bluuebunny/crossref_metadata_2025 huggingface dataset:
Thermal coupling links to liquid‐only transfer streams: An enumeration method for new FTC dividing wall columns
Authors: Ramapriya Gautham Madenoor , Tawarmalani Mohit , Agrawal Rakesh
Published: September 2015

Novel dividing wall columns (DWCs) can be obtained by converting thermal couplings to liquid‐only transfer streams. Here, we develop a simple four‐step method to generate a complete set of DWCs containing n − 2 dividing walls, for a given n‐component fully thermally coupled (FTC) distillation. Among the novel DWCs, some easy‐to‐operate DWCs possess the property that the vapor flow in every section of the DWC can be controlled during operation by means that are external to the column. We develop a simple method to enumerate all such easy‐to‐operate DWCs. We expect that the easy‐to‐operate DWCs can be operated close‐to‐optimality; leading to a successful industrial implementation of the n‐component (n ≥ 3) FTC distillation in the form of a DWC. As an illustration, we show figures of all easy‐to‐operate DWCs with two dividing walls for the four‐component FTC distillation. © 2015 American Institute of Chemical Engineers AIChE J, 62: 1200–1211, 2016
Synthesis of lysozyme imprinted column with macroporous structure and enhanced selectivity: Utilization of cryogelation technique and electrostatic functional monomers
Authors: Kashefi Mofrad Seyed Mohammad Reza , Naeimpoor Fereshteh , Hejazi Parisa , Nematollahzadeh Ali
Published: September 2015

Applicability of molecularly imprinted polymers (MIP) in conventional protein separation processes demands monolithic construction of columns with macroporous structure in addition to the high specificity and adsorption capacity. In this study, therefore, lysozyme (Lyz) imprinted monolithic cryogel columns were synthesized using electrostatic functional monomers (EFMs) to provide strong interactions between template and polymer, leading to specific recognition and capture of Lyz. SEM images and FTIR spectroscopy analysis confirmed the macroporous structure and presence of EFMs in the samples. Adsorption isotherms, heterogeneity, and breakthrough curves as well as selectivity of the molecularly imprinted cryogels (EFMs‐MIC) and non‐imprinted cryogels (EFMs‐NIC) were investigated. Results showed effective imprinting with a maximum adsorption capacity of 211 mg/g and a high imprinting factor (IF) of 4.2 at low Lyz concentrations. A high relative selectivity coefficient of 7.24 was obtained for Lyz over cytochrome c, a competing protein, indicating that the imprinted sites could well distinguish Lyz. Reusability of MICs was also examined, where insignificant changes were observed in the cryogel adsorption/desorption characteristics after four cycles. Therefore, it is suggested to use EFMs and cryogelation in the synthesis of imprinted monolithic cryogels column for application in conventional protein separation processes. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 42880.
Light‐diffusing materials for LED illumination applications: Comparing the effectiveness of two typical light‐diffusing agents
Authors: Ouyang Xing , Li Peibin , Chen Dazhu , Tang Jiaoning
Published: September 2015

Light‐diffusing materials (LDMs) are the primary lampshade materials used for indoor light‐emitting diode (LED) illumination. In this work, two varieties of typical LDMs filled with acrylic or silicone diffusing agents were fabricated via a twin‐screw extruder, and the influences of the particle size, refractive index and light‐diffusing surface area of the light‐diffusing agents on the properties of the LDMs, including their light‐diffusing properties, thermal stability and mechanical properties, were explored in depth. The results indicated that both acrylic and silicone light‐diffusing agents can be dispersed evenly in a polycarbonate (PC) matrix. The light‐diffusing surface area and refractive index are the main factors that influence the diffusing properties of LDMs. Compared with the silicone LDM, the acrylic LDM exhibited higher transmittance but poorer thermal stability and impact strength, making this material suitable for a rapid injection molding process to form half‐sphere covers that combine high haze and transmittance for LED light bulbs. Silicone LDMs exhibit good stability and impact strength, favoring a slow single‐screw extrusion molding process to prepare tubular or panel covers for tubular LED lamps and panel lamps. In this study, a method for producing LDMs with both high transmittance and high haze is reported. © 2015 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 42923.
Neurochemical Features of the Autonomic Neurons Projecting to the Cremaster Muscle of the Boar
Authors: Botti Maddalena , Ragionieri Luisa , Cacchioli Antonio , Gazza Ferdinando , Panu Rino
Published: September 2015

The cremaster muscle (CM) is a striated muscle showing some unusual features for ordinary striated muscles, in fact it receives, besides somatic innervation, a conspicuous autonomic sympathetic innervation. The autonomic neurons associated with the CM of 4 male intact pigs were typified combining the retrograde nontrans‐synaptic fluorescent tracer Fast Blue (FB) and double labeling immunohistochemical methods. We collected the L4 sympathetic trunk ganglion (STG), that our preliminary studies proved to contain the highest number (575.5 ± 152.93; mean ± S.E.M., n = 4) of FB+ sympathetic neurons projecting to CM. About half of the CM projecting neurons of this ganglion were catecholaminergic and showed the colocalization of Tyrosine Hydroxylase (TH) with Neuropeptide Y (NPY), Leu‐Enkephaline (LENK), Vasoactive Intestinal Polypeptide (VIP), Calcitonine Gene Related Peptide (CGRP), Substance P (SP), neuronal Nitric Oxyde Sinthase (n‐NOS), and Vesicular Acetylcholine Transporter (VAChT). The noncatecholaminergic neurons were immunoreactive for all the other markers tested, even if in small percentages. The conspicuous and heterogeneous contribution of the sympathetic autonomic neurons to the muscle innervation is consistent with the hypothesis of a possible origin of the CM fibers by transdifferentiation of the smooth muscle‐like gubernaculum mesenchyma into striated myotubes, suggesting that the cremaster myogenesis is independent from that of the abdominal muscles. Anat Rec, 298:2091–2097, 2015. © 2015 Wiley Periodicals, Inc.
Garcinol downregulates Notch1 signaling via modulating miR‐200c and suppresses oncogenic properties of PANC‐1 cancer stem‐like cells
Authors: Huang Chi‐Cheng , Lin Chien‐Min , Huang Yan‐Jiun , Wei Li , Ting Lei‐Li , Kuo Chia‐Chun , Hsu Cheyu , Chiou Jeng‐Fong , Wu Alexander T. H. , Lee Wei‐Hwa
Published: September 2015

Pancreatic cancer represents one of the most aggressive types of malignancy due to its high resistance toward most clinically available treatments. The presence of pancreatic cancer stem‐like cells (CSCs) has been attributed to the intrinsically high resistance and highly metastatic potential of this disease. Here, we identified and isolated pancreatic CSCs using the side population (SP) method from human pancreatic cancer cell line, PANC‐1. We then compared the SP and non‐SP PANC‐1 cells genetically. PANC‐1 SP cells exhibited CSC properties including enhanced self‐renewal ability, increased metastatic potential, and resistance toward gemcitabine treatment. These cancer stem‐like phenotypes were supported by their enhanced expression of ABCG2, Oct4, and CD44. A traditional plant‐derived antioxidant, garcinol, has been implicated for its anticancer properties. Here, we found that garcinol treatment to PANC‐1 SP cells significantly suppressed the stem‐like properties of PANC‐1 SP cells and metastatic potential by downregulating the expression of Mcl‐1, EZH2, ABCG2, Gli‐1, and Notch1. More importantly, garcinol treatment led to the upregulation of several tumor suppressor microRNAs, and miR‐200c increased by garcinol treatment was found to target and downregulate Notch1. Thus, PANC‐1 SP cells may serve as a model for studying drug‐resistant pancreatic CSCs, and garcinol has the potential as an antagonist against pancreatic CSCs.
Characterization of paliperidone photodegradation products by LC‐Q‐TOF multistage mass spectrometry
Authors: Skibiński Robert , Komsta Łukasz , Inglot Tadeusz
Published: September 2015

The photodegradation of paliperidone in aqueous and methanol media under UVA and UVC irradiation was investigated. The identification and structural elucidation of its photodegradation products were performed by the use of the reversed‐phase liquid chromatography coupled with accurate mass hybrid Q‐TOF mass spectrometry and an atmospheric pressure chemical ionization source. Five degradation products were found and their masses were obtained with high accuracy (1.10–5.26 ppm) based on the TOF (MS) spectra. For the structural elucidation of unknown degradation products MS/MS spectra were also registered. However, for the identification of the main photodegradation product (3‐{2‐[4‐(6‐fluoro‐1,3‐benzoxazol‐2‐yl)piperidin‐1‐yl]ethyl}‐9‐hydroxy‐2‐methyl‐6,7,8,9‐tetrahydro‐4H‐pyrido[1,2‐a]pyrimidin‐4‐one) in‐source fragmentation connected with collision‐induced dissociation was used and MS3 spectra were finally performed. The photodegradation of paliperidone yields the first‐order kinetics in all tested conditions. The aqueous medium was in this case much less stable than the methanol solvent regardless of the irradiation source. Additionally, the toxicity of the analyzed photodegradation products was predicted by the use of ECOSAR software and comparable values of LC50 for the main degradants and the parent compound were obtained. Copyright © 2015 John Wiley & Sons, Ltd.
Accelerating sample preparation through enzyme‐assisted microfiltration of Salmonella in chicken extract
Authors: Vibbert Hunter B. , Ku Seockmo , Li Xuan , Liu Xingya , Ximenes Eduardo , Kreke Thomas , Ladisch Michael R. , Deering Amanda J. , Gehring Andrew G.
Published: September 2015

Microfiltration of chicken extracts has the potential to significantly decrease the time required to detect Salmonella, as long as the extract can be efficiently filtered and the pathogenic microorganisms kept in a viable state during this process. We present conditions that enable microfiltration by adding endopeptidase from Bacillus amyloliquefaciens to chicken extracts or chicken rinse, prior to microfiltration with fluid flow on both retentate and permeate sides of 0.2 μm cutoff polysulfone and polyethersulfone hollow fiber membranes. After treatment with this protease, the distribution of micron, submicron, and nanometer particles in chicken extracts changes so that the size of the remaining particles corresponds to 0.4–1 μm. Together with alteration of dissolved proteins, this change helps to explain how membrane fouling might be minimized because the potential foulants are significantly smaller or larger than the membrane pore size. At the same time, we found that the presence of protein protects Salmonella from protease action, thus maintaining cell viability. Concentration and recovery of 1–10 CFU Salmonella/mL from 400 mL chicken rinse is possible in less than 4 h, with the microfiltration step requiring less than 25 min at fluxes of 0.028–0.32 mL/cm2  min. The entire procedure—from sample processing to detection by polymerase chain reaction—is completed in 8 h. © 2015 American Institute of Chemical Engineers Biotechnol. Prog., 31:1551–1562, 2015
Chemostat production of pediocin SM‐1 by Pediococcus pentosaceus Mees 1934
Authors: Papagianni Maria , Sergelidis Daniel
Published: September 2015

Production of the bacteriocin pediocin SM‐1 by Pediococcus pentosaceus Mees 1934 was investigated in pH‐controlled batch and chemostat cultures using a complex medium containing glucose, sucrose or fructose. In chemostat cultures operated at 150 rpm, 30°C, 60% dissolved oxygen tension, pH 6.5, and D = 0.148 h−1, the pediocin titer reached 185 AU/mL representing an increase of 32% compared with batch cultures in which glucose was used as the carbon source. Pediocin biosynthesis was markedly affected by the growth rate of the producer microorganism. For all carbon sources tested, pediocin production appeared to take place only at dilution rates lower than μmax. However, only glucose supported production at the very low dilution rate of 0.05 h−1 indicating a direct regulation of pediocin biosynthesis by the carbon source. Glucose supported higher biomass productivity and higher pediocin titers and yields compared with the other sugars used. © 2015 American Institute of Chemical Engineers Biotechnol. Prog., 31:1481–1486, 2015
Binding domains of Bacillus anthracis phage endolysins recognize cell culture age‐related features on the bacterial surface
Authors: Paskaleva Elena E. , Mundra Ruchir V. , Mehta Krunal K. , Pangule Ravindra C. , Wu Xia , Glatfelter Willing S. , Chen Zijing , Dordick Jonathan S. , Kane Ravi S.
Published: September 2015

Bacteriolytic enzymes often possess a C‐terminal binding domain that recognizes specific motifs on the bacterial surface and a catalytic domain that cleaves covalent linkages within the cell wall peptidoglycan. PlyPH, one such lytic enzyme of bacteriophage origin, has been reported to be highly effective against Bacillus anthracis, and can kill up to 99.99% of the viable bacteria. The bactericidal activity of this enzyme, however, appears to be strongly dependent on the age of the bacterial culture. Although highly bactericidal against cells in the early exponential phase, the enzyme is substantially less effective against stationary phase cells, thus limiting its application in real‐world settings. We hypothesized that the binding domain of PlyPH may differ in affinity to cells in different Bacillus growth stages and may be primarily responsible for the age‐restricted activity. We therefore employed an in silico approach to identify phage lysins differing in their specificity for the bacterial cell wall. Specifically we focused our attention on Plyβ, an enzyme with improved cell wall‐binding ability and age‐independent bactericidal activity. Although PlyPH and Plyβ have dissimilar binding domains, their catalytic domains are highly homologous. We characterized the biocatalytic mechanism of Plyβ by identifying the specific bonds cleaved within the cell wall peptidoglycan. Our results provide an example of the diversity of phage endolysins and the opportunity for these biocatalysts to be used for broad‐based protection from bacterial pathogens. © 2015 American Institute of Chemical Engineers Biotechnol. Prog., 31:1487–1493, 2015
Fingerprint detection and process prediction by multivariate analysis of fed‐batch monoclonal antibody cell culture data
Authors: Sokolov Michael , Soos Miroslav , Neunstoecklin Benjamin , Morbidelli Massimo , Butté Alessandro , Leardi Riccardo , Solacroup Thomas , Stettler Matthieu , Broly Hervé
Published: September 2015

This work presents a sequential data analysis path, which was successfully applied to identify important patterns (fingerprints) in mammalian cell culture process data regarding process variables, time evolution and process response. The data set incorporates 116 fed‐batch cultivation experiments for the production of a Fc‐Fusion protein. Having precharacterized the evolutions of the investigated variables and manipulated parameters with univariate analysis, principal component analysis (PCA) and partial least squares regression (PLSR) are used for further investigation. The first major objective is to capture and understand the interaction structure and dynamic behavior of the process variables and the titer (process response) using different models. The second major objective is to evaluate those models regarding their capability to characterize and predict the titer production. Moreover, the effects of data unfolding, imputation of missing data, phase separation, and variable transformation on the performance of the models are evaluated. © 2015 American Institute of Chemical Engineers Biotechnol. Prog., 31:1633–1644, 2015
The pediatric inguinal canal: Systematic review of the embryology and surface anatomy
Authors: Taghavi Kiarash , Geneta von Paolo , Mirjalili S. Ali
Published: September 2015

The inguinoscrotal region is one of the most common areas operated on in pediatric surgery. Despite this, the surface anatomy of the pediatric inguinal canal is variably defined. The aim of the current systematic review is to evaluate the development and surface anatomy of the pediatric inguinal canal. A systematic review of inguinal canal anatomy in children was conducted using the electronic databases: Medline, PubMed, Scopus, and Google Scholar. Relevant anatomical measurements and relationships were reviewed. The anatomical structures forming the walls of the inguinal canal were identified in fetuses as early as 8–10 weeks gestation. No studies addressed the developmental basis of this early defect in the lower anterior abdominal. Later gonadal development and descent has a defined role. In vivo measurements of children carried out during open surgery are inconsistent. Some studies showed rapid growth velocity of the length of the inguinal canal up to 2 years of age (with height and growth of the bony pelvis) before plateauing, while others suggested no increase in canal length prior to 10 years of age. The position of the deep inguinal ring was equally unclear; some studies suggested this was medial to the midpoint of the inguinal ligament. No studies described the position of the superficial ring, challenging the assumption that the rings are superimposed in the neonate. The dearth of studies analyzing pediatric inguinal anatomy means that changes in the position of the rings with respect to the lengthening of the canal remain unclear. Clin. Anat. 29:204–210, 2016. © 2015 Wiley Periodicals, Inc.
ChemInform Abstract: Structural, Elastic, Electronic, Bonding, and Optical Properties of BeAZ2 (A: Si, Ge, Sn; Z: P, As) Chalcopyrites
Authors: Fahad Shah , Murtaza G. , Ouahrani T. , Khenata R. , Yousaf Masood , Omran S.Bin , Mohammad Saleh
Published: September 2015

DFT calculations
ChemInform Abstract: Infinitely Adaptive Transition‐Metal Ordering in Ln2O2MSe2‐Type Oxychalcogenides.
Authors: Ainsworth Chris M. , Wang Chun‐Hai , Johnston Hannah E. , McCabe Emma E. , Tucker Matthew G. , Brand Helen E. A. , Evans John S. O.
Published: September 2015

A range of Ln2O2M11‐xM 2xSe2 and La2‐yCeyO2M1Se2 (Ln: La, Ce, M1/M2: Fe, Zn, Mn, Cd) solid solutions are prepared (60 new compositions) to investigate the effects of systematically changing the relative sizes of [Ln2O2]2+ and [MSe2]2‐ layers on transition metal ordering by powder X‐ray and neutron diffraction.
ChemInform Abstract: A Linear Bridging Angle in the Pyrovanadate Group within the Crystal Structure of Hg2V2Te2O11.
Authors: Weil Matthias
Published: September 2015

Hg2V2Te2O11 single crystals are hydrothermally grown from a 1:1:1 molar mixture of HgO, TeO2, and NH4VO3 (autoclave, 473 K, 1 week).
ChemInform Abstract: Novel Mixed Cobalt/Chromium Phosphate NaCoCr2(PO4)3 Showing Spin‐Flop Transition.
Authors: Souiwa Khalifa , Chennabasappa Madhu , Decourt Rodolphe , Ben Amara Mongi , Hidouri Mourad , Toulemonde Olivier
Published: September 2015

The new title compound is prepared by solid state reaction of a stoichiometric mixture of Na2CO3, Co(NO3)2, Cr(NO3)3, and (NH4)H2PO4 (Pt crucible, 1423 K, 48 h).
ChemInform Abstract: Ambient‐Pressure Synthesis of Two New Vanadium‐Based Calcium Ferrite‐Type Compounds: NaV1.25Ti0.75O4 and NaVSnO4.
Authors: Viciu Liliana , Ryser Alice , Mensing Christian , Bos Jan‐Willem G.
Published: September 2015

The title compounds are synthesized (0.5 g scale) at ambient pressure using Na2CO3, V2O3, TiO2, and SnO2 as starting materials (2 d at 650 °C followed by 3 d at 700—750 °C).
ChemInform Abstract: Gold‐Catalyzed Oxime—Oxime Rearrangement.
Authors: Guven Sinem , Ozer Merve Sinem , Kaya Serdal , Menges Nurettin , Balci Metin
Published: September 2015

The synthesis of pyrrole and indole derived oximes and their Au(III)‐catalyzed reactions are described.
ChemInform Abstract: Selective Access to 3‐Cyano‐1H‐indoles, 9H‐Pyrimido[4,5‐b]indoles, or 9H‐Pyrido[2,3‐b]indoles Through Copper‐Catalyzed One‐Pot Multicomponent Cascade Reactions.
Authors: Li Bin , Guo Shenghai , Zhang Ju , Zhang Xinying , Fan Xuesen
Published: September 2015

The direction of the reaction of tribromides (I) with aryl aldehydes depends on the amount of the aldehydes and ammonia to afford 3‐cyano‐1H‐indoles (III) or 9H‐pyrimido[4,5‐b]indoles (IV).
ChemInform Abstract: Synergistic Cu—Amine Catalysis for the Enantioselective Synthesis of Chiral Cyclohexenones.
Authors: Quintard A. , Rodriguez J.
Published: September 2015

The first utilization of ketodiacid (II) as a bis‐nucleophile and acetone surrogate in enantioselective catalysis is presented.
ChemInform Abstract: Development of Variously Functionalized Nitrile Oxides.
Authors: Asahara Haruyasu , Arikiyo Keita , Nishiwaki Nagatoshi
Published: September 2015

N‐methylated amides (I) are converted to versatile carbonyl functions via N‐tosylation followed by nucleophilic substitution.
ChemInform Abstract: Evolution of a Short Route to Strychnine by Using the Samarium‐Diiodide‐Induced Cascade Cyclization as a Key Step.
Authors: Beemelmanns Christine , Reissig Hans‐Ulrich
Published: September 2015

The cascade cyclization of substrate (I) provides the key intermediate (II).
ChemInform Abstract: Catalytic ortho‐Acetoxylation of Masked Benzyl Alcohols via an Exo‐Directing Mode.
Authors: Ren Zhi , Schulz Jonathan E. , Dong Guangbin
Published: September 2015

2,6‐Dimethoxybenzaldoxime is found to be a highly efficient directing group for the ortho‐acetoxylation of various masked primary and secondary benzyl alcohols.
ChemInform Abstract: Site‐Selective Approach to β‐Fluorination: Photocatalyzed Ring Opening of Cyclopropanols.
Authors: Bloom Steven , Bume Desta Doro , Pitts Cody Ross , Lectka Thomas
Published: September 2015

A selective photo‐promoted ring‐opening/β‐fluorination process of cyclopropanols is developed to afford diverse β‐fluorinated ketones.
ChemInform Abstract: Palladium‐Catalyzed Heck‐Type Coupling via C—N Cleavage.
Authors: Fan Weizheng , Liu Faming , Feng Bainian
Published: September 2015

Various chalcones are synthesized from arenes and ketone Mannich bases involving a C‐N cleavage.
ChemInform Abstract: New Convenient Five‐Component One‐Pot Synthesis of 3‐Alkyl‐6‐amino‐1,4‐dihydro‐4‐{ [(1,2,3‐triazol‐4‐yl)methoxy]phenyl}pyrano [2,3‐c]pyrazole‐5‐carbonitrile Derivatives.
Authors: Dabiri Minoo , Salehi Peyman , Fakharian Mahsa , Kazemi Movahed Siyavash , MaGee David I.
Published: September 2015

Title compounds [(V) and (VII)] are synthesized through a very simple, highly efficient and environmentally benign one‐pot five‐component reaction in good to high yields.
ChemInform Abstract: Stereoselective Preparation of (E)‐ and (Z)‐Di‐ and Trisubstituted 1,3‐Butadienes.
Authors: Takeda Takeshi , Tateishi Keiichiro , Tsubouchi Akira
Published: September 2015

Both (E)‐ and (Z)‐1,1‐disubstituted as well as 1,1,2‐trisubstituted 1,3‐butadienes are stereoselectively obtained from anti‐β‐hydroxysilanes by Peterson elimination under acidic or basic reaction conditions, respectively.
ChemInform Abstract: Metal‐Free N‐Arylation of Secondary Amides at Room Temperature.
Authors: Tinnis Fredrik , Stridfeldt Elin , Lundberg Helena , Adolfsson Hans , Olofsson Berit
Published: September 2015

Various tertiary acyclic amides are regiospecifically obtained utilizing the high reactivity of diaryliodinium salts.
ChemInform Abstract: Dibromofluoromethylation of Aryl Grignard Reagents with Dibromodifluoromethane in the Presence of LiBr.
Authors: Shiosaki Masahiro , Inoue Munenori
Published: September 2015

Aryl Grignard reagents generated from electron withdrawing aryl iodides and bromides react with dibromodifluoromethane to give dibromofluoromethylarenes.
ChemInform Abstract: Metal‐Free Efficient Cross Coupling of Aromatic Aldehydes with Aryldiazonium Tetrafluoroborates Using DTBP as a Radical Initiator.
Authors: Tripathi Shubhangi , Singh Sachchida N. , Yadav Lal Dhar S.
Published: September 2015

The presented method represents the first example for the preparation of diarylketones via radical‐radical cross coupling.
ChemInform Abstract: Catalytic Amidation of Unactivated Ester Derivatives Mediated by Trifluoroethanol.
Authors: Caldwell Nicola , Jamieson Craig , Simpson Iain , Watson Allan J. B.
Published: September 2015

A novel and versatile organocatalytic amidation method facilitated by inexpensive 2,2,2‐trifluoroethanol is presented.
ChemInform Abstract: Expedient Strategy for the Synthesis of 5‐Acylethynylpyrrole‐2‐carbaldehydes
Authors: Tomilin Denis N. , Sobenina Lyubov N. , Markova Marina V. , Gotsko Maxim D. , Ushakov Igor A. , Smirnov Vladimir I. , Vaschenko Alexander V. , Mikhaleva Albina I. , Trofimov Boris A.
Published: September 2015

using acetal protection of the aldehyde functionality
ChemInform Abstract: Organocatalytic Highly Enantioselective Substitution of 3‐(1‐Tosylalkyl)indoles with Oxindoles Enables the First Total Synthesis of (+)‐Trigolutes B.
Authors: Huang Jian‐Zhou , Zhang Chen‐Long , Zhu Yi‐Fan , Li Lu‐Lu , Chen Dian‐Feng , Han Zhi‐Yong , Gong Liu‐Zhu
Published: September 2015

The base promoted coupling of functionalized oxindoles (I) and (V) with 3‐(1‐tosylalkyl)indoles in the presence of bifunctional thiourea catalyst is developed.
ChemInform Abstract: Imidazolium Based Ionic Liquids Bearing a Hydroxyl Group as Highly Efficient Catalysts for the Addition of CO2 to Epoxides.
Authors: Denizalti Serpil
Published: September 2015

The catalyst can be recycled and reused at least four times with only a slight decrease in yield.
ChemInform Abstract: Synthesis of Functionalized 2‐Isoxazolines as Three‐Dimensional Fragments for Fragment‐Based Drug Discovery.
Authors: Tran Ngoc Chau , Dhondt Heleen , Flipo Marion , Deprez Benoit , Willand Nicolas
Published: September 2015

In situ generated nitrile oxides undergo 1,3‐dipolar cycloaddition with alkenes to give 2‐isoxazoline derivatives.
ChemInform Abstract: Cyclization Reaction of N‐Allylbenzothioamide for Direct Construction of Thiazole and Thiazoline.
Authors: Zhou Wei , Ni Shengyang , Mei Haibo , Han Jianlin , Pan Yi
Published: September 2015

Depending on the substitution patterns substrates, either thiazoles or thiazolines are obtained.
ChemInform Abstract: Photocatalytic Oxidative Heterocyclization of Semicarbazones: An Efficient Approach for the Synthesis of 1,3,4‐Oxadiazoles.
Authors: Kapoorr Ritu , Singh Sachchida N. , Tripathi Shubhangi , Yadav Lal Dhar S.
Published: September 2015

An efficient and metal‐free method for the one‐pot synthesis of various 5‐substituted 2‐amino‐1,3,4‐oxadiazoles (II) utilizing visible light and atmospheric oxygen under mild reaction conditions is developed.
ChemInform Abstract: Organocatalyzed Oxidative N‐Annulation for Diverse and Polyfunctionalized Pyridines.
Authors: Khanal Hari Datta , Lee Yong Rok
Published: September 2015

A novel strategy for the organocatalyzed synthesis of functionalized pyridines via a three‐component, one‐pot‐reaction of ketones, α, β‐unsaturated aldehydes, and ammonium acetate is developed.
ChemInform Abstract: Facile Rh(III)‐Catalyzed Synthesis of Fluorinated Pyridines.
Authors: Chen Shuming , Bergman Robert G. , Ellman Jonathan A.
Published: September 2015

A convenient synthesis of multisubstituted 3‐fluoropyridines is achieved through coupling of α,β‐unsaturated oximes with alkynes.
ChemInform Abstract: Expedient Copper‐Free One‐Pot Alkynylation—Cyclization Sequence for the Preparation of 2‐Substituted 7‐Azaindoles.
Authors: Lessing Timo , Sterzenbach Fabian , Mueller Thomas J. J.
Published: September 2015

The title azaindoles (III), (V), (VII) are rapidly and efficiently synthesized from 2‐aminopyridyl halides and terminal alkynes without any activation or protection of the amino nitrogen of the 2‐aminopyridyl halides.
ChemInform Abstract: Synthesis of Imidazo[4,5‐e]thiazolo[2,3‐c]‐1,2,4‐triazine‐2,8‐diones via a Rearrangement of Imidazo[4,5‐e]thiazolo[3,2‐b]‐1,2,4‐triazine‐2,7‐diones in the Reaction with Isatins.
Authors: Gazieva Galina A. , Izmest'ev Alexei N. , Nelyubina Yulia V. , Kolotyrkina Natalya G. , Zanin Igor E. , Kravchenko Angelina N.
Published: September 2015

Depending only on stoichiometry of base and refluxing time either thiazolo[3,2‐b]‐ or thiazolo[2,3‐c]‐1,2,4‐triazines (III) or (IV), resp., are accessible.
ChemInform Abstract: Organoborane Catalyzed Regioselective 1,4‐Hydroboration of Pyridines.
Authors: Fan Xiaoting , Zheng Junhao , Li Zhen Hua , Wang Huadong
Published: September 2015

The hydroboration of pyridines, catalyzed by a bulky organoborane, proceeds under metal‐free conditions and shows excellent chemo‐ and regioselectivity.
ChemInform Abstract: Inverse Regioselectivity in the Silylstannylation of Alkynes and Allenes: Copper‐Catalyzed Three‐Component Coupling with a Silylborane and a Tin Alkoxide.
Authors: Yoshida H. , Hayashi Y. , Ito Y. , Takaki K.
Published: September 2015

Reversed regioselectivity, compared to conventional silylstannylation reactions under Pd‐catalysis, is achieved using silyl boranes (II) and tin alkoxides (III) and (VII) in a one‐pot reaction to generate either 2‐silyl‐1‐stannyl‐1‐alkenes (IV)/(V) from alkynes (I) and 1‐silyl‐2‐stannyl‐2‐alkenes (VIII)/(IX) from allenes (VI).
ChemInform Abstract: 24,25‐Dihydrolimocinol, a new Triterpenoid from Fresh Fruits of Melia azadirachta
Authors: Misra Laxminarain , Gupta Sonika , Sangwan Rajender S.
Published: September 2015

isolation and structure elucidation of 24,25‐dihydrolimocinol (I)
ChemInform Abstract: Synthesis by Microwave‐Assisted 1,3‐Dipolar Cycloaddition of 1,2,3‐Triazole 1′‐Homo‐3′‐isoazanucleosides and Evaluation of Their Anticancer Activity.
Authors: Ferreira da Costa Joana , Garcia‐Mera Xerardo , Caamano Olga , Brea Jose Manuel , Loza Maria Isabel
Published: September 2015

Racemic isoazanucleosides (III) are synthesized by microwave‐assisted 1,3‐dipolar cycloaddition of proline derivative (I) with various alkynes.
ChemInform Abstract: Recent Advances in the Syntheses, Transformations and Applications of 1,1‐Dihalocyclopropanes
Authors: Thankachan Amrutha P. , Sindhu K. S. , Krishnan K. Keerthi , Anilkumar Gopinathan
Published: September 2015

Review: 123 refs.
ChemInform Abstract: A Review on the Chemical Synthesis of Pyrophosphate Bonds in Bioactive Nucleoside Diphosphate Analogues
Authors: Xu Zhihong
Published: September 2015

Review: [65 refs.
ChemInform Abstract: Hot‐Electron‐Mediated Surface Chemistry: Toward Electronic Control of Catalytic Activity
Authors: Park Jeong Young , Kim Sun Mi , Lee Hyosun , Nedrygailov Ievgen I.
Published: September 2015

Review: 62 refs.
Les effets du gel d'une caisse de retraite sur la performance et le risque des entreprises
Authors: Champagne Claudia , Chrétien Stéphane , Coggins Frank
Published: September 2015

This study considers the effect of freezing defined benefit pension funds on shareholder risk and returns. The conditional models used in this study directly assess the effects of a pension fund freeze on returns and on systematic and residual risk. While pension fund freezes do not significantly affect performance or systematic risk, they do significantly reduce short‐term residual risk. Pension fund freezes therefore do not generally present significant financial advantages to shareholders. Only shareholders of funds in crisis would benefit from significant systematic risk reductions. Copyright © 2015 ASAC. Published by John Wiley & Sons, Ltd.
Pontine reticulospinal projections in the neonatal mouse: Internal organization and axon trajectories
Authors: Sivertsen Magne S. , Perreault Marie‐Claude , Glover Joel C.
Published: September 2015

We recently characterized physiologically a pontine reticulospinal (pRS) projection in the neonatal mouse that mediates synaptic effects on spinal motoneurons via parallel uncrossed and crossed pathways (Sivertsen et al. [2014] J Neurophysiol 112:1628–1643). Here we characterize the origins, anatomical organization, and supraspinal axon trajectories of these pathways via retrograde tracing from the high cervical spinal cord. The two pathways derive from segregated populations of ipsilaterally and contralaterally projecting pRS neurons with characteristic locations within the pontine reticular formation (PRF). We obtained estimates of relative neuron numbers by counting from sections, digitally generated neuron position maps, and 3D reconstructions. Ipsilateral pRS neurons outnumber contralateral pRS neurons by threefold and are distributed about equally in rostral and caudal regions of the PRF, whereas contralateral pRS neurons are concentrated in the rostral PRF. Ipsilateral pRS neuron somata are on average larger than contralateral. No pRS neurons are positive in transgenic mice that report the expression of GAD, suggesting that they are predominantly excitatory. Putative GABAergic interneurons are interspersed among the pRS neurons, however. Ipsilateral and contralateral pRS axons have distinctly different trajectories within the brainstem. Their initial spinal funicular trajectories also differ, with ipsilateral and contralateral pRS axons more highly concentrated medially and laterally, respectively. The larger size and greater number of ipsilateral vs. contralateral pRS neurons is compatible with our previous finding that the uncrossed projection transmits more reliably to spinal motoneurons. The information about supraspinal and initial spinal pRS axon trajectories should facilitate future physiological assessment of synaptic connections between pRS neurons and spinal neurons. J. Comp. Neurol. 524:1270–1291, 2016. © 2015 Wiley Periodicals, Inc.
Heed our fathers' advice for success in the workplace
Authors: Hodges Dawn Z.
Published: September 2015

Every day I read another article or blog post about how to be successful. Really the only advice we've ever needed we got while growing up. Our fathers gave us the best advice we've ever gotten. Heed it, and you'll never need to read anything else about success. Their tenets were simple. Here's what my dad told me:
The dilemma of “indeterminate” interpretations of pancreatic neuroendocrine tumors on fine needle aspiration
Authors: Ahmed Aadil , VandenBussche Christopher J. , Ali Syed Z. , Olson Matthew T.
Published: September 2015

Background

Indeterminate (atypical/suspicious) fine needle aspiration (FNA) interpretation of Pancreatic Neuroendocrine Tumor (PanNET) can be frustrating for both pathologists and clinicians. Although published literature has often addressed the significance of indeterminate cytologic diagnoses in non‐neuroendocrine epithelial lesions, the significance of indeterminate FNA results for PanNET is less established.

Methods

The pathology records of The Johns Hopkins hospital were searched for histologic diagnoses of PanNET that had corresponding pre‐operative FNA results. Cytopathologic diagnoses were categorized according to the index of suspicion described in the report (atypical, suspicious for PanNET and PanNET). Additionally, the exact reasons for the indeterminate nature of the diagnoses—such as lack of adequate cytologic features, unusual findings, or lack of confirmatory immunocytochemistry (ICC) were investigated.

Results

One hundred and twenty (120) cases of PanNET were identified. Of these, the FNA diagnoses were as follows: 78% (94/120) were PanNET, 9% (11/120) were suspicious for PanNET, 6% (7/120) were atypical, 4% (5/120) were benign, 2% (2/120) were non‐diagnostic and 1% (1/120) was called a mucinous neoplasm. Of the 94 cases that were definitively PanNET, 74 (78%) required ICC for the diagnosis. Of the 26 cases that were not diagnosed definitively as PanNET, 73% (19/26) were morphologically suggestive of PanNET but did not have sufficient material for confirmatory ICC.

Conclusions

ICC is commonly employed to confirm the cytologic suspicion for PanNET. The most common reasons for indeterminate diagnoses were a quantitative lack of lesional cells and lack of material for confirmatory ICC. Diagn. Cytopathol. 2016;44:10–13. © 2015 Wiley Periodicals, Inc.
5′ and 3′ untranslated regions contribute to the differential expression of specific HLA‐A alleles
Authors: René Céline , Lozano Claire , Villalba Martin , Eliaou Jean‐François
Published: September 2015

In hematopoietic stem cell transplantation (HSCT), when no HLA full‐matched donor is available, alternative donors could include one HLA‐mismatched donor. Recently, the low expressed HLA‐C alleles have been identified as permissive mismatches for the best donor choice. Concerning HLA‐A, the degree of variability of expression is poorly understood. Here, we evaluated HLA‐A expression in healthy individuals carrying HLA‐A*02 allele in different genotypes using flow cytometry and allele‐specific quantitative RT‐PCR. While an interindividual variability of HLA‐A*02 cell surface expression, not due to the allele associated, was observed, no difference of the mRNA expression level was shown, suggesting the involvement of the posttranscriptional regulation. The results of qRT‐PCR analyses exhibit a differential expression of HLA‐A alleles with HLA‐A*02 as the strongest expressed allele independently of the second allele. The associated non‐HLA‐A*02 alleles were differentially expressed, particularly the HLA‐A*31 and HLA‐A*33 alleles (strong expression) and the HLA‐A*29 (low expression). The presence of specific polymorphisms in the 5′ and 3′ untranslated regions of the HLA‐A*31 and HLA‐A*33 alleles could contribute to this high level of expression. As previously described for HLA‐C, low‐expressed HLA‐A alleles, such as HLA‐A*29, could be considered as a permissive mismatch, although this needs to be confirmed by clinical studies.
L2Roe: a low dissipation version of Roe's approximate Riemann solver for low Mach numbers
Authors: Oßwald K. , Siegmund A. , Birken P. , Hannemann V. , Meister A.
Published: September 2015

A modification of the Roe scheme called L2Roe for low dissipation low Mach Roe is presented. It reduces the dissipation of kinetic energy at the highest resolved wave numbers in a low Mach number test case of decaying isotropic turbulence. This is achieved by scaling the jumps in all discrete velocity components within the numerical flux function. An asymptotic analysis is used to show the correct pressure scaling at low Mach numbers and to identify the reduced numerical dissipation in that regime. Furthermore, the analysis allows a comparison with two other schemes that employ different scaling of discrete velocity jumps, namely, LMRoe and a method of Thornber et al. To this end, we present for the first time an asymptotic analysis of the last method. Numerical tests on cases ranging from low Mach number (M∞=0.001) to hypersonic (M∞=5) viscous flows are used to illustrate the differences between the methods and to show the correct behavior of L2Roe. No conflict is observed between the reduced numerical dissipation and the accuracy or stability of the scheme in any of the investigated test cases. Copyright © 2015 John Wiley & Sons, Ltd.
A mass‐conservative staggered immersed boundary model for solving the shallow water equations on complex geometries
Authors: Canestrelli Alberto , Spruyt Aukje , Jagers Bert , Slingerland Rudy , Borsboom Mart
Published: September 2015

In this work, an approach is proposed for solving the 3D shallow water equations with embedded boundaries that are not aligned with the underlying horizontal Cartesian grid. A hybrid cut‐cell/ghost‐cell method is used together with a direction‐splitting implicit solver: Ghost cells are used for the momentum equations in order to prescribe the correct boundary condition at the immersed boundary, while cut cells are used in the continuity equation in order to conserve mass. The resulting scheme is robust, does not suffer any time step limitation for small cut cells, and conserves fluid mass up to machine precision. Moreover, the solver displays a second‐order spatial accuracy, both globally and locally. Comparisons with analytical solutions and reference numerical solutions on curvilinear grids confirm the quality of the method. Copyright © 2015 John Wiley & Sons, Ltd.
Melt season hydrological characteristics of the Parlung No. 4 Glacier, in Gangrigabu Mountains, south‐east Tibetan Plateau
Authors: Li Shenghai , Yao Tandong , Yang Wei , Yu Wusheng , Zhu Meilin
Published: September 2015

With global warming, hazards relating to glacial melt, such as glacial lake outburst floods, are becoming progressively more serious. However, glacial melt processes and their hydrological consequences are very poorly understood. This study collected glacier discharge data from the terminus of the Parlung No. 4 Glacier throughout the melt season (May–October) during 2008, 2010, 2011 and 2012 to study its specific hydrological characteristics. Time series and multivariate regression analyses were employed to investigate the relationships between discharge and meteorological factors involved, as well as their correlation to discharge estimations. The 0‐ to 3‐day time series analysis showed that discharge rates were highly autocorrelated and that discharge was significantly positively correlated to air temperature, vapour pressure and daily incoming shortwave radiation as well as weakly positively correlated to precipitation. A multiple‐regression exponential model using the independent variables of the daily mean temperature and the vapour pressure exclusively was applied to simulate daily discharge in the basin with a high degree of accuracy. On average, July yielded the maximum monthly mean discharge, followed by August. Discharge in July and August accounted for 53% of the total discharge during the main melt season. The daily cycle of discharge changed as the melt season progressed, reflecting hydrological processes and characteristics of snow melt and glacier ice/snow melt, as well as their transitional periods. Subsequently, regular variations in the characteristics of the diurnal cycle of discharge, storage and delay were observed as the melt season progressed. In addition, the reasons behind the inter‐annual variation in the characteristics of discharge and glacier discharge from the Tibetan Plateau and its surrounding areas are compared and discussed. Copyright © 2015 John Wiley & Sons, Ltd.
Moral Evaluations of Lying for One's Own Group
Authors: Fu Genyue , Luo Yang C. , Heyman Gail D. , Wang Bo , Cameron Catherine A. , Lee Kang
Published: September 2015

This study investigated the development of moral judgments of blue lies, which occur when a speaker makes false statements to benefit a group of which he or she is a member. We investigated this issue in China, where there is substantial emphasis on the nature of children's associations with groups they belong to. Participants ranged in age from 9 to 17, and we asked them to evaluate lies that were told to benefit a team representing a speaker's class, school, or country. Judgments varied systematically as a function of age, with the 17‐year‐olds rating lying for any form of collective less negatively than did the younger age groups. In addition, across the age groups, children's affinity tended to shift from smaller groups to broader and more abstract collectives: 9‐ and 11‐year olds were least critical of blue lies told to benefit a speaker's class, 13‐year olds were least critical of blue lies told to benefit a speaker's school, and 17‐year olds were least critical of blue lies told to benefit a speaker's country. Copyright © 2015 John Wiley & Sons, Ltd.
Computational design of organometallic oligomers featuring 1,3‐metal‐carbon bonding and planar tetracoordinate carbon atoms
Authors: Zhao Xue‐Feng , Yuan Cai‐Xia , Wang Xiang , Li Jia‐Jia , Wu Yan‐Bo , Wang Xiaotai
Published: September 2015

Density functional theory computations (B3LYP) have been used to explore the chemistry of titanium–aromatic carbon “edge complexes” with 1,3‐metal‐carbon (1,3‐MC) bonding between Ti and planar tetracoordinate Cβ. The titanium‐coordinated, end‐capping chlorides are replaced with OH or SH groups to afford two series of difunctional monomers that can undergo condensation to form oxide‐ and sulfide‐bridged oligomers. The sulfide‐linked oligomers have less molecular strain and are more exergonic than the corresponding oxide‐linked oligomers. The HOMO–LUMO gap of the oligomers varies with their composition and decreases with growing oligomer chain. This theoretical study is intended to enrich 1,3‐MC bonding and planar tetracoordinate carbon chemistry and provide interesting ideas to experimentalists. Organometallic complexes with the TiE2 (E = OH and SH) decoration on the edge of aromatic hydrocarbons have been computationally designed, which feature 1,3‐metal‐carbon (1,3‐MC) bonding between titanium and planar tetracoordinate β‐carbon. Condensation of these difunctional monomers by eliminating small molecules (H2O and H2S) produce chain‐like oligomers. The HOMO–LUMO gaps of the oligomers decreases with growing oligomer chain, a trend that suggests possible semiconductor properties for oligomers with longer chains. © 2015 Wiley Periodicals, Inc.
A coupled‐cluster study on the noble gas binding ability of metal cyanides versus metal halides (metal = Cu, Ag, Au)
Authors: Pan Sudip , Gupta Ashutosh , Saha Ranajit , Merino Gabriel , Chattaraj Pratim K.
Published: September 2015

A coupled‐cluster study is carried out to investigate the efficacy of metal(I) cyanide (MCN; M = Cu, Ag, Au) compounds to bind with noble gas (Ng) atoms. The MNg bond dissociation energy, enthalpy change, and Gibbs free energy change for the dissociation processes producing Ng and MCN are computed to assess the stability of NgMCN compounds. The Ng binding ability of MCN is then compared with the experimentally detected NgMX (X = F, Cl, Br) compounds. While CuCN and AgCN have larger Ng binding ability than those of MCl and MBr (M = Cu, Ag), AuCN shows larger efficacy toward bond formation with Ng than that of AuBr. Natural bond orbital analysis, energy decomposition analysis in conjunction with the natural orbital for chemical valence theory, and the topological analysis of the electron density are performed to understand the nature of interaction occurring in between Ng and MCN. The NgM bonds in NgMCN are found comprise an almost equal contribution from covalent and electrostatic types of interactions. The different electron density descriptors also reveal the partial covalent character in the concerned bonds. © 2015 Wiley Periodicals, Inc.
Carotid artery diameter and wall stiffness in proteinuric renal disease without severely reduced kidney function
Authors: Iannuzzi MariaRosaria , D'Angelillo Antonio , Tortori Antonia , Pazzano Dario , De Serio Luca , Covetti Giuseppe , Bresciani Alessandro , Iannuzzi Arcangelo
Published: September 2015

Purpose

To evaluate the carotid artery diameter, and wall thickness and stiffness in patients with glomerulopathy and proteinuria without severely reduced kidney function.

Methods

We compared 30 control subjects to 30 patients with glomerular disease, proteinuria, and glomerular filtration rate > 30 ml/min/1.73 m2: membranous glomerulonephritis (n = 13), minimal change disease (n = 2), focal and segmental glomerulosclerosis (n = 3), IgA nephropathy (n = 5), lupus nephritis (n = 5), antiphospholipid antibody nephropathy (n = 1), cryoglobulinemic glomerulonephritis (n = 1). The laboratory evaluations included carotid artery diameter, intima‐media thickness, and stiffness measurements.

Results

Carotid cross‐sectional area of intima‐media complex was thicker in patients (18.6 ± 1.4 [x ± SEM]) than in controls (14.8 ± 0.6 mm2, p = 0.014), as was carotid artery wall stiffness (8.96 ± 0.86 versus 5.65 ± 0.38, [x ± SEM], p < 0.01). This difference remained significant after adjustment for age, sex, and metabolic cardiovascular risk factors: carotid stiffness was 9.19 ± 0.67 (99% confidence interval [CI] 7.40–10.98)] in patients and 4.80 ± 0.75 (99% CI 2.79–7.11) in controls; adjusted mean difference 4.40 (99% CI 1.46–7.34); p <0.001.

Conclusions

This study showed, for the first time, signs of altered structural and elastic properties of the arterial wall in patients with proteinuria and glomerular disease without severely reduced kidney function. © 2015 Wiley Periodicals, Inc. J Clin Ultrasound 44:175–181, 2016