bluuebunny/crossref_metadata_2025 huggingface dataset:
Subluxation of the Long Head Biceps Tendon Diagnosed by Dynamic Ultrasound
Authors: Park Sang Eun , Jung Jae Jung , Lee Yeon Soo , Kim Young Yul , Kim Myung Jin , Ji Jong Hun
Published: April 2012

PURPOSE: To report the usefulness of dynamic ultrasonography in subluxation of the long head of the biceps tendon, which is difficult to detect with static imaging such as plain radiography, static sonography, MRI and in a subtle physical examination.MATERIALS AND METHODS: Two male patients suffered from subluxation of the long head of the biceps. This difficult diagnosis? was managed by surgery (biceps soft tissue tenodesis) with the aid of dynamic ultrasonography. At final follow up, we evaluated patients' symptoms and functional outcomes using KSS, UCLA and ASES scores.RESULTS: We diagnosed and treated subluxation of the long head of the biceps easily using dynamic ultrasonography. At the final follow up, both patients' symptoms and functional outcomes were improved. There were no significant complications.CONCLUSION: Dynamic ultrasonography is a useful method in the difficult and subtle diagnosis of subluxation of the long head of the biceps.
Calcific Tendinitis of Shoulder Associated with Intraosseous Involvement: A Case Report
Authors: Ku Jung Hoei , Cho Hyung Lae , Park Man Jun , Kim Jeong Cheol
Published: April 2012

PURPOSE: We present an atypical case of calcific tendinitis of the shoulder with intraosseous loculation.MATERIALS AND METHODS: A 59 year-old female complained of acute exacerbation of chronic left shoulder pain and restricted range of motion. Simple radiographs showed a subacromial calcific deposit and magnetic resonance imaging revealed cortical erosion with intraosseous extension of calcific material mimicking infection or tumor. She was managed with arthroscopic excision of the calcific deposit, curettage of the intraosseous lesion and subsequent rotator cuff repair with a suture anchor.RESULTS: Her acute pain promptly subsided. Her rehabilitation was uneventful and she gained full range of motion. Radiographs five months after the operation showed no recurrence of calcific material.CONCLUSION: Calcific tendinitis of the shoulder can present with a variety of images involving the adjacent bone. The correct recognition of this disorder may avoid unnecessary investigation and treatment.
The Importance of Myeloperoxidase in Apocynin-Mediated NADPH Oxidase Inhibition
Authors: de Almeida Ana Carolina , dos Santos Vilela Maria Marluce , Condino-Neto Antonio , Ximenes Valdecir F.
Published: April 2012

Apocynin is widely used as an inhibitor of the NADPH oxidase. Since myeloperoxidase (MPO) has been considered as essential for the mechanism of action of apocynin, here we used cells with different levels of MPO and compared their sensitivity to apocynin. HL-60 cells were differentiated with DMSO or IFNγ/TNFα and compared with peripheral mononuclear (PBMC) and polymorphonuclear cells (PMN). The relative MPO activity was PBMC = HL60 DMSO < HL60 IFNγ < PMN. Apocynin inhibited the intracellular reactive oxygen species production by PMN (80%) and IFNγ/TNFα-differentiated HL-60 cells (45%) but showed a minor effect in PBMC and DMSO differentiated HL-60 cells (20%). The addition of azide decreased the efficiency of apocynin in PMN and the addition of peroxidase increased the inhibition in PBMC. We also determined the gene expression of the components gp91phox, p47phox, p22phox and p67phox in the resting cells. Apocynin did not change gp91phox, p47phox or p22phox gene expression in nonstimulated PBMC, HL60 DMSO, HL60 IFNγ/TNFα, and PMN and has a subtle increase in p67phox in HL60 IFNγ/TNFα. The results from this work suggest that a rational search for better inhibitors of NADPH oxidase in leukocytes should include a correlation with their affinity as substrates for MPO.
Experimental Review of Graphene
Authors: Cooper Daniel R. , D’Anjou Benjamin , Ghattamaneni Nageswara , Harack Benjamin , Hilke Michael , Horth Alexandre , Majlis Norberto , Massicotte Mathieu , Vandsburger Leron , Whiteway Eric , Yu Victor
Published: April 2012

This review examines the properties of graphene from an experimental perspective. The intent is to review the most important experimental results at a level of detail appropriate for new graduate students who are interested in a general overview of the fascinating properties of graphene. While some introductory theoretical concepts are provided, including a discussion of the electronic band structure and phonon dispersion, the main emphasis is on describing relevant experiments and important results as well as some of the novel applications of graphene. In particular, this review covers graphene synthesis and characterization, field-effect behavior, electronic transport properties, magnetotransport, integer and fractional quantum Hall effects, mechanical properties, transistors, optoelectronics, graphene-based sensors, and biosensors. This approach attempts to highlight both the means by which the current understanding of graphene has come about and some tools for future contributions.
Some New Double-Sequence Spaces in 2-Normed Spaces Defined by Ideal Convergence and an Orlicz Function
Authors: Tug Orhan , Dogan Mutlay , Kurudirek Abdullah
Published: April 2012

We generalize some sequence spaces from single to double, we study some topological properties of these double sequence spaces by using ideal convergence, difference sequence spaces, and an Orlicz function in 2-normed spaces, and we give some results related to these sequence spaces.
A Microscopy and FTIR and PL Spectra Study of Polycrystalline Diamonds from Mengyin Kimberlite Pipes
Authors: Yang Zhijun , Liang Rong , Zeng Xiangqing , Peng Mingsheng
Published: April 2012

The results of a microscopy and FTIR and PL spectra study of the natural polycrystalline diamonds from the Mengyin kimberlite pipes show that they can be classified as the euhedral faceted polycrystalline diamonds (EFPCDs) and anhedral rounded polycrystalline diamonds (ARPCDs). Different diamond grains or their points were formed in different conditions or processes. They were not formed in diamond nucleation stage, but in the diamond growth period. They probably originated from the relatively deeper mantle and were formed in the environment like the peridotitic (P) type diamond single crystals. The EFPCDs did not undergo a remarkable dissolution process during their formation and were possibly fast formed shortly before the kimberlite eruption. The ARPCDs not only were formed at a higher temperature than the EFPCDs but also underwent a notable dissolution process and had been stored relatively longer in the mantle. Fluids or melts probably participated in the formation of the ARPCDs or modified them during the period of their storage in the mantle.
Breast Imaging for Interventional Pathologists
Authors: Lieu David
Published: April 2012

Context.—Pathologist-performed, ultrasound-guided fine-needle aspiration biopsy is one of the frontiers of pathology. The College of American Pathologists, American Society for Clinical Pathology, and American Society of Cytopathology offer courses and certificate programs for pathologists in this area. The courses emphasize the biopsy of masses in the thyroid and head and neck. There is little training in ultrasound-guided biopsy of breast masses. To successfully perform an imaging-guided biopsy of the breast, pathologists should understand the basics of mammography and breast ultrasound.

Objective.—To review the basics of mammography and breast ultrasound to help interventional pathologists add ultrasound-guided, fine-needle aspiration and core-needle biopsies of the breast to their list of core competencies.

Data Sources.—Classic and recent literature and textbooks on mammography and breast ultrasound.

Conclusions.—The heart of early breast cancer detection is the screening mammogram. Abnormalities detected on screening, such as masses, densities, architectural distortions, nipple retraction, skin thickening, abnormal lymph nodes, and microcalcifications, will lead to a diagnostic mammogram and/or breast ultrasound. Lesions classified as Breast Imaging Reporting and Data System 4 or 5, and a few classified as 3 lesions, require biopsy. If the lesion is visible on ultrasound, ultrasound-guided fine-needle aspiration biopsy and/or core-needle biopsy is the procedure of choice. Suspicious lesions visible only on mammogram require stereotactic x-ray–guided biopsy. Interventional pathologists who understand the values and limitations of mammography and breast ultrasound are ready for the challenges of pathologist-performed, ultrasound-guided, fine-needle aspiration and core-needle biopsies of the breast.
High-Quality Learning Environments for Engineering Design: Using Tablet PCs and Guidelines from Research on How People Learn
Authors: Palou Enrique , Gazca Lourdes , Díaz García Juan Antonio , Rojas Lobato José Andrés , Ojeda Luis Geraldo Guerrero , Arnal José Francisco Tamborero , Jiménez Munguía María Teresa , López-Malo Aurelio , Garibay Juan Manuel
Published: April 2012

A team of several faculty members and graduate students at Universidad de las Amricas Puebla is improving engineering design teaching and learning by creating richer learning environments that promote an interactive classroom while integrating formative assessment into classroom practices by means of Tablet PCs and associated technologies. Learning environments that are knowledge-, learner-, community-, and assessment-centered as highlighted by the How People Learn framework, have been developed. To date, the redesign of the undergraduate course entitled Introduction to Engineering Design has signicantly (p<0.05) increased student participation; formative assessment and feedback are more common and rapid; and instructors are utilizing the information gained through real-time formative assessments to tailor instruction to meet student needs. Particularly important have been opportunities to make student thinking visible and to give them chances to revise, as well as opportunities for "what if" thinking.
The Use of Maltodextrin Matrices to Control the Release of Minerals from Fortified Maté
Authors: Schmalko Miguel E. , Acuña Myrian G. , Scipioni Griselda P.
Published: April 2012

The aim of this research was to study the sensorial acceptance of a fortified food containing different minerals (calcium, magnesium and iron) and to determine the actual quantities present (bioaccessibility) when extracted in maté. A sensorial analysis was performed to compare sensorial quality of fortified and non-fortified maté. Although panelists identified differences between the fortified and non-fortified maté, only 3% of them commented on an unpleasant flavor. Sequential extraction assays were performed simulating maté consumption under laboratory conditions. Profile concentration diminished sharply after the second extraction. Magnesium was found to be completely extracted in the first 500 mL. Calcium and Iron were extracted in a very low percentage (29% and 25%, respectively). The outlet rate of the minerals was fitted to two models, and a good fitness (p < 0:001) in all cases was obtained.
Kinetics of Hydrolyzing Isolated Soy Protein by an Endopeptidase and its Conceptual Application in Process Engineering
Authors: wang zebin , Lombardi Jason , Shaffer Jessica , Wong Ted
Published: April 2012

A response study and the effects of different parameters (pH, temperature and enzyme dose) on kinetics of isolated soy protein hydrolysis by a trypsin-like endopeptidase (TL1) were conducted. Degree of hydrolysis (%DH) data varied at different times under different hydrolysis conditions. Fitting the kinetics data to Michaelis-Menten kinetics model did not result in reasonable kinetic parameters, which implied that Michaelis-Menten kinetics was invalid for such a hydrolysis process. A kinetics model proposed by (Gonzalez-Tello, Camacho, Jurado, Paez, & Guadix, 1994) was found to fit the kinetics curve well and resulted in acceptable model parameters. A simple simulation example was performed to demonstrate the concept of how the kinetics equation could be applied in process engineering.
Determination of Phenolic Compounds in Wines
Authors: Proestos Charalampos , Bakogiannis Athanasios , Komaitis Michael
Published: April 2012

Wine contains natural antioxidants such as phenolic compounds also known as bioactive compounds. Samples of commercially available Greek wines were analyzed in order to determine this phenolic content. For the analysis, Reversed Phase-High Performance Liquid Chromatography (RP-HPLC) coupled with a multiwavelength Ultraviolet/visible (UV/vis) detector was used. The most abundant phenolic substances detected were (+)-catechin (13.5-72.4 mg L-1 ), gallic acid (0.40-99.47 mg L-1) and caffeic acid (0.87-33.48 mg L-1). The principal component analysis (PCA) technique was used to study differentiation among wines according to their production area. Red wines contained more phenolic substances than white ones. Differences of the phenolic composition in wines of the same cultivar were investigated too.
Effects of Pretreatments in Convective Dehydration of Rosehip (Rosa eglanteria)
Authors: Mabellini Alejandra , Ohaco Elizabeth , Márquez Carlos Alberto , De Michelis Antonio , Lozano Jorge Enrique
Published: April 2012

The aim of this work was to experimentally determine drying curves for thin layer and bed drying of rosehip fruits, with and without pretreatments, to reduce processing times as a function of drying air operating variables, to propose dehydration kinetics of fruits and to determine its kinetic parameters for further use within drying simulation software. Fruits were pre-treated both chemically and mechanically, which included dipping the fruits in NaOH and ethyl oleate solutions; and cutting or perforating the fruit cuticle, respectively. Simulation models were then adopted to fit the kinetics drying data considering fruit volume shrinkage. These simple models minimized the calculation time during the simulation of deep-bed driers. Results show that pre-treatments reduced processing times up to 57%, and evaluated models satisfactorily predicted the drying of rosehip fruit. Effective mass diffusion coefficients were up to 4-fold greater when fruit was submitted to mechanical pretreatments.
Effect of Egg White Utilization on the Physico-Chemical and Sensory Attributes of Protein-rich Yoghurt
Authors: Gogo Lilian A , Gogo Kennedy O. , Shalo Peter L. , Mahungu Symon
Published: April 2012

High protein yoghurt was made from whole milk, fortified with egg white (30% v/v) and skim milk powder at 12% (w/v). Different yoghurt mixes, with albumin content of 15%, 30% and 45% (v/v), were prepared. The control was made from whole milk, fortified with skim milk powder at 12% (w/v). The blended premixes were pasteurized at 74ºC for 4 seconds, cooled and then inoculated with 3% (w/v) Direct Vat Set yoghurt starter culture at 45ºC. After fermentation for 3 hours in a water bath maintained at 46+-1C, product was cooled to 5ºC and then stored for 24 hours. The effect of the fortification on physico-chemical and sensory properties was investigated. Protein content increased to 8.50% at 45% egg white utilization. Susceptibility to wheying was reduced in egg-white fortified samples, without signicant difference in sensory attributes of the test samples compared to the control. Sensory analysis showed that yoghurt fortified with 45% egg white was organoleptically acceptable. The yoghurt was rated as having better sensory appeal as compared to the control.
Moisture Adsorption and Thermodynamic Properties of California Grown Almonds (Varieties: Nonpareil and Monterey)
Authors: Taitano Li Zuo , Singh Paul
Published: April 2012

Moisture adsorption characteristics of California grown almonds (Nonpareil: pasteurized and unpasteurized almonds; Monterey: pasteurized, unpasteurized and blanched almonds) were obtained using the gravimetric method over a range of water activities from 0.11 to 0.98 at 7-50ºC. The weights of almonds were measured until samples reached a constant weight. The relationship between equilibrium moisture content and water activity was established using the Guggenheim-Anderson-de Boer model. The diffusion coefficient of water in almond kernels was calculated based on Ficks second law. The monolayer moisture value of almonds ranged from 0.020 to 0.035 kg H2O kg-1 solids. The diffusion coefficient increased with temperature at a constant water activity, and decreased with water activity at a constant temperature. The thermodynamic properties (net isosteric heat, differential enthalpy and entropy) were also determined. The net isosteric heat of adsorption decreased with the increasing moisture content, and the plot of differential enthalpy versus entropy satisfied the enthalpy-entropy compensation theory. The adsorption process of almond samples was enthalpy driven over the range of studied moisture contents.
Influence of Organic Material and Biofilms on Disinfectant Efficacy Against Listeria monocytogenes
Authors: Nyati Hilda , Beumer Rijkelt , Van der Veen Stijn , Hazeleger Wilma , Abee Tjakko
Published: April 2012

The effects of organic material and biofilm formation on the efficacy of Suma Tab D4 chlorine tablets and Suma Bac D10 quaternary ammonium compound (QAC) against Listeria monocytogenes was determined in suspension and on stainless steel and polystyrene surfaces according to standard disinfectant test methodology. Exposure to 200 and 740 mg L-1 QAC and to 150 mg L-1 active chlorine resulted in a > 5.0 log10 CFU mL-1 and > 5.0 log10 CFU/coupon reduction of six L. monocytogenes strains within one minute, in suspension tests, and on stainless steel surfaces, respectively. Additionally, there was a reduction by as much as 5 log10 CFU/coupon or 5 log10 CFU/well of reference strains EGDe and Scott A biofilms within five minutes on stainless steel and polystyrene surfaces. Organic material, added as bovine serum albumin at 0.3% (w/v) completely prevented the inactivation of L. monocytogenes in 150 mg L-1 chlorine, while reductions of only 0.6 +- 0.1 log10 CFU mL-1 were recorded in the presence of UHT milk at 3% (v/v). In contrast, reductions of 5 log10 CFU mL-1 were recorded within one minute on exposure to 740 mg L-1 QAC in the presence of 0.3% (w/v) bovine serum albumin and within two minutes in the presence of 20 % (v/v) UHT milk. Although Suma D4 chlorine tablets and Suma Bac D10 QAC are effective listericidal agents at recommended concentrations, Suma Tab D4 chlorine efficacy against L. monocytogenes is impaired by the presence of low concentrations of organic material, while Suma Bac D10 QAC maintains its listericidal activity in high organic loads.
Treatment of Olive Mill Wastewater and the Use of Polyphenols Obtained After Treatment
Authors: Otles Semih , Selek Ilknur
Published: April 2012

Olive mill wastes are signicant environmental problem especially in Mediterranean areas where they are generated in huge quantities in a short period of time. They are phytotoxic materials because of their high phenol, lipid and organic acid concentrations, but these wastes also contain valuable resources that could be recycled such as a large proportion of organic matter and a wide range of nutrients. The effluent from olive oil mills contains a large amount of polyphenols that have antioxidant properties. The market value of these antioxidants is high and they are commonly used in the food, cosmetics, pharmaceutics and chemical industries. For the management of olive mill wastewater (OMW) and other olive residues, various treatment methods can be used. Many scientists work on more efficient and cheaper treatment alternatives. Due to the great variety of compounds in the waste, several technologies to remove the harmful compounds for the environment should be used single or together. Some of the most used OMW treatments are drying / evaporation, forced evaporation, thermal treatment, centrifugation-ultraltration, electrocoagulation, composting, lagooning, adsorption, powdered activated carbon, filtration, sand filtration, membrane filtration, ultrafiltration, precipitation / flocculation, distillation, electrolysis, co-composting, advanced oxidation processes (AOPs) such as ozonation, hydrogen peroxide / ferrous iron oxidation (the so-called Fentons reagent). Several OMW treatment technologies have been developed aiming at the removal of the main toxic organic compounds. A lot of factors must be considered to choose the treatment methods among them the investment, required area, specic training of the workers, noise and odour emissions and seasonality of production.
Biomimetic Delivery with Micro‐ and Nanoparticles
Authors: Balmert Stephen C. , Little Steven R.
Published: April 2012

The nascent field of biomimetic delivery with micro‐ and nanoparticles (MNP) has advanced considerably in recent years. Drawing inspiration from the ways that cells communicate in the body, several different modes of “delivery” (i.e., temporospatial presentation of biological signals) have been investigated in a number of therapeutic contexts. In particular, this review focuses on (1) controlled release formulations that deliver natural soluble factors with physiologically relevant temporal context, (2) presentation of surface‐bound ligands to cells, with spatial organization of ligands ranging from isotropic to dynamically anisotropic, and (3) physical properties of particles, including size, shape and mechanical stiffness, which mimic those of natural cells. Importantly, the context provided by multimodal, or multifactor delivery represents a key element of most biomimetic MNP systems, a concept illustrated by an analogy to human interpersonal communication. Regulatory implications of increasingly sophisticated and “cell‐like” biomimetic MNP systems are also discussed.
Development of corresponding states model for estimation of the surface tension of chemical compounds
Authors: Gharagheizi Farhad , Eslamimanesh Ali , Sattari Mehdi , Mohammadi Amir H. , Richon Dominique
Published: April 2012

The gene expression programming (GEP) strategy is applied for presenting two corresponding states models to represent/predict the surface tension of about 1,700 compounds (mostly organic) from 75 chemical families at various temperatures collected from the DIPPR 801 database. The models parameters include critical temperature or temperature/critical volume/acentric factor/critical pressure/reduced temperature/reduced normal boiling point temperature/molecular weight of the compounds. Around 1,300 surface tension data of 118 random compounds are used for developing the first model (a four‐parameter model) and about 20,000 data related to around 1,600 compounds are applied for checking its prediction capability. For the second one (a five‐parameter model), about 10,000 random data are applied for its development, and 11,000 data are used for testing its prediction ability. The statistical parameters including average absolute relative deviations of the results form dataset values (25 and 18% for the first and second models, respectively) demonstrate the accuracy of the presented models. © 2012 American Institute of Chemical Engineers AIChE J, 59: 613–621, 2013
Hypertension in FMR1 premutation males with and without fragile X‐associated tremor/ataxia syndrome (FXTAS)
Authors: Hamlin Alyssa A. , Sukharev Dina , Campos Luis , Mu Yi , Tassone Flora , Hessl David , Nguyen Danh V. , Loesch Danuta , Hagerman Randi J.
Published: April 2012

Fragile X‐associated tremor ataxia syndrome (FXTAS) is a late onset neurodegenerative disease that affects carriers of the fragile X premutation. This study seeks to assess hypertension risk and susceptibility in male premutation carriers with FXTAS. Although many symptoms and diagnostic criteria have been identified, hypertension risk has not been examined in this population. Data from 92 premutation carriers without FXTAS, 100 premutation carriers with FXTAS, and 186 controls was collected via patient medical interview. Age‐adjusted logistic regression analysis was used to examine the relative odds of hypertension. We observed a significantly elevated odds ratio (OR) of hypertension relative to controls for premutation carriers with FXTAS (OR = 3.22, 95% CI: 1.72–6.04; P = 0.0003) among participants over 40‐year old. The age‐adjusted estimated odds of hypertension in premutation carriers without FXTAS in the over 40‐year‐old age group was higher compared to controls (OR = 1.61, 95% CI: 0.82–3.16), but was not statistically significant (P = 0.164). Chronic hypertension contributes to cardiovascular complications, dementia, and increased risk of stroke. Our results indicate that the risk of hypertension is significantly elevated in male premutation carriers with FXTAS compared with carriers without FXTAS and controls. Thus, evaluation of hypertension in patients diagnosed with FXTAS should be a routine part of the treatment monitoring and intervention for this disease. © 2012 Wiley Periodicals, Inc.
Horseradish peroxidase‐mediated in situ forming hydrogels from degradable tyramine‐based poly(amido amine)s
Authors: Sun Yuanyuan , Deng Zifeng , Tian Yang , Lin Chao
Published: April 2012

Horseradish peroxidase (HRP)‐mediated crosslinking of poly(amido amine) (PAA) copolymers was successfully applied in the preparation of in situ forming degradable hydrogels under physiological conditions. PAA copolymers containing different amounts of tyramine residues (termed as pAEEOL/TA) could be synthesized through Michael‐type addition between methylenebisacryamide and amine mixture of 2‐(2‐aminoethoxy) ethanol and tyramine (TA). Depending on the amount of TA residue, the HRP, and H2O2 concentration, the gelation times could be varied from about 50 to 350 s. The swelling and degradation experiments indicated under physiological conditions the pAEEOL/TA‐based hydrogels are completely degradable within 6–8 days. Rheological analysis revealed that storage modulus of the hydrogels increased from 2500 to 4100 Pa when increasing HRP concentrations. Importantly, pAEEOL/TA copolymers have low cytotoxicity. Moreover, NIH 3T3 (mouse embryonic fibroblast) cells exposed in the degradation products of pAEEOL/TA‐based hydrogels retained high cell viability, implying that the hydrogels are cyto‐biocompatible. In vitro release of methylene blue and IgG protein from pAEEOL/TA‐based hydrogels could be effectively sustained by encapsulation of the drug in the hydrogels. The results indicate that HRP‐crosslinked, degradable pAEEOL/TA‐based hydrogels are promising for biomedical applications. © 2012 Wiley Periodicals, Inc. J. Appl. Polym. Sci., 2013
A frontier in the understanding of synaptic plasticity: Solving the structure of the postsynaptic density
Authors: Gold Matthew G.
Published: April 2012

The postsynaptic density (PSD) is a massive multi‐protein complex whose functions include positioning signalling molecules for induction of long‐term potentiation (LTP) and depression (LTD) of synaptic strength. These processes are thought to underlie memory formation. To understand how the PSD coordinates bidirectional synaptic plasticity with different synaptic activation patterns, it is necessary to determine its three‐dimensional structure. A structural model of the PSD is emerging from investigation of its molecular composition and connectivity, in addition to structural studies at different levels of resolution. Technical innovations including mass spectrometry of cross‐linked proteins and super‐resolution light microscopy can drive progress. Integrating different information relating to PSD structure is challenging since the structure is so large and complex. The reconstruction of a PSD subcomplex anchored by AKAP79 exemplifies on a small scale how integration can be achieved. With its entire molecular structure coming into focus, this is a unique opportunity to study the PSD.
Thermal stability of DNA with interstrand crosslinks
Authors: Chang Chun‐Ling , Lando Dmitri Y. , Fridman Alexander S. , Hu Chin‐Kun
Published: April 2012

Although many anticancer drugs exert their biological activity by forming DNA interstrand crosslinks (ICLs), the thermodynamics of biologically relevant long crosslinked DNAs has not been intensively studied in contrast to short duplexes. Here, we carry out computer modeling of the shift of melting temperature of long DNAs caused by ICLs taking into account crosslinking effect in itself and concomitant local alterations in the free energy (δG) of the helix–coil transition at sites of ICLs. Depending on δG, DNA interstrand crosslinks at per nucleotide concentration r = 0.05 can change the melting temperature by value from −17 to +47°C, and the influence weakly depends on DNA sequence and GC content. A change in melting temperature caused by introduction of interstrand crosslinking in modified DNA at sites of modifications also depends on δG and varies from 0 to +12°C. Comparison with experiment for the three platinum crosslinking compounds demonstrates utility of the theoretical method for understanding how crosslinking compounds can influence the melting behavior. On the basis of the method, interdependence of local distortions and crosslinking in itself was studied for thermal effect of ICLs. A method for evaluating the nature of the structural alteration that produces a change in thermal stability for short crosslinked DNA is also proposed. The methods can be used for comparative thermodynamic characterization of various DNA crosslinking agents. © 2012 Wiley Periodicals, Inc. Biopolymers 97: 807–817, 2012.
In silico assessment of cell‐free systems
Authors: Bujara Matthias , Panke Sven
Published: April 2012

Cell‐free extract (CFX)‐derived biocatalytic systems are usually embedded in a complex metabolic network, which makes chemical insulation of the production system necessary by removing enzymatic connections. While insulation can be performed by different methods, the identification of potentially disturbing reactions can become a rather lengthy undertaking requiring extensive experimental analysis and literature review. Therefore, a tool for network topology analysis in cell‐free systems was developed based on genome scale metabolic models. Genome scale metabolic models define a potential network topology for living cells, and can be adapted to the characteristics of cell‐free systems by: (i) removal of compartmentalization, (ii) application of different objective functions, (iii) enabling the accumulation of all metabolites, (iv) applying different constraints for substrate supply, and (v) constraining the reaction space through cofactor availability, microarray data, feasible reaction rates, and thermodynamics. The resulting computational tool successfully predicted for Escherichia coli‐derived CFXs a previously identified undesired pathway for dihydroxyacetone phosphate (DHAP) production from adenosine phosphates. The tool was then applied to the identification of potentially interfering pathways to further insulate a DHAP‐producing multi‐enzyme system based on CFX. Biotechnol. Bioeng. 2012; 109: 2620–2629. © 2012 Wiley Periodicals, Inc.
Study on RuO2/SnO2: Novel and Active Catalysts for CO and CH4 Oxidation
Authors: Yu Jing , Zhao Dan , Xu Xianglan , Wang Xiang , Zhang Ning
Published: April 2012

RuO2/SnO2 catalysts with 2, 5 and 10 % Ru loadings were prepared with calcined and uncalcined SnO2 supports by the impregnation method. The catalysts were evaluated for CO and CH4 oxidation and characterised by N2‐BET, XRD, hydrogen temperature programmed reduction (H2‐TPR), energy‐dispersive X‐ray spectroscopy scanning electron microscopy (EDS‐SEM) and thermogravimetric analysis differential scanning calorimetry (TGA‐DSC). Owing to the synergetic effect between RuO2 and SnO2, all RuO2/SnO2 catalysts are found to be much more active than pure SnO2 and RuO2/Al2O3 for both CO and CH4 oxidation. For RuO2 supported on uncalcined SnO2, H2‐TPR and TGA‐DSC analysis revealed the formation of a new, less active compound between Sn and Ru that consumed active SnO2 and RuO2, and could be detrimental to the synergism between RuO2 and SnO2, and thus the activity of RuO2/SnO2 catalytic system. As a consequence, it is much less active than RuO2 supported on calcined SnO2. RuO2/SnO2 catalysts are also very stable in the presence of water vapour, which gives them potential for application in after‐treatment processes.
Teaching Safety in Chemical Engineering: What, How and Who?
Authors: Pitt M. J.
Published: April 2012

The problem of teaching safety to chemical engineering students and the wider issue of teaching safety to all workers in the chemical and process industries is discussed. There is a need to distinguish between training and education and to appreciate the background of the learner with respect to language and prior knowledge. Some matters can only be properly understood when the individual has some industrial experience, and the traditional university method is not well suited to deal with the complex interactions on which safety depends. Methods of alleviating these difficulties are discussed, along with what should be taught, how, to whom and by whom.
Liver functional magnetic resonance imaging analysis using a latent variables approach
Authors: Fortuna Jeff , Elzibak Alyaa H. , Fan Zhaoyang , MacGregor John F. , Noseworthy Michael D.
Published: April 2012

The liver is a highly vascular organ with a dual blood supply, and it performs a remarkable number of vital functions. Here, we show, through measurement of blood oxygen level‐dependent (BOLD) signal, that liver arterial and hepatic portal blood supplies can be modulated through hyperoxia exposure and by consumption of a standardized meal, respectively. As such, we suggest that hyperoxia modulates the hepatic arterial BOLD signal, whereas a controlled meal changes predominantly the hepatic portal BOLD signal. The hemodynamics of the dual liver blood supplies in response to the aforementioned challenges are complex and variable across subjects, making a general linear model‐based analysis difficult. Therefore, we present the application of two local (at each voxel) hemodynamic response‐independent techniques—principal component analysis and partial least squares—to observe the hypothesized reduction in BOLD contrast during cycles of hyperoxic breathing, when comparing preprandial versus postprandial states in a normally functioning liver. We illustrate the ability of our techniques to differentiate between healthy and diseased livers with an analysis of 17 subjects—11 with normal livers and 6 with liver disease (hepatitis or cirrhosis). Our local analysis can correctly classify all of the subjects. Copyright © 2012 John Wiley & Sons, Ltd.
Bi‐modal OnPLS
Authors: Löfstedt Tommy , Eriksson Lennart , Wormbs Gunilla , Trygg Johan
Published: April 2012

This paper presents an extension to the recently published OnPLS data analysis method. Bi‐modal OnPLS allows for arbitrary block relationships in both columns and rows and is able to extract orthogonal variation in both columns and rows without bias towards any particular direction or matrix: the method is fully symmetric with regard to both rows and columns.

Bi‐modal OnPLS extracts a minimal number of globally predictive score vectors that exhibit maximal covariance and correlation in the column space and a corresponding set of predictive loading vectors that exhibit maximal correlation in the row space. The method also extracts orthogonal variation (i.e. variation that is not related to all other matrices) in both columns and rows. The method was applied to two synthetic datasets and one real data set regarding sensory information and consumer likings of dairy products. It was shown that Bi‐modal OnPLS greatly improves the intercorrelations between both loadings and scores while still finding the correct variation. This facilitates interpretation of the predictive components and makes it possible to study the orthogonal variation in the data. Copyright © 2012 John Wiley & Sons, Ltd.
Structures and Dynamic Solution Behavior of Cationic, Two‐Coordinate Gold(I)–π‐Allene Complexes
Authors: Brown Timothy J. , Sugie Atsushi , Leed Marina G. D. , Widenhoefer Ross A.
Published: April 2012

A family of seven cationic gold complexes that contain both an alkyl substituted π‐allene ligand and an electron‐rich, sterically hindered supporting ligand was isolated in >90 % yield and characterized by spectroscopy and, in three cases, by X‐ray crystallography. Solution‐phase and solid‐state analysis of these complexes established preferential binding of gold to the less substituted CC bond of the allene and to the allene π face trans to the substituent on the uncomplexed allenyl CC bond. Kinetic analysis of intermolecular allene exchange established two‐term rate laws of the form rate=k1[complex]+k2[complex][allene] consistent with allene‐independent and allene‐dependent exchange pathways with energy barriers of ΔG≠1=17.4–18.8 and ΔG≠2=15.2–17.6 kcal mol−1, respectively. Variable temperature (VT) NMR analysis revealed fluxional behavior consistent with facile (ΔG≠=8.9–11.4 kcal mol−1) intramolecular exchange of the allene π faces through η1‐allene transition states and/or intermediates that retain a staggered arrangement of the allene substituents. VT NMR/spin saturation transfer analysis of [{P(tBu)2o‐binaphthyl}Au(η2‐4,5‐nonadiene) ]+SbF6− (5), which contains elements of chirality in both the phosphine and allene ligands, revealed no epimerization of the allene ligand below the threshold for intermolecular allene exchange (ΔG≠298K=17.4 kcal mol−1), which ruled out the participation of a η1‐allylic cation species in the low‐energy π‐face exchange process for this complex.
Orthoamides and Iminium Salts LXXII: N,N,N′,N′,N′′,N′′,N′′′,N′′′‐Octamethyl‐(but‐2‐yne)‐bis(amidinium) Tetrafluoroborate: The First Bis‐amidinium Salt of Acetylenedicarboxyclic Acid. A New Superelectrophile?
Authors: Drandarov Konstantin , Tiritiris Ioannis , Wassiljew Olga , Siehl Hans‐Ullrich , Kantlehner Willi
Published: April 2012

A method for the preparation of the first acetylenedicarboxamidinium salt from a bis‐orthoamide derivative of acetylenedicarboxyclic acid has been established. The salt reacted with cyclopentadiene and furan at room temperature to give bicyclic [4+2]‐cycloaddition products. The solid compounds were characterized by solution NMR spectroscopy and by single‐crystal X‐ray diffraction. Quantum‐chemical calculations of the isolated N,N,N′,N′,N′′,N′′,N′′′,N′′′‐octamethyl‐acetylene‐bis(carboxamidinium) ion showed very good agreement with the spectroscopic and diffraction data.
ChemInform Abstract: The Synthesis of a New Class of Chiral Pincer Ligands and Their Applications in Enantioselective Catalytic Fluorinations and the Nozaki—Hiyama—Kishi Reaction.
Authors: Deng Qing‐Hai , Wadepohl Hubert , Gade Lutz H.
Published: April 2012

A new class of chiral tridentate N‐donor pincer ligands, bis(oxazolinylmethylene)isoindolines (boxmi) is prepared and shown to catalyze the title reactions with up to <99% e.e.
ChemInform Abstract: Gold‐Catalyzed Formal [3 + 3] and [4 + 2] Cycloaddition Reactions of Nitrosobenzenes with Alkenylgold Carbenoids.
Authors: Pagar Vinayak Vishnu , Jadhav Appaso Mahadev , Liu Rai‐Shung
Published: April 2012

Quinoline oxides (III) and (V) are obtained in satisfactory yields from gold‐catalyzed [3 + 3]‐cycloadditions between nitrosobenzenes and alkenyldiazo esters (I).
ChemInform Abstract: Palladium Nanoparticles Generated from Allylpalladium Chloride in situ: A Simple and Highly Efficient Catalytic System for Mizoroki—Heck Reactions.
Authors: Wang Wei , Yang Qin , Zhou Rong , Fu Hai‐Yan , Li Rui‐Xiang , Chen Hua , Li Xian‐Jun
Published: April 2012

Mizoroki—Heck reaction of aryl bromides (II) and (VII) with terminal olefins (I) and (VI) proceeds efficiently in the presence of Pd nanoparticles generated from Pd2Cl2(allyl)2.
ChemInform Abstract: α‐Formylation of α‐Substituted Ketones.
Authors: Hassan Jamal , Richards Christopher J.
Published: April 2012

(Chloromethylene)dimethylammonium chloride, prepared in situ from Me2N‐CHO/(COCl)2, reacts generally with ketones to give α‐formylated derivatives.
ChemInform Abstract: Direct Amide Formation from Unactivated Carboxylic Acids and Amines.
Authors: Allen C. Liana , Chhatwal A. Rosie , Williams Jonathan M. J.
Published: April 2012

The coupling is achieved in refluxing toluene in the absence of any catalyst.
ChemInform Abstract: Regioselective Base‐Free Intermolecular Aminohydroxylations of Hindered and Functionalized Alkenes.
Authors: Ma Zhiwei , Naylor Bradley C. , Loertscher Brad M. , Hafen Danny D. , Li Jasmine M. , Castle Steven L.
Published: April 2012

The resulting amino alcohol (IIId) is a useful precursor of dehydroamino acid esters such as (V).
ChemInform Abstract: Copper‐Catalyzed Oxidative Alkynylation of Diaryl Imines with Terminal Alkynes: A Facile Synthesis of Ynimines.
Authors: Laouiti Anouar , Rammah Mohamed M. , Rammah Mohamed B. , Marrot Jerome , Couty Francois , Evano Gwilherm
Published: April 2012

In all reactions carried out under conditions A), formation of azine by‐products is observed.
ChemInform Abstract: Rhodium(III)‐Catalyzed Intermolecular Direct Amination of Aromatic C—H Bonds with N‐Chloroamines.
Authors: Ng Ka‐Ho , Zhou Zhongyuan , Yu Wing‐Yiu
Published: April 2012

The one‐pot two‐step process without isolation of the chloroamines succeeds with comparable yields, cf.(XIX).
ChemInform Abstract: Microwave‐Enhanced Catalyst‐Free Aminolysis of Epoxides with Anilines in Aqueous Phase: Efficient Synthesis of β‐Amino Secondary Alcohols.
Authors: Du Zhengyin , Zhang Wenwen , Zhang Yuanmin , Wei Xiaohong
Published: April 2012

A fast, efficient, highly regioselective, chemoselective, catalyst‐free, and environmentally benign method for the aminolysis of epichlorohydrin and styrene oxide with various aromatic amines leading to β‐amino secondary alcohols (III) is developed.
ChemInform Abstract: Oxidation of Benzylic Azides Catalyzed by Iron(III) Chloride with Hydrogen Peroxide as Oxidant.
Authors: Zhang Hong‐Ping , Dai You‐Zhi , Tao Li‐Ming
Published: April 2012

A simple and general method for the selective oxidation of a wide range of benzylic azides to corresponding aldehydes using inexpensive and environmentally benign iron(III) chloride as catalyst and aq.
ChemInform Abstract: Highly Enantioselective Lewis Base Organocatalyzed Hydrosilylation of γ‐Imino Esters.
Authors: Xue Zhou‐Yang , Liu Li‐Xin , Jiang Yan , Yuan Wei‐Cheng , Zhang Xiao‐Mei
Published: April 2012

Various optically active γ‐amino esters are obtained by use of chiral picolinamide catalyst PPY under optimized conditions.
ChemInform Abstract: Enantio‐ and Diastereoselective Organocatalytic α‐Alkylation of Aldehydes with 3‐Substituted 2‐(Bromomethyl)acrylates.
Authors: Jimenez Jacqueline , Landa Aitor , Lizarraga Aitziber , Maestro Miguel , Mielgo Antonia , Oiarbide Mikel , Velilla Irene , Palomo Claudio
Published: April 2012

A simple and highly stereoselective approach to α‐branched aldehydes of type (III)/ (V) is reported.
ChemInform Abstract: Copper‐ and Amine‐Free Sonogashira—Hagihara Coupling Reaction Catalyzed by Pd(0) Nanoparticles Supported on Modified Crosslinked Polyacrylamide.
Authors: Tamami Bahman , Ghasemi Soheila
Published: April 2012

The method requires tetrabutylammonium bromide which acts as base and phase‐transfer catalyst.
ChemInform Abstract: Synthesis and Crystallography of 8‐Halonaphthalene‐1‐carbonitriles and Naphthalene‐1,8‐dicarbonitrile.
Authors: Noland Wayland e. , Narina Venkata Srinivasarao , Britton Doyle
Published: April 2012

8‐Halonaphthalene‐1‐carbonitriles (V) are conveniently obtained in a three‐step synthesis using the ring opening of 1H‐naphthotriazine (II) with the corresponding hydrogen halides as the key step.
ChemInform Abstract: Nickel‐Catalyzed Cross‐Coupling of Aryl C—O Based Electrophiles with Aryl Neopentylglycolboronates.
Authors: Leowanawat Pawaret , Zhang Na , Percec Virgil
Published: April 2012

The efficiency concerning coupling of aryl mesylates, sulfamates, carbamates, pivalates, carboates, and methyl ethers with boronates (II) is found to depend on the conditions.
ChemInform Abstract: Synthesis of 2‐Bromo‐1H‐indenes via Copper‐Catalyzed Intramolecular Cross‐Coupling of gem‐Dibromoolefins.
Authors: Liu Peijun , Tao Kemei , Zhao Liwen , Shen Wang , Zhang Jincun
Published: April 2012

Cyclization of activated arylated alkyl esters with an adjacent gem‐dibromoolefin under conditions A) allows the preparation of various functionalized title compounds in moderate to good yields.
ChemInform Abstract: Titanium(IV)‐Promoted Regioselective Nucleophilic Ring‐Opening Reaction of Chiral Epoxyallyl Alcohols with Acids as a Tool for Ready Access to Chiral 1,2,3‐Triol Monoesters: Application to Stereoselective Total Synthesis of Macrolides.
Authors: Krishna Palakodety Radha , Ramana D. Venkata
Published: April 2012

Ring closing metathesis of the protected 1,2,3‐trol monoesters (Vb) and (VIII) provides a short route to natural macrolides like herbarumin I (V) and II (IX).
ChemInform Abstract: Regioselective Preparation of Benzo[b]furans from Phenols and α‐Bromoketones.
Authors: Arias Leire , Vara Yosu , Cossio Fernando P.
Published: April 2012

Al2O3‐mediated treatment of activated phenols with α‐bromoacetophenones results in formation of 2‐substituted benzofurans.
ChemInform Abstract: Diastereo‐ and Enantioselective Synthesis of Fluorinated Proline Derivatives via Copper(I)‐Catalyzed Asymmetric 1,3‐Dipolar Cycloaddition.
Authors: Li Qing , Ding Chang‐Hua , Li Xiao‐Hui , Weissensteiner Walter , Hou Xue‐Long
Published: April 2012

Optimal conditions include a catalyst derived from commercially available chiral Walphos ligand.
ChemInform Abstract: Carbon—Carbon Bond‐Forming Reactions of α‐Thioaryl Carbonyl Compounds for the Synthesis of Complex Heterocyclic Molecules.
Authors: Biggs‐Houck James E. , Davis Rebecca L. , Wei Jingqiang , Mercado Brandon Q. , Olmstead Marilyn M. , Tantillo Dean J. , Shaw Jared T.
Published: April 2012

Several methods for the C—C bond formation of α‐thioaryl carbonyl compounds are reported.
ChemInform Abstract: Stereoselective Synthesis of Geometrically Strained, Oxindole‐Appended Vinyl Cyclopropanes and Highly Substituted Cyclopentenes via Sulfur Ylide Cyclopropanation and Vinyl Cyclopropane Rearrangement.
Authors: Lingam Kandapalam Arun Prasath , Shanmugam Ponnusamy , Selvakumar Kodirajan
Published: April 2012

An initially formed sulfur ylide from allyl bromides (II) and dimethylsulfide reacts with oxoindolin‐3‐ylidenes (I) or styrene derivatives (VII) to give vinylcyclopropanes (III) and (VIII) with high diastereoselectivity.
ChemInform Abstract: “Reported, but Still Unknown”. A Closer Look into 3,4‐Bis‐ and 3,4,5‐Tris(trifluoromethyl)pyrazoles.
Authors: Gerus Igor I. , et al. et al.
Published: April 2012

Straightforward routes to title compounds (VI) and (XIV) are reported.
ChemInform Abstract: N‐(Imidazolidin‐2‐ylidene)‐1‐arylmethanamine Oxides: Synthesis, Structure and Pharmacological Evaluation.
Authors: Saczewski Jaroslaw , Hudson Alan , Laird Shayna , Rybczynska Apolonia , Boblewski Konrad , Lehmann Artur , Ma Daqing , Maze Mervyn , Watts Helena , Gdaniec Maria
Published: April 2012

All the title compounds (V) and (VI) show very weak binding affinities to imidazoline I1 receptors, but some of them exhibit good affinity to the imidazoline I2 receptors.
ChemInform Abstract: Efficient One‐Pot Synthesis of 2‐Substituted Benzimidazoles from Triacyloxyborane Intermediates.
Authors: Cui Wenge , Kargbo Robert B. , Sajjadi‐Hashemi Zohreh , Ahmed Feryan , Gauuan Jolicia F.
Published: April 2012

A novel protocol is presented for the synthesis of benzimidazoles (III) which can be extended to benzoxazoles by use of 2‐aminophenol.
ChemInform Abstract: Mechanism Selection for Regiocontrol in Base‐Assisted, Palladium‐Catalyzed Direct C—H Coupling with Halides: First Approach for Oxazole‐ and Thiazole‐4‐carboxylates.
Authors: Theveau Laure , Verrier Cecile , Lassalas Pierrik , Martin Thibaut , Dupas Georges , Querolle Olivier , Van Hijfte Luc , Marsais Francis , Hoarau Christophe
Published: April 2012

Both base‐assisted non‐concerted (nCMD) and concerted metallation—deprotonation (CMD) reactions are identified as potent operating mechanisms in palladoim‐catalyzed direct C—H couplings of oxazole and thiazole‐4‐carboxylates with halides.