bluuebunny/crossref_metadata_2025 huggingface dataset:
Deciphering and handling uncertainty in shale gas supply chain design and optimization: Novel modeling framework and computationally efficient solution algorithm
Authors: Gao Jiyao , You Fengqi
Published: September 2015

The optimal design and operations of shale gas supply chains under uncertainty of estimated ultimate recovery (EUR) is addressed. A two‐stage stochastic mixed‐integer linear fractional programming (SMILFP) model is developed to optimize the levelized cost of energy generated from shale gas. In this model, both design and planning decisions are considered with respect to shale well drilling, shale gas production, processing, multiple end‐uses, and transportation. To reduce the model size and number of scenarios, we apply a sample average approximation method to generate scenarios based on the real‐world EUR data. In addition, a novel solution algorithm integrating the parametric approach and the L‐shaped method is proposed for solving the resulting SMILFP problem within a reasonable computational time. The proposed model and algorithm are illustrated through a case study based on the Marcellus shale play, and a deterministic model is considered for comparison. © 2015 American Institute of Chemical Engineers AIChE J, 61: 3739–3755, 2015
Energy demand management for process systems through production scheduling and control
Authors: Tong Chudong , Palazoglu Ahmet , El‐Farra Nael H. , Yan Xuefeng
Published: September 2015

Demand response (DR) is an integral part of the Smart Grid paradigm, and has become the focus of growing research, development, and deployment in residential, commercial and industrial systems over the last few years. In process systems, energy demand management through production scheduling is an increasingly important tool that has the potential to provide significant economic and operational benefits by promoting the responsiveness of the process operation and its interactions with the utility providers. However, the dynamic behavior of the underlying process, especially during process transitions, is seldom taken into account as part of the DR problem formulation. Furthermore, the incorporation of energy constraints related to electricity pricing and energy resource availability presents an additional challenge. The goal of this study is to present a novel optimization formulation for energy demand management in process systems that accounts explicitly for transition behaviors and costs, subject to time‐sensitive electricity prices and uncertainties in renewable energy resources. The proposed formulation brings together production scheduling and closed‐loop control, and is realized through a real‐time or receding‐horizon optimization framework depending on the underlying operational scenarios. The dynamic formulation is cast as a mixed‐integer nonlinear programming problem based on a proposed discretization approach, and its merits are demonstrated using a simulated continuous stirred tank reactor where the energy required is assumed to be roughly proportional to the material flow. © 2015 American Institute of Chemical Engineers AIChE J, 61: 3756–3769, 2015
RBBP8 syndrome with microcephaly, intellectual disability, short stature and brachydactyly
Authors: Mumtaz Sara , Yıldız Esra , Jabeen Saliha , Khan Amjad , Tolun Aslıhan , Malik Sajid
Published: September 2015

Primary microcephaly is clinically variable and genetically heterogeneous. Four phenotypically distinct types of autosomal recessive microcephaly syndromes are due to different RBBP8 mutations. We report on a consanguineous Pakistani family with homozygous RBBP8 mutation c.1808_1809delTA (p.Ile603Lysfs*7) manifesting microcephaly and a distinct combination of skeletal, limb and ectodermal defects, mild intellectual disability, minor facial anomalies, anonychia, disproportionate short stature and brachydactyly, and additionally talipes in one patient. © 2015 Wiley Periodicals, Inc.
Two further patients with the 1q24 deletion syndrome expand the phenotype: A possible role for the miR199–214 cluster in the skeletal features of the condition
Authors: Ashraf Tazeen , Collinson Morag N. , Fairhurst Joanna , Wang Rubin , Wilson Louise C. , Foulds Nicola
Published: September 2015

Submicroscopic deletions within chromosome 1q24q25 are associated with a syndromic phenotype of short stature, brachydactyly, learning difficulties, and facial dysmorphism. The critical region for the deletion phenotype has previously been narrowed to a 1.9 Mb segment containing 13 genes. We describe two further patients with 1q24 microdeletions and the skeletal phenotype, the first of whom has normal intellect, whereas the second has only mild learning impairment. The deletion in the first patient is very small and further narrows the critical interval for the striking skeletal aspects of this condition to a region containing only Dynamin 3 (DNM3) and two microRNAs that are harbored within intron 14 of this gene: miR199 and miR214. Mouse studies raise the possibility that these microRNAs may be implicated in the short stature and skeletal abnormalities of this microdeletion condition. The deletion in the second patient spans the previously reported critical region and indicates that the cognitive impairment may not always be as severe as previous reports suggest. © 2015 Wiley Periodicals, Inc.
A recurrent synonymous KAT6B mutation causes Say‐Barber‐Biesecker/Young‐Simpson syndrome by inducing aberrant splicing
Authors: Yilmaz Rüstem , Beleza‐Meireles Ana , Price Susan , Oliveira Renata , Kubisch Christian , Clayton‐Smith Jill , Szakszon Katalin , Borck Guntram
Published: September 2015

Mutations of the histone acetyltransferase‐encoding KAT6B gene cause the Say‐Barber‐Biesecker/Young‐Simpson (SBBYS) type of blepharophimosis‐“mental retardation” syndromes and the more severe genitopatellar syndrome. The SBBYS syndrome‐causing mutations are clustered in the large exon 18 of KAT6B and almost exclusively lead to predicted protein truncation. An atypical KAT6B mutation, a de novo synonymous variant located in exon 16 (c.3147G>A, p.(Pro1049Pro)) was previously identified in three unrelated patients. This exonic mutation was predicted in silico to cause protein truncation through aberrant splicing. Here, we report three additional unrelated children with typical SBBYS syndrome and the KAT6B c.3147G>A mutation. We show on RNA derived from patient blood that the mutation indeed induces aberrant splicing through the use of a cryptic exonic splice acceptor site created by the sequence variant. Our results thus identify the synonymous variant c.3147G>A as a splice site mutation and a mutational hot spot in SBBYS syndrome. © 2015 Wiley Periodicals, Inc.
Asthma risk factors
Authors: Toskala Elina , Kennedy David W.
Published: September 2015

Background

Bronchial asthma is one of the most common chronic diseases in childhood, with a current prevalence of 6% to 9%, but a prevalence that is increasing at an alarming rate. Asthma is a complex genetic disorder with strong environmental influence. It imposes a growing burden on our society in terms of morbidity, quality of life, and healthcare costs. Despite large‐scale efforts, only a few asthma genes have been confirmed, suggesting that the genetic underpinning of asthma is highly complex.

Methods

A review of the literature was performed regarding atopic and nonatopic asthma risk factors, including environmental risk factors and genetic studies in adults and children.

Results

Several environmental risk factors have been identified to increase the risk of developing asthma such as exposure to air pollution and tobaccos smoke as well as occupational risk factors. In addition atopy, stress, and obesity all can increases the risk for asthma in genetically susceptible persons.

Conclusion

Asthma represents a dysfunctional interaction with our genes and the environment to which they are exposed, especially in fetal and early infant life. The increasing prevalence of asthma in all age groups indicate that our living environment and immunity are in imbalance with each other reacting with airway inflammation to the environmental exposures and often non‐harmful proteins, such as allergens causing the current “asthma and allergy epidemic.” Because of the close relationship between asthma and chronic rhinosinusitis, it is important that otolaryngologists have a good understanding of asthma, the etiologic factors associated with disease, and its evaluation and management.
Metalloenzymartige Zeolithe als Lewis‐Säure‐Katalysatoren für die C‐C‐Bindungsbildung
Authors: Van de Vyver Stijn , Román‐Leshkov Yuriy
Published: September 2015

In den letzten Jahren wurde der Verwendung von metalloenzymartigen Zeolithen als Lewis‐Säure‐Katalysatoren für C‐C‐Kupplungen zunehmende Aufmerksamkeit geschenkt. Insbesondere die Beobachtung, dass hydrophobe Zeolithe mit isolierten Metallzentren im Gerüst direkte Aldolkondensationen ermöglichen, hat die Entwicklung von Katalyseverfahren für die Herstellung von Chemikalien ausgehend von aus Biomasse stammenden Verbindungen angestoßen. Die Entdeckung von neuen Diels‐Alder‐Cycloadditions‐/Dehydratisierungswegen sowie experimentelle und rechnerische Untersuchungen von Lewis‐Säure‐katalysierten Carbonyl‐En‐Reaktionen haben die Entwicklung dieses schnell wachsenden Forschungsgebietes weiter vorangetrieben.
Asperchalasine A, a Cytochalasan Dimer with an Unprecedented Decacyclic Ring System, from Aspergillus flavipes
Authors: Zhu Hucheng , Chen Chunmei , Xue Yongbo , Tong Qingyi , Li Xiao‐Nian , Chen Xintao , Wang Jianping , Yao Guangmin , Luo Zengwei , Zhang Yonghui
Published: September 2015

Asperchalasine A (1), the first cytochalasan dimer featuring a unique decacyclic 5/6/11/5/5/6/5/11/6/5 ring system consisting of 20 chiral centers, was isolated from the culture broth of Aspergillus flavipes. Three biogenetically related intermediates, asperchalasines B–D (2–4), were also isolated. Their structures, including their absolute configurations, were elucidated using a combination of HRESIMS, NMR, ECD, molecular modeling, and single‐crystal X‐ray diffraction techniques. Compound 1, which possesses an unprecedented 13‐oxatetracyclo[7.2.1.12,5.01,6]tridec‐8,12‐dione core structure, is the first example of a dimeric cytochalasan alkaloid. The biogenetic pathways of 1–4 were described starting from the co‐isolated compounds 5 and 6. More importantly, 1 induced significant G1‐phase cell cycle arrest by selectively inhibiting cyclin A, CDK2 and CDK6 in cancerous, but not normal, cells, highlighting it as a potentially selective cell cycle regulator against cancer cells.
Metalloenzyme‐Like Zeolites as Lewis Acid Catalysts for CC Bond Formation
Authors: Van de Vyver Stijn , Román‐Leshkov Yuriy
Published: September 2015

The use of metalloenzyme‐like zeolites as Lewis acid catalysts for CC bond formation reactions has received increasing attention over the past few years. In particular, the observation of direct aldol condensation reactions enabled by hydrophobic zeolites with isolated framework metal sites has encouraged the development of catalytic approaches for producing chemicals from biomass‐derived compounds. The discovery of new Diels–Alder cycloaddition/dehydration routes and experimental and computational studies of Lewis acid catalyzed carbonyl–ene reactions have given a further boost to this rapidly evolving field.
Enhancing pentose phosphate pathway in Corynebacterium glutamicum to improve l‐isoleucine production
Authors: Ma Wenjian , Wang Jianli , Li Ye , Hu Xiaoqing , Shi Feng , Wang Xiaoyuan
Published: September 2015

Three genes, gnd, pgl, and fbp, relevant to the pentose phosphate pathway (PPP) were overexpressed in Corynebacterium glutamicum IWJ001, leading to increase of l‐isoleucine production. The transcriptional levels of gnd, pgl, and fbp significantly increased in IWJ001/pDXW‐8‐gnd‐fbp‐pgl. Compared with the control strain IWJ001/pDXW‐8, intracellular NADPH/NADP+ ratios in IWJ001/pDXW‐8‐gnd and IWJ001/pDXW‐8‐gnd‐fbp cells grown for 36 H increased threefold and fourfold, respectively, indicating that overexpression of gnd and fbp redirected the carbon flux to PPP. Intracellular NADPH/NADP+ ratio in IWJ001/pDXW‐8‐gnd‐fbp‐pgl grown for 36 H was similar to IWJ001/pDXW‐8, suggesting that the NADPH produced by PPP could be quickly consumed for l‐isoleucine production. 10.9 and 28.96 g/L of l‐isoleucine was produced in IWJ001/pDXW‐8‐gnd‐fbp‐pgl in shake flask cultivation and fed‐batch fermentation, respectively. In addition, IWJ001/pDXW‐8‐gnd‐fbp‐pgl grew fast, its dry cell weight reached 49 g/L after 48 H, whereas the start strain IWJ001/pDXW‐8 reached only 40 g/L. After 96 H fermentation, l‐isoleucine yield on glucose in IWJ001/pDXW‐8‐gnd‐fbp‐pgl reached 0.138 g/g. The results demonstrate that carbon flux redirection to PPP is an efficient approach to enhance l‐isoleucine production in C. glutamicum.
Early definite stent thrombosis with everolimus‐eluting stents
Authors: Naito Ryo , Miyauchi Katsumi , Konishi Hirokazu , Tsuboi Shuta , Okazaki Shinya , Daida Hiroyuki
Published: September 2015

Key Clinical Message

Stent thrombosis (ST) is a serious complication of percutaneous coronary intervention. Several factors are associated with ST, and combination of these factors increase the risk, even in everolimus‐eluting stents, which have low risk of ST. We experienced a case of ST caused by limited coronary flow and resistance to antiplatelet agent.
Bubble Mobilization Pressure in a Small‐Diameter Tube
Authors: Uchiyama Hiroki , Kariyasaki Akira , Kagawa Masazumi , Yamasaki Yoshikazu , Matsukuma Yosuke , Morooka Shigeharu
Published: September 2015

The mobilization pressure was measured for a train of bubbles in a capillary tube when the liquid film forming between the bubble surface and the inner surface of the duct does (Case B) and does not cover the bubble surface (Case A). In Case A, the measured bubble mobilization pressure mostly agreed with the estimated capillary pressure for different numbers of bubbles in the duct. In Case B, the bubble mobilization pressure was lower, with a larger scatter than in Case A. Increasing the number of bubbles caused the mobilization pressure to converge to the Case B results. Factors that affect the mobilization pressure were considered.
ChemInform Abstract: Titanium Migration Driven by Li Vacancies in Li1‐xTi2O4 Spinel.
Authors: Kitada A. , Arevalo‐Lopez A. M. , Attfield J. P.
Published: September 2015

Gentle oxidation of LiTi2O4 with H2O at 25 °C results in Li‐deficient Li1‐xTi2O4 (x = 0.67) without decomposition to other Ti oxides.
ChemInform Abstract: Synthesis and Up‐Conversion Luminescence of Yb3+/Er3+/Tm3+ Doped Ca9Y(PO4)7.
Authors: Du Shanshan , Wang Deyin , Wang Yuhua , Xin Shuangyu , Qiang QinPing , Ma Xinlong
Published: September 2015

Yb3+/Er3+, Yb3+/Tm3+, or Yb3+/Er3+/Tm3+ (25, 1, and 0.5 mol%, resp.) co‐doped Ca9Y(PO4)7 are prepared by hydrothermal reaction of a stoichiometric solution of CaCO3, Y2O3, and lanthanide oxides in HNO3 to which (NH4)2HPO4 is added at a controlled pH of 8 (autoclave, 200 °C, 10 h) followed by annealing in air (850 °C, 2 h).
ChemInform Abstract: Electronic Structure of Superconducting Ta4Pd3Te16.
Authors: Lee Wang‐Ro , Cho Sung‐Woo , Nam Dae‐Hyun , Jung Dongwoon
Published: September 2015

The electronic structure of Ta4Pd3Te16 is analyzed by tight‐binding band calculations based on the extended Hueckel method.
ChemInform Abstract: Crystal and Electronic Structure of Y5Al3C4.
Authors: Kotyrba Martin R. , Cuervo‐Reyes Eduardo , Nesper Reinhard
Published: September 2015

A black metallic single crystal of the title compound is synthesized from the elements using lithium metal as a flux (Nb ampule, 1250 °C, 72 h).
ChemInform Abstract: Synthetic Progress Toward Azadirachtins. Part 2. Enantio‐ and Diastereoselective Synthesis of the Right‐Wing Fragment of 11‐epi‐Azadirachtin I.
Authors: Tan Ceheng , Chen Wei , Mu Xinpeng , Chen Qi , Gong Jianxian , Luo Tuoping , Yang Zhen
Published: September 2015

The reaction of silyl glyoxylate (I) with allylzinc bromide and β‐lactone (III) leads to benzoate (IV), which is used for the multistep preparation of the furopyran moiety (XII) of azadirachtins.
ChemInform Abstract: Enantioselective α‐Amination of 1,3‐Dicarbonyl Compounds in Batch and Flow with Immobilized Thiourea Organocatalysts.
Authors: Kasaplar Pinar , Ozkal Erhan , Rodriguez‐Escrich Carles , Pericas Miquel A.
Published: September 2015

The polymer‐supported bifunctional thiourea organocatalyst PSTU is not irreversibly deactivated by the azodicarboxylates (II) used.
ChemInform Abstract: Catalytic Enantioselective Intramolecular Aza‐Diels—Alder Reactions.
Authors: Min Chang , Lin Chih‐Tsung , Seidel Daniel
Published: September 2015

Highly annulated heterocycles are obtained via intramolecular Povarov reaction promoted by a readily available chiral Broensted acid catalyst.
ChemInform Abstract: Intramolecular Insertions into Unactivated C(sp3)—H Bonds by Oxidatively Generated β‐Diketone‐α‐Gold Carbenes: Synthesis of Cyclopentanones.
Authors: Wang Youliang , Zheng Zhitong , Zhang Liming
Published: September 2015

For the first time, oxidatively generated β‐diketone‐α‐gold carbenes are intramolecularly inserted into unactivated C(sp3)—H bonds using ynones as substrates.
ChemInform Abstract: Broadening the Chemical Scope of Laccases: Selective Deprotection of N‐Benzyl Groups.
Authors: Martinez‐Montero Lia , Diaz‐Rodriguez Alba , Gotor Vicente , Gotor‐Fernandez Vicente , Lavandera Ivan
Published: September 2015

Laccase from Trametes versicolor along with TEMPO is found to be a very efficient catalytic system for the deprotection of N‐benzylated primary amines using oxygen as a mild oxidant in aqueous medium.
ChemInform Abstract: A New Approach to Nitrones Through Cascade Reaction of Nitro Compounds Enabled by Visible Light Photoredox Catalysis.
Authors: Lin Cheng‐Wei , Hong Bor‐Cherng , Chang Wan‐Chen , Lee Gene‐Hsiang
Published: September 2015

A series of nitrones (III) is readily prepared by a photocatalytic reaction of nitro compounds (I) with aldehydes (II) in the presence of iBu‐N(iPr)2 as base.
ChemInform Abstract: Bidirectional Approach to Symmetrical Spiro‐1,3‐bisketone via Grignard Reaction and Two Fold Ring‐Closing Metathesis as Key Steps.
Authors: Kotha Sambasivarao , Ali Rashid , Dipak Mirtunjay Kumar
Published: September 2015

Symmetrical spiro‐1,3‐bisketone (IV) is synthesized by ring‐closure metathesis reaction of tetraene (I) obtained by Grignard reaction of a dialkenyl compound and allylmagnesium bromide.
ChemInform Abstract: Eco‐Friendly Synthesis of Amides and Their Microbial Activity.
Authors: Bansal T. , Sharma S. , Gaba J. , Behal R.
Published: September 2015

A new method for the synthesis of alkenyl amides from acrylic acids (I) and amines is reported.
ChemInform Abstract: Pinacolatoboron Fluoride (pinBF) is an Efficient Fluoride Transfer Agent for Diastereoselective Synthesis of Benzylic Fluorides.
Authors: Cresswell Alexander J. , Davies Stephen G. , Figuccia Aude L. A. , Fletcher Ai M. , Heijnen Dorus , Lee James A. , Morris Melloney J. , Kennett Alice M. R. , Roberts Paul M. , Thomson James E.
Published: September 2015

Pinacolatoboron fluoride, generated in situ from bis(O‐trimethylsilyl)pinacol and BF3·OEt2 is an efficient fluoride transfer reagent for epoxide ring‐opening.
ChemInform Abstract: Copper‐Catalyzed Aerobic Oxidative C—C Bond Cleavage of Unstrained Ketones with Air and Amines.
Authors: Zhou Wang , Fan Wenyou , Jiang Qijian , Liang Yu‐Feng , Jiao Ning
Published: September 2015

Amide and oxoamides are easily synthesized from the title reaction of both simple and cyclic ketones.
ChemInform Abstract: Step Economical Synthesis of O‐Aryl Benzamides via C—H Activation Relayed by the in situ Installation of Directing Group: A Multicomponent Method.
Authors: Liu Yunyun , Zhang Yi , Huang Meiying , Wan Jie‐Ping
Published: September 2015

A concise multicomponent one‐step method for the synthesis of 2,6‐biarylated (IV),(VI) or 6‐arylated benzamides (VIII) starting from 8‐aminoquinoline, benzoyl chlorides, and various iodobenzenes is established.
ChemInform Abstract: Palladium‐Catalyzed Aminocarbonylation of N‐Chloroamines with Boronic Acids.
Authors: Li Wanfang , Wu Xiao‐Feng
Published: September 2015

The catalyst is recyclable but a drop of yield has been observed.
ChemInform Abstract: Stereoselective Preparation of Polyfunctional Alkenylindium(III) Halides and Their Cross‐Coupling with Unsaturated Halides.
Authors: Shen Zhi‐Liang , Knochel Paul
Published: September 2015

The stereoselective synthesis of cyclic and acyclic (E)‐ or (Z)‐alkenylindium halides is described.
ChemInform Abstract: Eco‐Friendly Approach to Tetrasubstituted Diazodihydrofuranones: Valuable Precursors of Oxetane Derivatives and Other Heterocyclic Compounds.
Authors: Galkina Olesia S. , Maas Gerhard , Rodina Liudmila L. , Nikolaev Valerij A.
Published: September 2015

The developed reaction sequence provides 2,2,5,5‐tetraalkyl, 2,2,5,5‐tetraaryl as well as regioisomeric 2,2‐diaryl‐5,5‐dimethyl and 2,2‐dimethyl‐5,5‐diaryldiazofuranones.
ChemInform Abstract: Enantioselective Synthesis of Tertiary α‐Chloro Esters by Non‐covalent Catalysis.
Authors: Liu Richard Y. , Wasa Masayuki , Jacobsen Eric N.
Published: September 2015

The enantioselective α‐chlorination of silyl ketene acetals with NCS is achieved in the presence of the chiral squaramide catalyst.
ChemInform Abstract: Zinc and Trimethylsilyl Chloride Mediated Synthesis of 2,3,5‐Trisubstituted Pyrrole Diesters from Nitriles and Ethyl Bromoacetate.
Authors: Rao H. Surya Prakash , Desai Avinash
Published: September 2015

An efficient synthesis of pyrrole diesters from readily available aromatic, benzylic, and aliphatic nitriles with ethyl bromoacetate takes place if the amount of the catalyst is 50 mol%.
ChemInform Abstract: [3 + 2] Cycloaddition of Arynes with CF3CHN2: Access to 3‐Trifluoromethyl‐1H‐indazoles.
Authors: Sun Long , Nie Jing , Zheng Yan , Ma Jun‐An
Published: September 2015

A general and practical methodology for the formation of 3‐trifluoromethylindazoles under mild reaction conditions is developed.
ChemInform Abstract: One‐Pot Synthesis of Highly Functionalized Benzimidazolylisophthalates and (2E)‐2‐Ethylidene‐(1H)‐pyridinecarboxylates by Ultrasound‐Promoted Multicomponent Reactions.
Authors: Eleftheriadis Nicolaos , Kasapidou Paraskevi M. , Stephanidou‐Stephanatou Julia , Tsoleridis Constantinos A. , Hadjipavlou‐Litina Dimitra J. , Kontogiorgis Christos , Pritsa Agathi , Papadopoulos Athanasios
Published: September 2015

Starting from 3‐formylchromones, acetonedicarboxylates and 2‐aminobenzimidazole or aryl amines an efficient one‐step method to new hydroxyaroylbenzimidazole or hydroxyaroylpyridinecarboxylate derivatives, respectively, is described.
ChemInform Abstract: Synthesis and Anticancer Activities of Thiazoles, 1,3‐Thiazines, and Thiazolidine Using Chitosan‐Grafted‐Poly(vinylpyridine) as Basic Catalyst.
Authors: Riyadh Sayed M. , Gomha Sobhi M. , Mahmmoud Elmahdi A. , Elaasser Mahmoud M.
Published: September 2015

A series of thiazoles (III) and (V), 1,3‐thiazines (IX), and thiazolidine (VII) is prepared in the presence of an environmentally friendly basic chitosan‐grafted‐poly(vinylpyridine) catalyst.
ChemInform Abstract: Selective Pyrone Functionalization: Reductive Alkylation of Triacetic Acid Lactone.
Authors: Kraus George A. , Basemann Kevin , Guney Tezcan
Published: September 2015

The reductive alkylation of triacetic acid lactone with aldehydes allows the synthesis of 3‐alkylated derivatives including naturally accruing compound (VI).
ChemInform Abstract: Formation of Fused Aromatic Architectures via an Oxidative Dearomatization—Radical Cyclization Rearomatization Approach.
Authors: Vitaku Edon , Njardarson Jon T.
Published: September 2015

Chromane and dihydrobenzofurane products are prepared from catechol derivatives via initial dearomatization followed by low temperature radical cyclization.
ChemInform Abstract: One‐Pot Synthesis of a Natural Product Inspired Pyrrolocoumarine Compound Collection by Means of an Intramolecular 1,3‐Dipolar Cycloaddition as Key Step.
Authors: Vidadala Srinivasa Rao , Waldmann Herbert
Published: September 2015

This convenient one‐pot synthesis includes N‐deprotection of substrate (I) and (IV) followed by azomethine ylide formation with an aldehyde, intramolecular 1,3‐dipolar cycloaddition, and final oxidative aromatization.
ChemInform Abstract: PMA‐SiO2 Catalyzed Synthesis of Indolo[2,3‐c]quinolines as Potent Anticancer Agents.
Authors: Srihari P. , Padmabhavani B. , Ramesh S. , Bharath Kumar Y. , Singh Ashita , Ummanni R.
Published: September 2015

Some of the title compounds (III), synthesized via a Pictet—Spengler reaction, are found to be cytotoxic against prostate, lung, breast, and cervical cancer cell lines.
ChemInform Abstract: N‐Heterocyclic Carbene‐Catalyzed [2 + 3] Cyclocondensation of α‐Chloroaldehydes with Azomethine Imines.
Authors: Gao Zhong‐Hua , Chen Xiang‐Yu , Cheng Jin‐Tang , Liao Wei‐Lin , Ye Song
Published: September 2015

Title reaction provides corresponding 3‐aroyl‐1‐alkyl/aryltetrahydropyrazolo[5,1‐a]isoquinolin‐2‐ones (III) and (V) in good to high yields, moderate dia‐ and excellent enantioselectivities.
ChemInform Abstract: A Highly‐Efficient Palladium‐Catalyzed Aminocarbonylation/SNAr Approach to Dibenzoxazepinones.
Authors: Shen Chaoren , Neumann Helfried , Wu Xiao‐Feng
Published: September 2015

Various 2‐aminophenols and 2‐bromofluorobenzenes are used as substrates for the convenient one‐pot synthesis of a wide range of dibenzoxazepinones by a palladium‐catalyzed aminocarbonylation/aromatic nucleophilic substitution sequence.
ChemInform Abstract: Facile Net Cycloaddition Approach to Optically Active 1,5‐Benzothiazepines.
Authors: Fukata Yukihiro , Asano Keisuke , Matsubara Seijiro
Published: September 2015

The first example of a highly enantio‐ and regioselective net [4 + 3] cycloaddition approach towards 1,5‐benzothiazepines is presented.
ChemInform Abstract: Late‐Stage Functionalization of 1,2‐Dihydro‐1,2‐azaborines via Regioselective Iridium‐Catalyzed C—H Borylation: The Development of a New N,N‐Bidentate Ligand Scaffold.
Authors: Baggett Andrew W. , Vasiliu Monica , Li Bo , Dixon David A. , Liu Shih‐Yuan
Published: September 2015

For the first time, an Ir‐catalyzed regioselective C—H borylation of monocyclic 1,2‐azaborines is described.
ChemInform Abstract: Speradines B—D, Oxygenated Cyclopiazonic Acid Alkaloids from the Sponge‐Derived Fungus Aspergillus flavus MXH‐X104.
Authors: Ma Xinhua , Peng Jixing , Wu Guangwei , Zhu Tianjiao , Li Guoqiang , Gu Qianqun , Li Dehai
Published: September 2015

isolation, structure elucidation and bioassay screening
ChemInform Abstract: Cations and Dications of Heavier Group 14 Elements in Low Oxidation States
Authors: Swamy V. S. V. S. N. , Pal Shiv , Khan Shabana , Sen Sakya S.
Published: September 2015

Review: 146 refs.
ChemInform Abstract: Theoretical and Computational Study of a Complex System Consisting of Transition Metal Element(s): How to Understand and Predict Its Geometry, Bonding Nature, Molecular Property, and Reaction Behavior
Authors: Sakaki Shigeyoshi
Published: September 2015

Review: [160 refs.
ChemInform Abstract: Manipulating Simple Reactive Chemical Units: Fishing for Alkaloids from Complex Mixtures
Authors: Poupon Erwan , Gravel Edmond
Published: September 2015

Review: [26 refs.
ChemInform Abstract: Perfluoroalkylation Reactions of (Hetero)arenes
Authors: Barata‐Vallejo Sebastian , Bonesi Sergio M. , Postigo Al
Published: September 2015

Review: [87 refs.
ChemInform Abstract: Synthesis of Substituted Tetrahydrofurans
Authors: Rainier Jon D.
Published: September 2015

Review: 88 refs.
ChemInform Abstract: Biocatalysis for Desymmetrization and Resolution of Stereocenters Beyond the Reactive Center: How Far Is Far Enough?
Authors: Cunha Rodrigo L. O. R. , Ferreira Edgard A. , Oliveira Camila S. , Omori Alvaro T.
Published: September 2015

Review: 35 refs.
ChemInform Abstract: Spatio‐Temporal Resolution of Primary Processes of Photosynthesis
Authors: Junge Wolfgang
Published: September 2015

Review: 121 refs.
ChemInform Abstract: On the Emergence of RNA
Authors: Krishnamurthy Ramanarayanan
Published: September 2015

Review: [64 refs.
ChemInform Abstract: Was a Pyrimidine‐Pyrimidine Base Pair the Ancestor of Watson‐Crick Base Pairs? Insights from a Systematic Approach to the Origin of RNA
Authors: Cafferty Brian J. , Hud Nicholas V.
Published: September 2015

Review: [69 refs.
HPV infection and p16 promoter methylation as predictors of ASC‐US/LSIL progression
Authors: Lee Hee , Lee Eun‐Ju
Published: September 2015

BACKGROUND

Although patients found to have atypical squamous cells of undetermined significance (ASC‐US) and low‐grade squamous intraepithelial lesions (LSILs) on Papanicolaou (Pap) testing are treated conservatively, 5.2% to 18.8% of them progress to high‐grade squamous intraepithelial lesions (HSILs). The objective of the current study was to identify predictors of progression to HSIL and determine what percentage of ASC‐US/LSIL cases harbor cervical intraepithelial neoplasia of grade 2 or higher.

METHODS

The current study included 381 consecutive cases with ASC‐US/LSIL. After the exclusion of 87 cases because of a history of dysplasia or loss to follow‐up, 165 cases with follow‐up cytology were used to analyze predictive factors of progression to HSIL, and 129 cases that underwent immediate tissue biopsy were subjected to correlation analysis between cytology and histology. Disease regression was defined as a reversion to normal or benign cellular changes, disease persistence as maintenance at ASC‐US/LSIL, and disease progression as progression to HSIL. Data regarding clinical parameters were obtained from medical records. Methylation‐specific polymerase chain reaction was performed using cytology samples to evaluate methylation of the p16 promoter.

RESULTS

Of 165 cases, 131 (79.4%) regressed, 23 (13.9%) were persistent, and 11 cases (6.7%) progressed. Human papillomavirus infection was more common in women with disease progression than in those with disease regression or persistence (P = .033). Promoter methylation of p16 in the cytology sample was more common in cases that progressed (5 of 6 cases) than in cases that regressed (0 of 8 cases). Twenty‐three of 129 cases (17.8%) were found to harbor cervical intraepithelial neoplasia of grade 2 or higher on immediate tissue biopsy.

CONCLUSIONS

Human papillomavirus infection and p16 promoter methylation might be valuable surrogate markers of disease progression from ASC‐US/LSIL to HSIL. Cancer (Cancer Cytopathol) 2016;124:58–65. © 2015 American Cancer Society.
Amorphous Aggregation of Amyloid Beta 1‐40 Peptide in Confined Space
Authors: Foschi Giulia , Albonetti Cristiano , Liscio Fabiola , Milita Silvia , Greco Pierpaolo , Biscarini Fabio
Published: September 2015

The amorphous aggregation of Aβ1‐40 peptide is addressed by using micromolding in capillaries. Both the morphology and the size of the aggregates are modulated by changing the contact angle of the sub‐micrometric channel walls. Upon decreasing the hydrophilicity of the channels, the aggregates change their morphology from small aligned drops to discontinuous lines, thereby keeping their amorphous structure. Aβ1‐40 fibrils are observed at high contact angles.
Vocal matching and intensity of begging calls are associated with a forebrain song circuit in a generalist brood parasite
Authors: Liu Wan‐Chun , Rivers James W. , White David J.
Published: September 2015

Vocalizations produced by developing young early in life have simple acoustic features and are thought to be innate. Complex forms of early vocal learning are less likely to evolve in young altricial songbirds because the forebrain vocal‐learning circuit is underdeveloped during the period when early vocalizations are produced. However, selective pressure experienced in early postnatal life may lead to early vocal learning that is likely controlled by a simpler brain circuit. We found the food begging calls produced by fledglings of the brown‐headed cowbird (Molothrus ater), a generalist avian brood parasite, induced the expression of several immediate early genes and early circuit innervation in a forebrain vocal‐motor pathway that is later used for vocal imitation. The forebrain neural activity was correlated with vocal intensity and variability of begging calls that appears to allow cowbirds to vocally match host nestmates. The begging‐induced forebrain circuits we observed in fledgling cowbirds were not detected in nonparasitic passerines, including species that are close relatives to the cowbird. The involvement of forebrain vocal circuits during fledgling begging and its association with vocal learning plasticity may be an adaptation that provides young generalist brood parasites with a flexible signaling strategy to procure food from a wide range of heterospecific host parents. © 2015 Wiley Periodicals, Inc. Develop Neurobiol 76: 615–625, 2016
Growth differentiation factor 15 (GDF‐15) in patients admitted for acute heart failure: results from the RELAX‐AHF study
Authors: Cotter Gad , Voors Adriaan A. , Prescott Margaret F. , Felker G. Michael , Filippatos Gerasimos , Greenberg Barry H. , Pang Peter S. , Ponikowski Piotr , Milo Olga , Hua Tsushung A. , Qian Min , Severin Thomas M. , Teerlink John R. , Metra Marco , Davison Beth A.
Published: September 2015

Background

Growth differentiation factor 15 (GDF‐15) was found to be upregulated in patients with chronic heart failure (HF) and associated with disease severity, however, data on patients with acute heart failure (AHF) is lacking.

Methods and results

Levels of GDF‐15 were measured at pre‐specified time‐points (baseline and at days 2, 5, 14, and 60) in patients enrolled in the placebo‐controlled RELAXin in Acute Heart Failure (RELAX‐AHF) study, which examined the effect of serelaxin in 1161 patients with AHF, systolic blood pressure >125 mmHg, and mild to moderate renal impairment. Neither baseline nor changes in GDF‐15 were associated with the degree of dyspnoea or dyspnoea relief. After adjustment for baseline characteristics, baseline GDF‐15 was not associated with the composite endpoint of heart failure or renal failure (HF/RF) readmission at 60 days/cardiovascular (CV) death or CV death at 180 days. In contrast, larger increases in GDF‐15 levels at days 2 and 14 were associated with a greater risk of 60‐day HF/RF rehospitalizations/CV death and CV death at 180 days. Serelaxin treatment was associated with significantly larger decreases of GDF‐15 at days 2 and 5 than placebo.

Conclusions

In AHF patients enrolled in the RELAX‐AHF study, increases in GDF‐15 levels, but not baseline measurements, were associated with a greater likelihood of adverse outcomes. Serelaxin administration was associated with greater decreases in GDF‐15 compared with placebo.
Self‐Assembly Growth and Photocatalytic Performance of Nanostructured Copper Compounds
Authors: Jiang Tingting , Wang Yongqian , Meng Dawei , Kong Junhan , Jia Hanxiang , Wang Zhengshu
Published: September 2015

Flowerlike CuO structures were synthesized by a simple chemical method. These 3D structures are formed by self‐assembly growth of smaller nanosheets as basic building units. Their crystalline phase, morphology, and optical properties were characterized by XRD, field‐emission SEM, and UV/Vis absorption spectroscopy. The effect of annealing on the morphology and properties of nanostructured Cu(OH)2/CuO was also investigated. The obtained CuO nanosheets with highly energetic (111) facets have excellent capacity for absorbing visible light, and their band‐gap energies, which were evaluated from the UV/Vis spectrum, range from 1.33 to 1.70 eV. Hence, their photocatalytic performance in the degradation of methyl blue (MB) was evaluated, and the highest photocatalytic degree of degradation of MB was 93.3 %. Further, the growth mechanism of the transformation from Cu(OH)2 nanowires (or nanoscrolls) to 3D CuO structures is discussed.
Hydroformylation of vegetable oils: More than 50 years of technical innovation, successful research, and development
Authors: Vanbésien Théodore , Monflier Eric , Hapiot Frédéric
Published: September 2015

To address key sustainability challenges, it is now necessary to develop eco‐friendly alternatives to the use of petroleum resources. As such, the valorization of vegetable oils into added‐value products has become of major interest. While most of the reactions dealing with oils are related to their ester function, reactions have been developed to functionalize their CC double bonds. For example, the catalytic hydroformylation of vegetable fatty compounds enables the conversion of their CC double bonds into aldehydes. The reaction is atom‐economic and can be implemented under homogeneous, heterogeneous, or biphasic conditions. The catalytic hydroformylation of unsaturated fatty compounds has recently experienced a revival. The aim of the present article is to summarize current knowledge on the topic. The main salient results obtained since the 1960s are discussed and compared.

More than 50 years of technical innovation, successful research, and development in triglycerides and FAME hydroformylation are summarized in this review article.
Epoxy fatty acids in used frying fats and oils, edible oils and chocolate and their formation in oils during heating
Authors: Brühl Ludger , Weisshaar Rüdiger , Matthäus Bertrand
Published: September 2015

The occurrence of monoepoxy fatty acids in used frying oils and in other common foods has been determined. Monoepoxy fatty acids with trans‐9,10‐ and cis‐9,10‐epoxystearate and trans‐12,13‐, trans‐9,10‐, cis‐12,13‐ and cis‐ 9,10‐epoxyoctadecenoate were found at average levels of 3.7 g/kg in used frying fats and oils, but also at about 2 g/kg in the fat fraction of chocolate. They were also detected in pumpkin seed, sweet almond, groundnut, sunflower, and olive oils at average levels of 3.4, 1.7, 1.4, 1.0, and 0.2 g/kg, respectively. Their formation during heating at 175°C was observed for sunflower, rapeseed, soybean, and linseed oil and compared with the increase of polar compounds and polymerized triacylglycerols as other important quality indicators for frying oils. During heating for 16 h, the level of monoepoxy fatty acids increased to about 30, 18, 8, and 4 g/kg for olive, sunflower, linseed, and rapeseed oils, respectively. The influence of the heating temperature was surveyed for refined soybean oil at 160, 170, 180, and 200°C. Heating of two sets of five different refined and virgin rapeseed oils revealed a significant lower formation of monoepoxy fatty acids for refined oils at a median level of 4.6 g/kg compared to7.7 g/kg for virgin oils.

Practical applications: Determination of fatty acid methyl esters is one of the most common analyses for the evaluation of oils and fats. The assessment of the monoepoxy fatty acids as part of these analyses can provide a first indication about used frying fats and oils, which reached the end of their applicability. The formation of monoepoxy fatty acids is affected by the fatty acid composition of the oil, the heating temperature, and the production of the oil. Therefore, frying oils may contain varying amounts of monoepoxy fatty acids at the maximum limit for polar compounds and polymerized triacylglycerols as used in the official food control. However, all used frying oils investigated by the official food control showing more than 7 g/kg of monoepoxy fatty acids had to be rejected due to the limits exceeded for polar compounds and polymerized triacylglycerols. Therefore, this limit of 7 g/kg monoepoxy fatty acids level is proposed as a level for screening the usability of used frying fats and oils.

Epoxy fatty acids are formed in oils and fats during frying and heating. In addition, they are also detectable in unheated foods like chocolate and pumpkin seed oil. Frying fats and oils heated too much show contents of monoepoxy fatty acids above 7 g/kg.
Effective lipophilic antioxidant enzymatically derived from Canadian crabapple
Authors: Aladedunye Felix , Matthäus Bertrand
Published: September 2015

Phloridzyl octadecanoate was prepared by enzymatic reaction between the native phloridzin in Canadian crabapple (Malus baccata) extract and octadecanoic acid in the presence of Candida antarctica lipase. The antioxidant activity of the modified extract was assessed in rapeseed oil during accelerated storage at 65°C and frying at 180°C. Addition of 0.1% modified extract to refined, bleached, and deodorized rapeseed oil significantly improved storage stability with 40.7% decrease in the formation of lipid hydroperoxides at the end of the 7‐day storage compared to rapeseed control sample without extract; however, no significant difference was observed in the potency of the modified extract and that of the native extract. On the contrary, the modified extract offered markedly better protection to the rapeseed substrate during frying, inhibiting polar component formation, and polymerization of triacylglycerol by up to 44%, compared to 26% by the native extract. At the end of the frying, French fries prepared in the presence of modified extract retained significantly more tocopherols than those prepared with the native extract indicating better protection of the oil's endogenous antioxidants by the modified phenolic extract.

Practical applications: Poor lipophilicity is a major challenge to the application of natural polyphenolic compounds in edible oils. Equally challenging is the development of natural antioxidants that can maintain effectiveness under the stringent dynamic conditions of frying. Results from the current study demonstrated the possibility of overcoming these challenges, providing food processors with lipophilic natural antioxidants of practical importance in the frying process.

Improving the lipophilicity of the polyphenolic components of Canadian crabapple's extract resulted in enhanced antioxidant and antipolymerization activities during frying, with consequent decreased in: Total polar materials (TPM); di‐ and polymerized triacylglycerols (DPTG); formation of non‐volatile carbonyl compounds assessed by the anisidine value (AnV); and rate of endogenous tocopherol degradation. However, no change in activity was observed under storage conditions.
Lewis‐Acid‐Catalysed Friedel–Crafts Alk­ylation of Donor–Acceptor Cyclopropanes with Electron‐Rich Benzenes to Generate 1,1‐Diarylalkanes
Authors: Kim Areum , Kim Sung‐Gon
Published: September 2015

A Lewis‐acid‐catalysed Friedel–Crafts alkylation of donor–acceptor cyclopropanes with electron‐rich aromatic compounds is described. The reaction uses Yb(OTf)3 as the catalyst, producing the desired Friedel–Crafts products with a wide range of functional groups and substitution patterns in good yield. This synthetic approach allows the construction of 1,1‐diarylalkane derivatives, which are present in numerous biologically active compounds.
Alumina Polished Glassy Carbon Electrode as a Simple Electrode for Lower Potential Electrochemical Detection of Dopamine in its Sub‐micromolar Level
Authors: Thirumalraj Balamurugan , Palanisamy Selvakumar , Chen Shen‐Ming , Sayee Kannan R.
Published: September 2015

The electrochemical behaviour of dopamine (DA) at a cleaned and alumina polished glassy carbon electrode (GCE) was studied using cyclic voltammetry (CV). The CV studies revealed that alumina polished GCE (AGCE) shows an enhanced oxidation peak current response with 217 mV negative potential shift towards DA than that of cleaned GCE. The differential pulse voltammetry result shows that the AGCE detects the DA in the linear concentration ranges from 0.15 to 25.25 µmol L−1. The limit of detection was calculated as 0.046 µmol L−1 with a sensitivity of 3.74 µA µmol L−1 cm−2 for the determination of DA. The fabricated AGCE shows a satisfactory selectivity, practicality along with appreciable repeatability and reproducibility.
Enhanced Biosensing of Bisphenol A Using a Nanointerface Based on Tyrosinase/Reduced Graphene Oxides Functionalized with Ionic Liquid
Authors: Li Rui , Wang Yanying , Deng Yinghua , Liu Guishen , Hou Xiaodong , Huang Yina , Li Chunya
Published: September 2015

Reduced graphene oxide (rGO) nanosheets functionalized with 1,3‐di(4‐amino‐1‐pyridinium) propane tetrafluoroborate ionic liquid (DAPPT) was successfully synthesized and fully characterized. DAPPT‐rGO nanosheets were coated to a glassy carbon electrode (GCE) surface to immobilize tyrosinase (Tyr). The Tyr‐DAPPT‐rGO/GCE was characterized with scanning electronic microscopy and electrochemical impedance spectroscopy. The biosensor shows a linear response to bisphenol A (BPA) in the concentration range of 1.0×10−9∼3.8×10−5 mol L−1. The detection limit was calculated to be 3.5×10−10 mol L−1 (S/N=3). The practical application was demonstrated by determining BPA leaching from commercial plastic drinking bottles.
Ultrasensitive Electrochemical Sensor for Maltol in Wines Using Graphene Oxide‐Wrapped Amino‐Functionalized Carbon Sphere as Sensing Electrode Materials
Authors: Gan Tian , Lv Zhen , Liu Ning , Sun Junyong , Shi Zhaoxia , Zhao Aixia
Published: September 2015

We reported an electrochemical sensor with specificity toward maltol with rapid response and high sensitivity, using graphene oxide (GO)‐wrapped amino‐functionalized carbon sphere (ACS) hybrids as the conductive channel. The results indicated that a well‐organized structure was successfully prepared, based on specific electrostatic attractions between the ACS and the GO nanosheets. Next, a sensitive and selective electrochemical sensor was successfully constructed for the direct detection of maltol by casting a GO‐ACS film onto the surface of a glassy carbon electrode. The oxidative peak current increased linearly with the concentration of maltol in the range of 0.1 µM∼0.8 mM using differential pulse voltammetry, and the detection limit was 24 nM with S/N=3.
Damage of Siloxanes on Ni‐YSZ Anode Supported SOFC Operated on Hydrogen and Bio‐Syngas
Authors: Madi H. , Diethelm S. , Poitel S. , Ludwig C. , Van herle J.
Published: September 2015

This work presents the poisoning effect of organic oxo‐silicon compounds (siloxanes) which are generally found in sewage biogas. Lifetime and durability associated with solid oxide fuel cell (SOFC) technology is strongly related to the amount of contaminants that reach the stack. Several experiments on Ni anode‐supported (AS) single cells are performed in order to clarify the mechanism of degradation and also the possibility of cell performance recovery. Three experiments focus on the degradation and recovery of AS Ni‐YSZ fed with H2, co‐feeding 5 ppm D4‐siloxane (octamethylcyclotetrasiloxane, C8H24O4Si4) as representative compound for the organic silicon species, at 800 °C. A fourth experiment focuses on the durability of the AS Ni‐YSZ cell with variable concentrations of the impurity (0–5 ppm), during steady state polarization (0.25 A cm−2) for 250 h, using simulated biogas‐reformate fuel H2/CO/CO2/H2O: irreversible degradation was observed with the D4‐impurity feed in the anode gas. Post‐test scanning electron microscopy (SEM) results indicate formation of SiO2(s) deposits, which block pores and reduce the TPB length.