bluuebunny/crossref_metadata_2025_split huggingface dataset:
ChemInform Abstract: Palladium‐Catalyzed Direct Arylation of 5‐Halouracils and 5‐Halouracil Nucleosides with Arenes and Heteroarenes Promoted by TBAF.
Authors: Liang Yong , Gloudeman Jennifer , Wnuk Stanislaw F. 
Published: September 2014

AbstractThe presented method may be useful for the synthesis of fluorescent 5‐heteroaryl substituted nucleosides.
ChemInform Abstract: A Direct Access to Bioactive Fused N‐Heterocyclic Acetic Acid Derivatives.
Authors: Adepu Raju , Rajitha A. , Ahuja Dipali , Sharma Atul Kumar , Ramudu B. , Kapavarapu Ravikumar , Parsa Kishore V. L. , Pal Manojit 
Published: September 2014

AbstractA rapid access to novel, fused N‐heterocyclic acetic acid derivatives via a ligand‐ and additive‐free Cu‐mediated domino reaction of amides (I) with nitriles (II) is developed.
ChemInform Abstract: Emergence of Pyrido Quinoxalines as New Family of Antimalarial Agents.
Authors: Chandra Shekhar A. , Shanthan Rao P. , Narsaiah B. , Allanki Aparna Devi , Sijwali Puran Singh 
Published: September 2014

AbstractA series of pyridoquinoxaline derivatives (24 examples) are synthesized and evaluated for their antimalarial activities against chloroquine sensitive (3D7) and drug resistant (Dd2) strains of Plasmodium falciparum.
ChemInform Abstract: An Extended Scope Synthesis of an Artificial Safranine Cofactor.
Authors: Raju Gheevarghese , Singh Sunaina , Mutter Andrew C. , Everson Bernard H. , Cerda Jose F. , Koder Ronald L. 
Published: September 2014

AbstractElectron‐poor 15N‐safranine analogues are prepared via Ullmann coupling.
ChemInform Abstract: Rhodium(II)‐Catalyzed Intramolecular Annulation of 1‐Sulfonyl‐1,2,3‐triazoles with Pyrrole and Indole Rings: Facile Synthesis of N‐Bridgehead Azepine Skeletons.
Authors: Yang Jin‐Ming , Zhu Cheng‐Zhi , Tang Xiang‐Ying , Shi Min 
Published: September 2014

AbstractA wide range of substituted pharmaceutically and biologically relevant azepine products is constructed.
ChemInform Abstract: Fluorinated NH‐Iminophosphonates and Iminocarboxylates: Novel Synthons for the Preparation of Biorelevant α‐Aminophosphonates and Carboxylates.
Authors: Rassukana Yuliya V. , Yelenich Ivanna P. , Synytsya Anatoly D. , Onys'ko Petro P. 
Published: September 2014

AbstractPreviously unknown N—H α‐imino(fluoromethyl)phosphonates and ‐carboxylates (I) are synthesized and functionalized by reactions with O‐, S‐, N‐ and P‐nucleophiles to furnish biorelevant fluorinated aminophosphonates and ‐carboxylates.
ChemInform Abstract: Biorational Synthesis of Iridomyrmecin Diastereomers from Catnip Oil.
Authors: Chauhan Kamlesh R. , Schmidt Walter 
Published: September 2014

AbstractFour diastereomers of the insecticide iridomyrmecin are prepared in five steps from naturally occurring nepetalactones, which are isolated from catnip oil.
ChemInform Abstract: New Nitrogenous Bisabolene‐Type Sesquiterpenes from a Formosan Sponge Axinyssa sp.
Authors: Liu Wangta , Liang Kai‐Ju , Chiang Ching‐Ying , Lu Mei‐Chin , Su Jui‐Hsin 
Published: September 2014

AbstractFive nitrogenous bisabolene‐type sesquiterpenes including the two new compounds axinysalines A (I) and B (II) are isolated from a Formosan sponge Axinyssa sp.
ChemInform Abstract: Sanguinamide B Analogues: Identification of Active Macrocyclic Structures.
Authors: Wahyudi Hendra , Tantisantisom Worawan , McAlpine Shelli R. 
Published: September 2014

AbstractSeveral analogues of sanguinamide B (Ia) are synthesized and their inhibition activity against cell proliferation HCT‐116 drug resistant colon cancer cell lines are tested.
ChemInform Abstract: C—N Bond Formation via Cu‐Catalyzed Cross‐Coupling with Boronic Acids Leading to Methyl Carbazole‐3‐carboxylate: Synthesis of Carbazole Alkaloids.
Authors: Rasheed Sk. , Rao D. Nageswar , Reddy K. Ranjith , Aravinda S. , Vishwakarma Ram A. , Das Parthasarathi 
Published: September 2014

AbstractCopper catalyzed N‐arylation of iodoarenes with boronic acids followed by palladium catalyzed intramolecular C‐H arylation provides carbazole‐3‐carboxylates including the naturally occurring alkaloids Clausine C (IVg), H (IVf) and L (IVe).
ChemInform Abstract: Further Biphenyl Lignans with a Tetrahydrofuran Moiety from Gymnotheca chinensis
Authors: Xiao Shiji , He Dahai , Fang Dongmei , Chen Fang , Ding Lisheng , Zhou Yan 
Published: September 2014

Abstractisolation and structure elucidation of four new atropisomeric biphenyl lignans, gymnothelignans P—S
ChemInform Abstract: Antiinflammatory Components of Euphorbia humifusa Willd.
Authors: Luyen Bui Thi Thuy , Tai Bui Huu , Thao Nguyen Phuong , Eun Kim Ji , Cha Ji Yun , Xin Ming Jie , Lee Young Mi , Kim Young Ho 
Published: September 2014

AbstractTwo new compounds, euphorbinoside (I) and dehydropicrorhiza acid methyl ester (II), are isolated from Euphorbia humifusa along with 24 known compounds.
ChemInform Abstract: Reactions of Metallocarbenes Derived from N‐Sulfonyl‐1,2,3‐triazoles
Authors: Davies Huw M. L. , Alford Joshua S. 
Published: September 2014

AbstractReview: such as transannulation reactions to generate new heterocycles, cyclopropanation and subsequent ring expansions, ylide formation with subsequent rearrangements, and C—H functionalization; 55 refs.
Dysmyelination with preservation of transverse bands in a long‐lived allele of the quaking mouse
Authors: Chaverneff Florence , Mierzwa Amanda , Weinstock Michael , Ketcham Maren , Lang Eric J. , Rosenbluth Jack 
Published: September 2014

ABSTRACTThe new mutant mouse shaking (shk) differs from other “myelin mutants” in having a more stable neurological impairment and a much longer lifespan. We have shown that transverse bands (TBs), the component of the paranodal junction (PNJ) that attaches the myelin sheath to the axon, are present in the shk central nervous system (CNS), in contrast to more severely affected mutants, in which TBs are absent or rare. We have proposed that TBs are the major determinant underlying shk neurological stability and longevity. Here we report that TBs are abundant not only in the shk CNS but also in its peripheral nervous system (PNS), which, as in other “myelin mutants”, is not as severely dysmyelinated as the CNS but does display structural abnormalities likely to affect impulse propagation. In particular, myelin sheaths are thinner than normal, and some axonal segments lack myelin sheaths entirely. In addition, we establish that the shk mutation, previously localized to chromosome 17, is a quaking (qk) allele consisting of a 105‐nucleotide insertion in the qk regulatory region that decreases qk transcription but does not extend to the Parkin and Parkin coregulated genes, which are affected in the qk allele. We conclude that: 1) dysmyelination is less severe in the shk PNS than in the CNS, but TBs, which are present in both locations, stabilize the PNJs and prevent the progressive neurological deficits seen in mutants lacking TBs; and 2) the insertional mutation in shk mice is sufficient to produce the characteristic neurological phenotype without involvement of the Parkin and Parkin coregulated genes. J. Comp. Neurol. 523:197–208, 2015. © 2014 Wiley Periodicals, Inc.
Identification and distribution of SIFamide in the nervous system of the desert locust Schistocerca gregaria
Authors: Gellerer Alina , Franke Aileen , Neupert Susanne , Predel Reinhard , Zhou Xin , Liu Shanlin , Reiher Wencke , Wegener Christian , Homberg Uwe 
Published: September 2014

ABSTRACTSIFamides are a family of highly conserved arthropod neuropeptides. To date, nine orthocopies from different arthropods, most of them insects, have been identified, all consisting of 11–12 amino acid residues. The striking conservation in sequence is mirrored by highly similar morphologies of SIFamide‐immunoreactive neurons: immunolabeling in various insect species revealed four immunopositive neurons with somata in the pars intercerebralis and arborizations extending throughout the brain and ventral nervous system. In contrast, the functional role of these neurons and their neuropeptide SIFamide is largely obscure. To provide an additional basis for functional analysis, we identified, by matrix‐assisted laser desorption/ionization time of flight (MALDI–TOF) mass spectrometry, a SIFamide peptide in the desert locust Schistocerca gregaria and studied its distribution throughout the nervous system. Identification was supported by analysis of transcriptomic data obtained from another grasshopper, Stenobothrus lineatus. Scg‐SIFamide, unlike all SIFamides identified so far, is a pentadecapeptide with an extended and highly modified N‐terminus (AAATFRRPPFNGSIFamide). As in other insects, pairs of descending neurons with somata in the pars intercerebralis and ramifications in most areas of the nervous system are SIFamide‐immunoreactive. In addition, a small number of local interneurons in the brain and ventral ganglia were immunostained. Double‐label experiments showed that the SIFamide‐immunoreactive descending neurons are identical to previously characterized primary commissure pioneer (PNP) neurons of the locust brain that pioneer the first commissure in the brain. The data suggest that the descending SIFamide‐immunoreactive neurons play a developmental role in organizing the insect central nervous system. J. Comp. Neurol. 523:108–125, 2015. © 2014 Wiley Periodicals, Inc.
Curcumin Inhibits the Proliferation and Invasiveness of MHCC97‐H Cells via p38 Signaling Pathway
Authors: Zhang Kai , Rui Xiaojiang , Yan Xi 
Published: September 2014

Abstract

Preclinical Research

Curcumin has been reported to be effective as a cancer therapy. However, the anti‐metastatic effect and molecular mechanism(s) of curcumin in hepatocellular carcinoma (HCC) remain poorly understood. The purpose of this study was to test the effects of curcumin on HCC and its putative mechanism(s). Curcumin inhibited the proliferation of HCC cells and inhibited the migration and invasion of these cells at sub‐cytotoxic concentrations. Curcumin also decreased the expression and activity of matrix metalloproteinases (MMP)‐2 and MMP‐9, and reduced p38 phosphorylation. Combination treatment of HCC cells with curcumin and SB203580 (a p38 signaling pathway inhibitor), generated a synergistic effect on the expression of MMP‐2 and MMP‐9, suggesting that the anti‐metastatic effect of curcumin on HCC may involve a p38 signaling pathway.
Opportunities and Challenges Provided by Cloud Repositories for Bioinformatics‐Enabled Drug Discovery
Authors: Dalpé Gratien , Joly Yann 
Published: September 2014

Abstract

Strategy, Management and Health Policy

Enabling Technology, Genomics, Proteomics
Preclinical Research
Postmarketing Phase IV

Healthcare‐related bioinformatics databases are increasingly offering the possibility to maintain, organize, and distribute DNA sequencing data. Different national and international institutions are currently hosting such databases that offer researchers website platforms where they can obtain sequencing data on which they can perform different types of analysis. Until recently, this process remained mostly one‐dimensional, with most analysis concentrated on a limited amount of data. However, newer genome sequencing technology is producing a huge amount of data that current computer facilities are unable to handle. An alternative approach has been to start adopting cloud computing services for combining the information embedded in genomic and model system biology data, patient healthcare records, and clinical trials' data. In this new technological paradigm, researchers use virtual space and computing power from existing commercial or not‐for‐profit cloud service providers to access, store, and analyze data via different application programming interfaces. Cloud services are an alternative to the need of larger data storage; however, they raise different ethical, legal, and social issues. The purpose of this Commentary is to summarize how cloud computing can contribute to bioinformatics‐based drug discovery and to highlight some of the outstanding legal, ethical, and social issues that are inherent in the use of cloud services.
Epigenomic Networking in Drug Development: From Pathogenic Mechanisms to Pharmacogenomics
Authors: Cacabelos Ramón 
Published: September 2014

Abstract

Preclinical Research

Different epigenetic alterations (DNA methylation, histone modifications, chromatin remodeling, noncoding RNA dysregulation) are associated with the phenotypic expression of complex disorders in which genomic, epigenomic, proteomic, and metabolomic changes, in conjunction with environmental factors, are involved. As epigenetic modifications are reversible and can be potentially targeted by pharmacological and dietary interventions, a series of epigenetic drugs have been developed, including DNA methyltransferase inhibitors (nucleoside analogs, small molecules, bioproducts, antisense oligonucleotides, miRNAs), histone deacetylase inhibitors (short‐chain fatty acids, hydroxamic acids, cyclic peptides, benzamides, ketones, sirtuin inhibitors, sirtuin activators), histone acetyltransferase modulators, histone methyltransferase inhibitors, histone demethylase inhibitors, and noncoding RNAs (miRNAs), with potential effects against myelodysplastic syndromes, different types of cancer, and neurodegenerative disorders. Pharmacogenetic and pharmacoepigenetic studies are required for the proper evaluation of efficacy and safety issues in clinical trials with epigenetic drugs.
Correcting Transcription Factor Gene Sets for Copy Number and Promoter Methylation Variations
Authors: Rathi Komal S. , Gaykalova Daria A. , Hennessey Patrick , Califano Joseph A. , Ochs Michael F. 
Published: September 2014

Abstract

Preclinical Research

Gene set analysis provides a method to generate statistical inferences across sets of linked genes, primarily using high‐throughput expression data. Common gene sets include biological pathways, operons, and targets of transcriptional regulators. In higher eukaryotes, especially when dealing with diseases with strong genetic and epigenetic components such as cancer, copy number loss and gene silencing through promoter methylation can eliminate the possibility that a gene is transcribed. This, in turn, can adversely affect the estimation of transcription factor or pathway activity from a set of target genes, as some of the targets may not be responsive to transcriptional regulation. Here we introduce a simple filtering approach that removes genes from consideration if they show copy number loss or promoter methylation, and demonstrate the improvement in inference of transcription factor activity in a simulated dataset based on the background expression observed in normal head and neck tissue.
Genetic Findings in Obsessive–Compulsive Disorder Connect to Brain‐Derived Neurotropic Factor and Mammalian Target of Rapamycin Pathways: Implications for Drug Development
Authors: Grados Marco , Sung Hyung Mo , Kim Sejin , Srivastava Siddharth 
Published: September 2014

Abstract

Preclinical Research

Traditional pharmacological approaches to the treatment of obsessive–compulsive disorder (OCD) are based on affecting serotonergic and dopaminergic transmission in the central nervous system. However, genetic epidemiology findings are pointing to glutamate pathways and developmental genes as etiological in OCD. A review of recent genetic findings in OCD is conducted, and bioinformatics approaches are used to locate pathways relevant to neuroprotection. The OCD susceptibility genes DLGAP1, RYR3, PBX1‐MEIS2, LMX1A and candidate genes BDNF and GRIN2B are components of the neuronal growth, differentiation and neurogenesis pathways BDNF‐mTOR. These pathways are emerging as a promising area of research for the development of neuroprotective pharmaceuticals. Emergent genetic epidemiologic data on OCD and repetitive behaviors may support new approaches for pharmacological discovery. Neuroprotective approaches that take into consideration glutamate‐mediated BDNF‐mTOR pathways are suggested by OCD susceptibility genes.
Microarray Gene and miRNA Expression Studies: Looking for New Therapeutic Targets for Frontotemporal Lobar Degeneration
Authors: Milanesi Elena , Pilotto Andrea 
Published: September 2014

Abstract

Preclinical Research

Frontotemporal lobar degeneration (FTLD) encompasses a spectrum of neurodegenerative disorders characterized by behavioral, executive and language impairment, with a common overlap with parkinsonism and motor‐neuron disease. Despite an increased understanding of its genetic background and molecular pathophysiology, FTLD is still an orphan disorder and there are currently no effective therapies available. In this brief overview we report the results obtained by several high‐throughput and bioinformatic studies aimed at discovering impairment in the transcriptional profiles in brain and peripheral tissues from FTLD patients and in animal models. Taken together, all these results provide an interesting but still fragmentary list of genes and miRNAs whose role in FTLD should be thoroughly investigated.
Advancing Cancer Patient Care by Integrating Circulating Tumor Cell Technology to Understand the Spatial and Temporal Dynamics of Cancer
Authors: Rodriguez‐Lee Mariam , Kuhn Peter , Webb David R. 
Published: September 2014

Abstract

Preclinical Research

Spatial and temporal dynamics of cancer, studied with physical science approaches at critical transition points of the disease can provide insight into the biology of cancer and the evolutionary changes that occur both naturally and in response to therapy. A very promising development in translational cancer medicine has been the emergence of circulating tumor cells (CTC) as minimally invasive “liquid biopsies.” We envision that the future utility of CTC will not simply be confined to enumeration, but also include their routine characterization using a high‐content approach that investigates morphometrics, protein expression and genomic profiling. This novel approach guided by mathematical models to predict the spread of disease from the primary site to secondary site can bring the bench to the bedside for cancer patients. It is agnostic with reference to drug choice and treatment regimen, which also means that each patient is unique. The approach is Bayesian from a data collection perspective and is patient‐centric rather than drug or new chemical entity–centric. The analysis of data comes from an understanding of commonalities and differences that are detected among patients with a given cancer type. Thus, patients are treated over the course of their disease with various drug regimens that reflects our real‐time understanding of their evolving tumor genomics and response to treatment. This likely means that smaller cohorts of patients receive any given regimen but we hypothesize that it would lead to better patient outcomes than with the current classic approach to drug testing and development.
Nickel and Copper Complexes of Pyrrolecarboxamide Ligands – Stabilization of M3+ Species and Isolation of Ni3+ Complexes
Authors: Kumar Sushil , Munjal Megha , Singh Jyoti , Gupta Rajeev 
Published: September 2014

AbstractWe report NiII and CuII complexes of a few pyrrolecarboxamide ligands containing –H, –Cl, and –CH3 substituents on the phenylene ring. Solid‐state X‐ray diffraction and solution‐based spectral studies substantiated a square‐planar geometry around the metal ions in all six of the MII complexes. Electrochemical studies showed that the electronic substituents considerably influence the M3+/2+ redox potentials. All of the complexes exhibit considerably low M3+/2+ redox potentials owing to their tetraanionic coordination environments. Chemical and/or electrochemical oxidation has resulted in the isolation of Ni3+ complexes and the generation of Cu3+ species. The spectroscopic studies revealed square‐planar geometries around the metal ions in the resultant Ni3+ and Cu3+ complexes.
TiO2/Eu3+ Thin Films with High Photoluminescence Emission Prepared by Electrophoretic Deposition from Nanoparticulate Sols
Authors: Borlaf Mario , Colomer María T. , de Andrés Alicia , Cabello Fátima , Serna Rosalia , Moreno Rodrigo 
Published: September 2014

AbstractThe light emission properties of anatase TiO2/Eu3+ thin films prepared by electrophoretic deposition and of the corresponding precursor nanoparticulate sols and xerogels with different Eu3+ contents are reported. Transparent anatase TiO2 thin films were successfully obtained by electrophoretic deposition after dilution of the original sols with ethanol in order to inhibit the water hydrolysis and facilitate the drying process. The topography of the films shows a high homogeneous distribution in terms of grain size and roughness of the surface of the thin films. The film thickness varied from 50 nm to 800 nm and it was found to be strongly dependent on the Eu3+ content of the sols, probably because of uncompensated electrical charges provided by Eu3+ ions located at the surface of the nanoparticles. A spontaneous densification of the films occurs at a thickness above 400 nm and, concomitantly, a significant increase of the Eu3+ emission efficiency is detected.
Efficient Hybrid‐Type CO2 Adsorbents of Reassembled Layered Double Hydroxide 2D Nanosheets with Polyoxometalate 0D Nanoclusters
Authors: Gunjakar Jayavant L. , Kim In Young , Hwang Seong‐Ju 
Published: September 2014

AbstractPorous nanohybrids of cationic Mg‐Al‐LDH 2D nanosheets and anionic polyoxometalate (POM, V10O286– and W7O246–) 0D nanoclusters are synthesized by an exfoliation–reassembling process. The electrostatically derived reassembling between two kinds of nanostructures yields a layer‐by‐layer‐ordered intercalation structure with porous structures composed of mesopores and micropores. The hybridization with POM leads to the remarkable enhancement of CO2 adsorption capacity (adsorptivity) of Mg‐Al‐LDH by about 10‐fold. Of prime importance is that the CO2 adsorptivity of the nanohybrid is strongly dependent on the type of guest POM species, strongly suggesting that the CO2 adsorptivity of the LDH‐based nanohybrid materials can be optimized by ones selection of guest species. The present study clearly demonstrates that the exfoliation–reassembling method is quite effective at enabling synthesis of new LDH nanosheet‐based hybrid materials with improved CO2 adsorption capabilities.
Barium Titanate Torus‐Like Particles: Low‐Temperature Synthesis and Formation Mechanism
Authors: Maxim Florentina , Poenaru Iuliana , Teodorescu Florina , Tanasescu Speranta 
Published: September 2014

AbstractThis work aims to clarify the mechanism of formation of torus‐like barium titanate (BaTiO3) particles with a view to evaluating the properties of these hollow perovskite oxide crystals. Crystalline BaTiO3 powders have been synthesized by hydrothermal treatment of titanium‐based nanotubes and barium chloride in alkaline media at 90, 110 and 200 °C for various reaction times. The possibility of obtaining hollow barium titanate particles at intermediate stages of crystallization by a low‐temperature template‐free process is demonstrated. The formation of a hollow in the centre of the particles is attributed to the Kirkendall effect associated with the different diffusion rates of Ba2+ and Ti4+ hydrothermal species through the (010) crystallographic plane of the BaTiO3 lattice and with the formation of vacancies.