to fear of fatness and was managed through restrictive eating, purging and body checking. Participants avoided the feeling of disgust by avoiding food and body focused situations.

Conclusion

Treatment models of eating disorders highlight the significance of working with emotional acceptance and coping in this patient group. Knowledge about how patients understand the relationships between their negative emotions and their anorectic behaviour may be an important addition to treatment programmes for AN. Copyright © 2012 John Wiley & Sons, Ltd and Eating Disorders Association.
Addition of dimethyl phosphite to imines bearing the L‐methionine moiety and its surprisingly poor chiral assistance
Authors: Lewkowski Jarosław , Karpowicz Rafał
Published: June 2012

The preparation of methyl 2‐{[(dimethoxyphosphoryl)‐methyl]‐amino}‐4‐methyl‐ sulfanylbutyrates (3a–e) by the addition of dimethyl phosphite to 2‐(methylidenamino)‐4‐methylsulfanylbutyric acid methyl esters (2a–e) is described. The nearly nonexisting diastereoselectivity, which was observed in all cases, is unexpected and astonishing in light of the fact that some other amino acid esters, e.g., leucine, demonstrated very high stereoselectivity in similar reactions. The separation of formed diastereoisomers occurred. © 2012 Wiley Periodicals, Inc. Heteroatom Chem 23:395–398, 2012; View this article online at wileyonlinelibrary.com. DOI 10.1002/hc.21029
Low‐serum GTA‐446 anti‐inflammatory fatty acid levels as a new risk factor for colon cancer
Authors: Ritchie Shawn A. , Tonita Jon , Alvi Riaz , Lehotay Denis , Elshoni Hoda , Myat Su‐ , McHattie James , Goodenowe Dayan B.
Published: June 2012

Gastrointestinal tract acid‐446 (GTA‐446) is a long‐chain polyunsaturated fatty acid present in the serum. A reduction of GTA‐446 levels in colorectal cancer (CRC) patients has been reported previously. Our study compared GTA‐446 levels in subjects diagnosed with CRC at the time of colonoscopy to the general population. Serum samples and pathology data were collected from 4,923 representative subjects undergoing colonoscopy and from 964 subjects from the general population. Serum GTA‐446 levels were determined using a triple‐quadrupole tandem mass spectrometry method. A low‐serum GTA‐446 level was based on the bottom tenth percentile of subjects with low risk based on age (40–49 years old) in the general population. Eighty‐six percent of newly diagnosed CRC subjects (87% for stages 0–II and 85% for stages III–IV) showed low‐serum GTA‐446 levels. A significant increase in the CRC incidence rate with age was observed in subjects with low GTA‐446 levels (p = 0.019), but not in subjects with normal levels (p = 0.86). The relative risk of CRC given a low GTA‐446 level was the highest for subjects under age 50 (10.1, 95% confidence interval [C.I.] = 6.4–16.4 in the reference population, and 7.7, 95% C.I. = 4.4–14.1 in the colonoscopy population, both p < 0.0001), and declined with age thereafter. The CRC incidence rate in subjects undergoing colonoscopy with low GTA‐446 levels was over six times higher than for subjects with normal GTA‐446 levels and twice that of subjects with gastrointestinal symptoms. The results show that a low‐serum GTA‐446 level is a significant risk factor for CRC, and a sensitive predictor of early‐stage disease.
Expression profiling shows differential molecular pathways and provides potential new diagnostic biomarkers for colorectal serrated adenocarcinoma
Authors: Conesa‐Zamora Pablo , García‐Solano José , García‐García Francisco , Turpin María del Carmen , Trujillo‐Santos Javier , Torres‐Moreno Daniel , Oviedo‐Ramírez Isabel , Carbonell‐Muñoz Rosa , Muñoz‐Delgado Encarnación , Rodriguez‐Braun Edith , Conesa Ana , Pérez‐Guillermo Miguel
Published: June 2012

Serrated adenocarcinoma (SAC) is a recently recognized colorectal cancer (CRC) subtype accounting for 7.5 to 8.7% of CRCs. It has been shown that SAC has a poorer prognosis and has different molecular and immunohistochemical features compared with conventional carcinoma (CC) but, to date, only one previous study has analyzed its mRNA expression profile by microarray. Using a different microarray platform, we have studied the molecular signature of 11 SACs and compared it with that of 15 matched CC with the aim of discerning the functions which characterize SAC biology and validating, at the mRNA and protein level, the most differentially expressed genes which were also tested using a validation set of 70 SACs and 70 CCs to assess their diagnostic and prognostic values. Microarray data showed a higher representation of morphogenesis‐, hypoxia‐, cytoskeleton‐ and vesicle transport‐related functions and also an overexpression of fascin1 (actin‐bundling protein associated with invasion) and the antiapoptotic gene hippocalcin in SAC all of which were validated both by quantitative real‐time PCR (qPCR) and immunohistochemistry. Fascin1 expression was statistically associated with KRAS mutation with 88.6% sensitivity and 85.7% specificity for SAC diagnosis and the positivity of fascin1 or hippocalcin was highly suggestive of SAC diagnosis (sensitivity = 100%). Evaluation of these markers in CRCs showing histological and molecular characteristics of high‐level microsatellite instability (MSI‐H) also helped to distinguish SACs from MSI‐H CRCs. Molecular profiling demonstrates that SAC shows activation of distinct signaling pathways and that immunohistochemical fascin1 and hippocalcin expression can be reliably used for its differentiation from other CRC subtypes.
Establishment and intra‐/inter‐laboratory validation of a standard protocol of reactive oxygen species assay for chemical photosafety evaluation
Authors: Onoue Satomi , Hosoi Kazuhiro , Wakuri Shinobu , Iwase Yumiko , Yamamoto Toshinobu , Matsuoka Naoko , Nakamura Kazuichi , Toda Tsuguto , Takagi Hironori , Osaki Naoto , Matsumoto Yasuhiro , Kawakami Satoru , Seto Yoshiki , Kato Masashi , Yamada Shizuo , Ohno Yasuo , Kojima Hajime
Published: June 2012

A reactive oxygen species (ROS) assay was previously developed for photosafety evaluation of pharmaceuticals, and the present multi‐center study aimed to establish and validate a standard protocol for ROS assay. In three participating laboratories, two standards and 42 coded chemicals, including 23 phototoxins and 19 nonphototoxic drugs/chemicals, were assessed by the ROS assay according to the standardized protocol. Most phototoxins tended to generate singlet oxygen and/or superoxide under UV–vis exposure, but nonphototoxic chemicals were less photoreactive. In the ROS assay on quinine (200 µm), a typical phototoxic drug, the intra‐ and inter‐day precisions (coefficient of variation; CV) were found to be 1.5–7.4% and 1.7–9.3%, respectively. The inter‐laboratory CV for quinine averaged 15.4% for singlet oxygen and 17.0% for superoxide. The ROS assay on 42 coded chemicals (200 µm) provided no false negative predictions upon previously defined criteria as compared with the in vitro/in vivo phototoxicity, although several false positives appeared. Outcomes from the validation study were indicative of satisfactory transferability, intra‐ and inter‐laboratory variability, and predictive capacity of the ROS assay. Copyright © 2012 John Wiley & Sons, Ltd.
Cellular responses to electrospun membranes made from blends of PLLGA with PEG and PLLGA‐b‐PEG
Authors: Ma Chi , Pang Di , Xiong Zuochun , Bai Wei , Xiong Chengdong
Published: June 2012

Control of cellular responses is crucial for the use of electrospun membranes in biomedical applications, including tissue engineering or biomedical devices. However, it is still unclear whether adhesion and proliferation of fibroblasts is stimulated or inhibited on polyethylene glycol (PEG)‐modified electrospun membranes. In this study, poly(L‐lactide‐co‐glycolide) (PLLGA)–PEG copolymer and pure PEG were blended with PLLGA, and then electrospun onto nonwoven membranes. The effects of blending of PLLGA–PEG or pure PEG on the adsorption of proteins, and further on the adhesion and proliferation of L929 fibroblasts on the electrospun membranes were investigated. Addition of PLLGA–PEG or PEG significantly improved the hydrophilicity of the electrospun membranes. Pure PEG had no obvious effects on the growth of L929 fibroblasts; in contrast, PLLGA–PEG significantly inhibited the adsorption of proteins and the proliferations of the cells on the electrospun membranes. In response to diminished protein adsorption, mRNA expression of genes related to cell adhesion and migration was up‐regulated. The limited effects of pure PEG were probably caused by its preferential dissolution, whereas membrane‐confined PLLGA–PEG displayed excellent performance on the inhibition of protein adsorption and cell proliferation. © 2012 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 100A:2897–2904, 2012.
ACL reconstruction using a novel hybrid scaffold composed of polyarylate fibers and collagen fibers
Authors: Tovar Nick , Murthy N. Sanjeeva , Kohn Joachim , Gatt Charles , Dunn Michael
Published: June 2012

The objective was to perform an initialin vivoevaluation of a novel braided hybrid polyarylate and collagen fiber scaffold for the reconstruction of the anterior cruciate ligament (ACL). The braided hybrid scaffold is composed of 75% poly(desaminotyrosyl‐tyrosine dodecyl dodecanedioate)(12,10), [p(DTD DD)] fibers and 25% type I bovine collagen fibers. The scaffold is designed to temporarily bear mechanical loads and gradually degrade as neoligament tissue is deposited. Scaffolds were electron beam sterilized and used to reconstruct the ACL in five Finnish Dorset crossed‐bred sheep in this feasibility study. At 4 (n= 1) and 12 (n= 4) weeks post‐op, scaffolds were retrieved and analyzed for cellular ingrowth and strength retention. There was extensive cell infiltration and vascularity, which increased with time. Tissue ingrowth occurred throughout the cross section in the midsubstance of the scaffolds. After 12 weeks all scaffolds were intact. Femur–scaffold–tibia complex (FSTC) explanted at 12 weeks had a yield load of 42 ± 22 N and a stiffness of 9 ± 3 N mm−1. All scaffolds were well tolerated in the intraarticular space and induced tissue ingrowth, including new blood vessels, fibroblasts, inflammatory cells, and newly deposited collagen, throughout the cross section of the scaffold. Tissue ingrowth is critical to the success of a degradable scaffold for ACL reconstruction. Long‐term studies in a large animal model are required to determine the efficacy of these novel hybrid scaffolds for ACL reconstruction. © 2012 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 100A:2913–2920, 2012.
Osteogenic differentiation of bone marrow mesenchymal stem cells on the collagen/silk fibroin bi‐template‐induced biomimetic bone substitutes
Authors: Wang Jianglin , Yang Qin , Mao Chuanbin , Zhang Shengmin
Published: June 2012

Biomimetic bone substitutes of collagen‐silk fibroin/hydroxyapatite (COL‐SF/HA) were synthesized via a bi‐template‐induced coassembly strategy. Collagen‐hydroxyapatite (COL‐HA) and silk fibroin‐hydroxyapatite (SF‐HA) served as controls were prepared with similar method. The osteogenic differentiation ability of bone marrow mesenchymal stem cells (BMSCs) seeded onto the resulting materials was evaluated both in vitro and in vivo. The results suggested that the bi‐template‐induced biomimetic substitutes were able to support the growth and proliferation of BMSCs. We further demonstrated that BMSCs were stimulated to differentiate into the osteoblast cell lineage by evaluating several specific osteogenic markers including staining of alkaline phosphate (ALP) and calcium nodular and expression of osteogenic genes of osteocalcin (OCN) and osteonectin (ONN). The rat femoral defect model was used to assess the aforementioned biomimetic bone substitutes combined with BMSCs in vivo. Histological analysis indicated that the bi‐template material exhibited good biocompatibility and strong ability of the new bone formation in comparison with the control of single‐template material in vivo. © 2012 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 100A:2929–2938, 2012.
Structural study and preliminary biological evaluation on the collagen hydrogel crosslinked by γ‐irradiation
Authors: Zhang Xiangmei , Xu Ling , Huang Xin , Wei Shicheng , Zhai Maolin
Published: June 2012

Under γ‐irradiation, concentrated collagen solutions yielded collagen hydrogels and liquid products. The molecular structure of collagen hydrogels and the source of the liquid products were studied. Furthermore, preliminary biological properties of the hydrogels were investigated. The results revealed that crosslinking occurred to form collagen hydrogel and the crosslinking density increased with the increasing of the absorbed dose, and the collagen hydrogels showed enhanced mechanical properties. Meanwhile, collagen underwent radiation degradation and water was squeezed out from hydrogel by contraction of hydrogel, yielding liquid products. Collagen hydrogels induced by γ‐irradiation maintained the backbone structure of collagen, and tyrosine partially involved in crosslinking. The irradiated collagen hydrogels have higher denatured temperature, can promote fibroblasts proliferation, and their degradation rate in vivo depended on the absorbed dose. The comprehensive results suggested that the collagen hydrogels prepared by radiation crosslinking preserved the triple helical conformation, possessed improved thermal stability and mechanical properties, excellent biocompatibility, which is expected to favor its application as biomaterials. © 2012 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 100A:2960–2969, 2012.
An electronic structure theory investigation of the physical chemistry of the intermolecular complexes of cyclopropenylidene with hydrogen halides
Authors: Varadwaj Pradeep R. , Varadwaj Arpita , Peslherbe Gilles H.
Published: June 2012

The proton accepting and donating abilities of cyclopropenylidene (c‐C3H2) on its complexation with hydrogen halides HX (X = F, Cl, Br) are analyzed using density‐functional theory with three functionals (PBE0, B3LYP, and B3LYP‐D) and benchmarked against second‐order Møller–Plesset (MP2) theory. Standard signatures including,inter alia, dipole moment enhancement, charge transfer from the carbenic lone pair to the antibonding σ*(HX) orbital, and HX bond elongation are examined to ascertain the presence of hydrogen bonding in these complexes. The latter property is found to be accompanied with a pronounced red shift in the bond stretching frequency and with a substantial increase in the infrared intensity of the band on complex formation. The MP2/aug‐cc‐pVTZ c‐C3H2···HF complex potential energy surface turns out to be an asymmetric deep single well, while asymmetric double wells are found for the c‐C3H2···HCl and c‐C3H2···HBr complexes, with an energy barrier of 4.1 kcal mol−1for proton transfer along the hydrogen bond in the latter complex. Hydrogen‐bond energy decomposition, with the reduced variational space self‐consistent field approach, indicates that there are large polarization and charge‐transfer interactions between the interacting partners in c‐C3H2···HBr compared to the other two complexes. The C···H bonds are found to be predominantly ionic with partial covalent character, unveiled by the quantum theory of atoms in molecules. The present results reveal that the c‐C3H2carbene divalent carbon can act as a proton acceptor and is responsible for the formation of hydrogen bonds in the complexes investigated. © 2012 Wiley Periodicals, Inc.
Structure and stability of coinage metal fluoride and chloride clusters (MnFn and MnCln, M = Cu, Ag, or Au; n = 1–6)
Authors: Rabilloud F.
Published: June 2012

Calculations in the framework of the density functional theory are performed to study the lowest‐energy isomers of coinage metal fluoride and chloride clusters (MnFn, MnCln, M = Cu, Ag, or Au, n = 1–6). For all calculated species starting from the trimers the most stable structures are found to be cyclic arrangements. However, planar rings are favored in the case of metal fluorides whereas metal chlorides prefer nonplanar cycles. Calculated bond lengths and infrared frequencies are compared with the available experimental data. The nature of the bonding, involving both covalent and ionic contributions, is characterized. The stability and the fragmentation are also investigated. Trimers are found to be particularly stable when considering the Gibbs free energies. © 2012 Wiley Periodicals, Inc.
Intracolonically administered adeno‐associated virus‐bone morphogenetic protein‐7 ameliorates dextran sulphate sodium‐induced acute colitis in rats
Authors: Hao Zhiming , Yang Xiaofei , Lv Yifei , Li Shuang , Purbey Bibek Kumar , Su Houqiang
Published: June 2012

Background

The current treatment of ulcerative colitis (UC) is less than ideal and has room for improvement. Bone morphogenetic protein‐7 (BMP‐7) exerts a protective effect on experimental UC. Hence, we considered that intracolonically (i.c.) administered adeno‐associated virus (AAV) delivering BMP‐7 might have therapeutic potential for UC.

Methods

Recombinant AAV type 2 vectors carrying enhanced green fluorescence protein (AAV‐EGFP), LacZ (AAV‐LacZ) and BMP‐7 (AAV‐BMP‐7) were generated. Bioluminescence imaging, β‐galactosidase assay and western blotting were applied to determine the colonic expression of EGFP, LacZ and BMP‐7, respectively, after i.c. administration of the AAVs. Disease activity index (DAI) was observed daily during the 7 days of dextran sulphate sodium (DSS) treatment initiated 4 days after i.c. AAV‐BMP‐7, AAV‐LacZ or phosphate‐buffered saline. The colonic pathological morphology, mucosal myeloperoxidase (MPO) activity, malondialdehyde content, superoxide dismutase activity and proliferating cell nuclear antigen were determined at the end of DSS treatment.

Results

When i.c administered to rats, AAV could efficiently transduce the colonic mucosa. Enema with AAV‐BMP‐7 significantly ameliorated DSS‐induced colitis as indicated by reduced DAI, decreased macroscopic and histological scores and declined MPO activity compared to the controls. Furthermore i.c. AAV‐BMP‐7 significantly prevented oxidant damage and attenuated complementary mucosal cell proliferation in the DSS‐treated rat colons.

Conclusions

Our data demonstrate that i.c. administration of AAV‐BMP‐7 efficiently mediates the ectopic BMP‐7 expression in rat colon and further ameliorates DSS‐induced UC in rats, suggesting that i.c. AAV‐BMP‐7 has the potential to be developed into an alternative therapeutic measure for the treatment of UC. Copyright © 2012 John Wiley & Sons, Ltd.
Identification of new flavan‐3‐ol monoglycosides by UHPLC‐ESI‐Q‐TOF in grapes and wine
Authors: Delcambre Adéline , Saucier Cédric
Published: June 2012

Flavan‐3‐ol monoglycosides, having four aglycons (+)‐catechin, (−)‐epicatechin, (−)‐epigallocatechin and epicatechin gallate monomeric units, are detected for the first time in Vitis vinifera L. cv. Merlot grape seeds and wine. These compounds were analyzed in red wine, seed and skin extracts by electrospray ionization quadrupole time of flight mass spectrometry (MS) in negative mode. Fragment ions derived from retro‐Diels Alder, heterocyclic ring fragmentation, benzofuran forming fragmentation and glycoside fragmentations were detected in targeted MS/MS mode. These compounds were not detected in skins; the comparative study showed evidence that these glycosylated compounds originate only from grape seeds. Our method allows for the identification of these glycosylated compounds based on their exact mass and their specific fragmentation pattern. However, exact glucose position on the monomeric units can not be determined. This work allowed us to partially identify 14 new flavan‐3‐ol monoglycosides, based on the exact mass of the molecular ions and their specific retro‐Diels Alder, heterocyclic ring fragmentation, benzofuran forming fragmentation and glycoside fragmentations. Copyright © 2012 John Wiley & Sons, Ltd.
Evidence for rapid ice flow and proglacial lake evolution around the central Strait of Magellan region, southernmost Patagonia
Authors: Lovell Harold , Stokes Chris R. , Bentley Michael J. , Benn Douglas I.
Published: June 2012

This paper presents a detailed palaeoglaciological reconstruction of ice sheet dynamics in the Seno Skyring, Seno Otway and Strait of Magellan region of the former Patagonian Ice Sheet, with a particular focus on previously hypothesised zones of rapid ice flow and the evolution of proglacial lakes. Geomorphological mapping from a combination of satellite imagery and oblique and vertical aerial photographs reveals a variety of glacial landforms that are grouped into several discrete flow‐sets and associated ice margin positions. The most distinct features are represented by flow‐sets of highly elongate streamlined glacial lineations on both sides of the Strait of Magellan. Based on the shape and dimensions of the flow‐sets and their abrupt lateral margins, a transverse and longitudinal variation in glacial lineation length and elongation ratio, and the reported presence of a potentially deformable bed and thrust moraines, the flow‐sets are interpreted as zones of rapid ice flow within the Otway and Magellan lobes. We hypothesise that this provides evidence for contemporaneous surge‐like advances within the lobes, which may explain the asymmetry in the lobate margin positions on either side of the strait. The mechanisms that initiated rapid flow are unclear, but are likely to have been influenced by internal factors such as a change in thermal/hydrological conditions at the bed. The topography of the region suggests ice‐dammed lakes would have formed as the ice lobes retreated. The westernmost of the former lakes, Lake Skyring, is delimited by a series of palaeo‐shorelines surrounding the present‐day lake Laguna Blanca and we reconstruct lake evolution based on manipulation of a digital elevation model. The size and orientation of meltwater channels and a large outwash plain indicate that Lake Skyring drained eastwards towards the Strait of Magellan, probably quite rapidly. We conclude that the potential for quasi‐independent surge‐like behaviour within adjacent lobes raises the possibility that, during climate‐driven ice expansion, some advances in this region may have been partly controlled by secondary internal feedback mechanisms. Copyright © 2012 John Wiley & Sons, Ltd.
Potential of powdered activated mustard cake for decolorising raw sugar
Authors: Singh Kaman , Bharose Ram , Verma Sudhir Kumar , Singh Vimalesh Kumar
Published: June 2012

BACKGROUND: Carbon decolorisation has become customary in the food processing industries; however, it is not economical. Extensive research has therefore been directed towards investigating potential substitutes for commercial activated carbons which might have the advantage of offering an effective, lower‐cost replacement for existing bone char or coal‐based granular activated carbon (GAC).

RESULTS: The physical (bulk density and hardness), chemical (pH and mineral content) and adsorption characteristics (iodine test, molasses test and raw sugar decolorisation efficiency) of powdered activated mustard cake (PAMC) made from de‐oiled mustard cake were determined and compared to commercial adsorbents. Although the colour removal efficiency of the PAMC is lower than that of commercial materials, it is cost effective and eco‐friendly compared to the existing decolorisation/refining processes. To reduce the load on GAC/activated carbon/charcoal, PAMC could be used on an industrial scale. A decolorisation mechanism has been postulated on the basis of oxygen surface functionalities and surface charge of the PAMC and, accordingly, charge transfer interaction seems to be responsible for the decolorisation mechanism. In addition, a complex interplay of electrostatics and dispersive interaction seem to be involved during the decolorisation process.

CONCLUSION: A low‐cost agricultural waste product in the form of de‐oiled mustard cake was converted to an efficient adsorbent, PAMC, for use in decolorising raw as well as coloured sugar solutions. The physical, chemical, adsorption characteristics and raw sugar decolorisation efficiency of PAMC were determined and compared to those of commercial adsorbents. The colour removal efficiency of the PAMC is lower than that of commercial materials but it is cost effective and eco‐friendly as compared to existing decolorisation/refining processes. The availability of the raw material for the production of PAMC further demands its use on an industrial scale. Copyright © 2012 Society of Chemical Industry