cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
Bridging Pharmaceutical Analysis with Computational Chemistry to Ascertain the Pharmacokinetic and Toxicological Profiling of Febuxostat and its Diacid Impurity
Creators: name: Sonawane, Sandeep S.
name: Deore, Abhijit S.
name: Jadhav, Kirti B.
name: Khapare, Prachi A.
name: Laddha, Umesh D.
name: Patil, Moreshwar P.
name: Chhajed, Santosh S.
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biochemistry
subject: Genetics
subject: FOS: Biological sciences
subject: Pharmacology
subject: Biotechnology
subject: 59999 Environmental Sciences not elsewhere classified
subject: FOS: Earth and related environmental sciences
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: Cancer

description: Drug degradation may change the pharmacological action and results in altered therapeutic and toxicological profile of drug. Identification of degradation product is good opportunity in the drug discovery, as non-toxic impurities can be considered for the new pharmacological potentials. Additionally, development of computer based in-silico model and methods further assist in prediction of pharmacokinetic, dynamic as well as biological activities which make drug discovery process more unfailing. In present work, Febuxotat (FEB) was subjected to forced degradation experiments and the formed degradation products were separated and resolved using optimized HPLC method. Further the study was extended to enrich its alkali degradation product and was ascertained using 1H NMR spectroscopy and mass spectrometry. The ADME/Toxicological properties of alkali degradation product were determined by using Admet SAR 2.0. The method was validated as per ICH guidelines Q2 (R1). In forced degradation experiments, substantial degradation of FEB was observed under acid, alkali, wet heat, dry heat and oxidative conditions, however, FEB was found stable to photolytic conditions. The drug and its formed degradation products separated and resolved from each other on Waters SunFire C8 (250 × 4.6 mm, 5 µm) column using blend of methanol: 20 mM potassium phosphate buffer (pH 3.0) (80: 20 % v/v). From the 1H NMR spectroscopy and mass spectrometry the enriched alkali degradation product was confirmed as 2-[3-carboxy-4-(2-methylpropoxy) phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid (diacid FEB). Febuxostat and diacid Febuxostat was found non-toxic for carcinogenicity (binary), eye corrosion, eye irritation and Ames mutagenesis during ADME/Tox studies. However, both were found hepatotoxic. A simple, accurate, precise, and robust stability indicating HPLC method was developed and validated for the estimation of FEB in bulk and tablet dosage form. Based on ADME/Tox both were found to hepatotoxic. Henceforth, based on our evidences, one should use FEB with precaution in patient suffering from liver disease.
A Emissora Nacional: das emissões experimentais à oficialização (1933-1936)
Creators: name: Ribeiro, Nelson
Publisher: name: Comunicação & Cultura
Year: 2007

description: Em Portugal, o nascimento da radiodifusão oficial surge na década de 1930, após um período marcado por um monopólio de iniciativas privadas. Coincidindo no tempo com a fase de afirmação do Estado Novo, os primeiros anos da Emissora Nacional ficariam marcados por questões técnicas e por uma intensa luta pelo controlo da estação. No decorrer do período experimental são desde logo visíveis as várias tendências que, no interior do regime, procuram definir o papel que a radiodifusão oficial deve assumir como meio de divulgação do ideário do Estado Novo. São essas tendências que o presente artigo procura apresentar, fornecendo também alguns dados sobre o tipo de conteúdos emitidos pela Emissora Nacional.
description: Comunicação & Cultura, n. 3 (2007): Comunidade mobilidade
Supplementary Material for: Donor-Specific Anti-Human Leukocyte Antigens Antibodies, Acute Rejection, Renal Function, and Histology in Kidney Transplant Recipients Receiving Tacrolimus and Everolimus
Creators: name: Ferreira, A.
name: Felipe, C.
name: Cristelli, M.
name: Viana, L.
name: Basso, G.
name: Stopa, S.
name: Mansur, J.
name: Ivani, M.
name: Bessa, A.
name: Ruppel, P.
name: Aguiar, W.
name: Campos, E.
name: Gerbase-DeLima, M.
name: Proença, H.
name: Tedesco-Silva, H.
name: Medina-Pestana, J.
Publisher: name: Karger Publishers
Year: 2017
Subjects: Medicine

description: Background: This analysis compared efficacy, renal function, and histology in kidney transplant recipients receiving tacrolimus (TAC) combined with everolimus (EVR) or mycophenolate (MPS). Methods: This was a retrospective analysis from a randomized trial in kidney transplant recipients who received a single 3 mg/kg dose of rabbit antithymocyte globulin (r-ATG), TAC, EVR, and prednisone (PRED; r-ATG/EVR, n = 85), basiliximab (BAS), TAC, EVR, and PRED (BAS/EVR, n = 102) or BAS, TAC, MPS, and PRED (BAS/MPS, n = 101). We evaluated the incidence of de novo donor-specific anti-human leukocyte antigens antibodies (DSA) and histology on protocol biopsies at 12 months, and the incidence of acute rejection, estimated glomerular filtration rate (eGFR) and proteinuria at 36 months. Results: At 12 months, there were no differences in de novo DSA (6.4 vs. 3.4 vs. 5.5%) or in subclinical inflammation (2.0 vs. 4.8 vs. 10.2%), interstitial fibrosis/tubular atrophy (57.1 vs. 58.5 vs. 53.8%) and C4d deposition (2.0 vs. 7.3 vs. 2.6%). At 36 months, there were no differences in the incidence of treatment failure (19.0 vs. 27.7 vs. 27.7%, p = 0.186), first biopsy-proven acute rejection (9.5 vs. 21.8 vs. 16.8%, p = 0.073), and urine protein/creatinine ratios (0.53 ± 1.05 vs. 0.62 ± 0.75 vs. 0.71 ± 1.24). eGFR was lower in the BAS/EVR compared to that in the BAS/MPS group (53.4 ± 20.9 vs. 50.8 ± 19.5 vs. 60.7 ± 21.2 mL/min/1.73 m2, p = 0.017) but comparable using a sensitive analysis (49.5 ± 23 vs. 47.5 ± 22.6 vs. 53.6 ± 27.8 mL/min/1.73 m2, p = 0.207). Conclusion: In this cohort, the use of EVR and reduced TAC concentrations were associated with comparable efficacy, renal function, and histological parameters compared to the standard-of-care immunosuppressive regimen.
Theoretical study on complexation of the perchlorate, permanganate, pertechnate and perrhenate anions with dodecabenzylbambus[6]uril
Creators: name: Böhm, Stanislav
name: Makrlík, Emanuel
name: Vaňura, Petr
Publisher: name: Taylor & Francis
Year: 2017
Subjects: subject: Biophysics
subject: Biochemistry
subject: Space Science
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: 19999 Mathematical Sciences not elsewhere classified
subject: FOS: Mathematics
subject: Hematology

description: By using quantum chemical calculations, the most probable structures of the anionic complex species dodecabenzylbambus[6]uril–ClO4−, dodecabenzylbambus[6]uril–MnO4−, dodecabenzylbambus[6]uril–TcO4− and dodecabenzylbambus[6]uril–ReO4− were derived. In these four complexes, each of the considered anions, included in the macrocyclic cavity, is bound by 12 weak hydrogen bonds between methine hydrogen atoms on the convex face of glycoluril units and the respective anion. Further, the corresponding interaction energies of the investigated four anionic complexes were calculated; the absolute values of these calculated energies increase in the series of ReO4− < TcO4− < MnO4− < ClO4−.
Para uma semiótica do terror (branco): em torno de O Terrorista de John Updike
Creators: name: Mourão, José Augusto
Publisher: name: Comunicação & Cultura
Year: 2007

description: Este artigo analisa o romance de John Updike O Terrorista, na sua versão portuguesa, do ponto de vista estritamente semiótico. Chama-se a atenção para a estrutura narrativa da obra, que revela simultaneamente a sua estratégia e o sistema de valores em que assenta. O Terrorista é, ao fim e ao cabo, uma narrativa deceptiva, isto é, uma narrativa sem resolução. De facto, o seu grande mérito está na discussão da questão do terrorismo sem a resolver. Como compete, de resto, à Literatura.
description: Comunicação & Cultura, n. 4 (2007): Terror e terrorismos
Binding and Photocleavage Studies of Ru (II) Polypyridyl Complexes with DNA: An In Silico and Antibacterial activity
Creators: name: Nambigari, Navaneetha
name: Kodipaka, Aruna
name: Vuradi, Ravi Kumar
name: Airva, Praveen Kumar
name: Sirasani, Satyanarayana
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biophysics
subject: Biochemistry
subject: Space Science
subject: Microbiology
subject: FOS: Biological sciences
subject: Cell Biology
subject: Genetics
subject: Molecular Biology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: Cancer

description: The global crisis of bacterial infections, search for an effective antibacterial is of utmost clinical significance. Experimental and computational approaches used to study the DNA binding of [Ru(A)2L] (ClO4)2.2H2O, where A=ancillary ligand; phen=1, 10 Phenanthroline (1), dmp=4,4’-dimethyl-1,10 -orthophenanthroline (2), bpy = bipyridyl (3) & dmb=4, 4’-dimethyl 2, 2’- bipyridine (4), Lis a novel intercalator ligand MPPIP=(2-(1-(2-methoxyphenyl)-1H-pyrazol-4-yl)-1H-imidazo [4,5-f][1,10]Phenanthroline) and their antibacterial activity. The synthesized complexes and their DNA affinity studies were executed by absorption, emission, and viscosity techniques to show binding via intercalation. The intrinsic binding constant, Kb indicates that the simple ancillary ligands (phen and bpy) are more robust binding. The 3D Conformational analysis shows slight distortion from octahedron geometry. The molecular descriptors calculated from the frontier molecular orbital energy gap, ΔE point that the complex of phen show higher binding with DNA. Further analysis of the molecular attributes show that the pyrazole ring of the intercalator Ligand is significant for DNA binding. Furthermore, the molecular docking studies of the Ru (II)-MPPIP complexes with DNA exhibit an inclination towards Guanine-rich sites by the Nitrogen of the pyrazole ring. Biological investigations establish that all the complexes were active against S. aureus and E. coli.
Terrores nocturnos: a noite e a estética noir em Edgar Allan Poe
Creators: name: Gil, Isabel Capeloa
Publisher: name: Comunicação & Cultura
Year: 2007

description: Partindo de uma discussão acerca da modernidade escópica, o ensaio discute a pedagogia dos limites associada à noite na teoria cultural e filosófica e o modo como a penetração do espaço nocturno veio modificar a relação do sujeito com o mundo na era moderna, ancorando-se numa análise representativa de textos de Edgar Allan Poe. A tecnologia da luz articula-se com a tecnologia da visão num modelo de progresso eufórico contestado nos seus traços ambivalentes no espaço literário, ou mais tarde no cinema. Sem defender uma relação de causalidade, o artigo equaciona a relação entre o ambiente criado visualmente pela literatura de terror do século xix e a estética fílmica. A literatura de terror de Edgar Allan Poe apresenta-se como contra-discurso desta modernidade eufórica e anuncia uma estética visual obscura, que, no século xx, através de um processo de remediação (Grusin/Bolter), se vai configurar no discurso ominoso do film noir.
description: Comunicação & Cultura, n. 4 (2007): Terror e terrorismos
A ira dos espectros inúteis: o terror em duas variações contemporâneas do Macbeth, de Shakespeare
Creators: name: Quadrio, Miguel-Pedro
Publisher: name: Comunicação & Cultura
Year: 2007

description: Parte-se da noção de ira como motor da História, que Peter Sloterdijk desenvolve no artigo «Os novos frutos da ira: Pós-comunismo, Neoliberalismo e Islamismo» (in O Estado do Mundo, Lisboa: Fundação Calouste Gulbenkian, 2006). Face à centralidade holística do capitalismo contemporâneo, sigo Sloterdijk quando afirma esgotado o potencial ameaçador e regulador da «energia timótica» comunista. Os espectros irados que alimentaram, a contrario, o modelo social europeu volveram-se, assim, em «espectros inúteis» (Richard Sennett), marginalizados por uma constante ameaça avaliativa. O terrorismo islamita não renova, pois, uma ira produtiva, constituindo antes uma outra face deste novo vazio (conceito que impulsiona a necessidade de reconhecimento intersubjectivo, relacionada aqui com duas variações recentes sobre a peça Macbeth, de Shakespeare).
description: Comunicação & Cultura, n. 4 (2007): Terror e terrorismos
Betti Base as an Efficient Ligand for Copper-Catalyzed Ullmann Coupling of Phenol with Aryl Halides
Creators: name: Yang, Li
name: Yang, Qichao
name: Shi, Jianxin
name: Wang, Yufang
name: Zhang, Mingjie
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorised

description: A simple, general, and highly efficient Betti base ligand has been developed for copper-catalyzed Ullmann coupling of phenol with aryl halides without the protection of an inert atmosphere. The reaction proceeds smoothly in the presence of K2CO3 as the base and dimethylsulfoxide as the solvent. The catalyst was reused several times with no evident loss of catalytic activity and is environmentally friendly.
MOESM1 of TRIM52 promotes colorectal cancer cell proliferation through the STAT3 signaling
Creators: name: Pan, Shengli
name: Deng, Yingying
name: Fu, Jun
name: Zhang, Yuhao
name: Zhang, Zhijin
name: Ru, Xiaokun
name: Qin, Xianju
Publisher: name: figshare
Year: 2019
Subjects: subject: Biochemistry
subject: Space Science
subject: Medicine
subject: Cell Biology
subject: Molecular Biology
subject: Sociology
subject: FOS: Sociology
subject: Biological Sciences not elsewhere classified
subject: Information Systems not elsewhere classified
subject: Developmental Biology
subject: Cancer

description: Additional file 1. Additional table and figure.
Três proposições sobre a guerra e a democracia
Creators: name: Gaspar, Carlos
Publisher: name: Comunicação & Cultura
Year: 2007

description: A relação essencial entre a guerra e as democracias pluralistas foi definida por Kant na sua tese sobre a possibilidade de uma paz duradoura entre os príncipes republicanos. Mas as democracias não são pacíficas e continuam a fazer a guerra contra as autocracias. Nesse contexto, podem enunciar-se três proposições adicionais sobre as formas republicanas da guerra. Primeira proposição: as democracias têm uma grande dificuldade em entrar em guerra e também em pôr fim à sua intervenção. Segunda proposição: as democracias revelam-se incapazes de travar a guerra com moderação. Terceira proposição: as democracias insistem na mudança de regime político nos Estados contra os quais fazem a guerra como uma forma de legitimar a sua intervenção militar.
description: Comunicação & Cultura, n. 4 (2007): Terror e terrorismos
Televisión pública y 11-M: la información sobre terrorismo en campaña electoral
Creators: name: Paz, Nuria Quintana
Publisher: name: Comunicação & Cultura
Year: 2007

description: Depois dos atentados islamistas do 11 de Março de 2004 em Madrid, numerosos estudos do âmbito da comunicação tentaram resolver algumas questões. Um dos focos de atenção foi o tratamento informativo dos meios de comunicação nos dias posteriores ao massacre. No entanto, ignorou-se a cobertura informativa realizada anteriormente ao 11-M. Que relevância se atribuiu à informação sobre terrorismo internacional naqueles dias? O desconcerto político resultou equiparável ao da agenda dos meios de comunicação? Que importância se deu às informações sobre a ETA para que as primeiras suspeitas a apontassem como responsável? O objectivo deste artigo centra-se em responder a estas perguntas mediante o estudo do tratamento informativo da televisão pública espanhola (TVE) nos dias prévios ao atentado.
description: Comunicação & Cultura, n. 4 (2007): Terror e terrorismos
Terror armado, terror sin armas: «Programa de Paz y Reconciliación» de la Alcaldía de Medellín y desmovilización de combatientes (2004-2006)
Creators: name: Nieto, Pedro Rivas
name: García, Pablo Rey
Publisher: name: Comunicação & Cultura
Year: 2007

description: Este artigo pressupõe uma reflexão sobre o processo de reconstrução de um Estado com características e problemas tão peculiares e intrínsecos como os da Colômbia. A relação dual e tormentosa entre a guerrilha e os cartéis do narcotráfico, com um pano de fundo em que as forças de segurança estão dependentes de um Estado desestruturado, configura o ponto de partida para uma iniciativa pioneira na cidade de Medellín: o Programa de Paz e Reconciliação, levado a cabo pelo município e que procura reintegrar os combatentes na vida civil. A explicação do modelo, com as suas dificuldades e êxitos, assim como uma breve anotação final sobre a importância dos meios de comunicação são alguns dos pontos a que o artigo faz referência.
description: Comunicação & Cultura, n. 4 (2007): Terror e terrorismos
De Bologna a Bolonha: novecentos anos de graus e símbolos académicos
Creators: name: Faria, Luísa Leal De
Publisher: name: Comunicação & Cultura
Year: 2007

description: Oração de Sapiência proferida na Universidade Católica Portuguesa no dia 4 de Outubro de 2007.
description: Comunicação & Cultura, n. 4 (2007): Terror e terrorismos
As imagens que nos aprisionam e a escapada a partir do corpo: sobre Dietmar Kamper
Creators: name: Filho, Ciro Marcondes
Publisher: name: Comunicação & Cultura
Year: 2007

description: Na área de comunicação, Dietmar Kamper é um outsider. Para ele, nossa nova Caverna é o universo das imagens, prisão da qual aparentemente não há saída. Buscamos as imagens porque temos uma «ferida inicial»: queremos retornar ao útero materno e não podemos. Ao mesmo tempo, tampouco queremos avançar no mundo. As imagens nos livram das dores do mundo, tornam suportável o insuportável e também nos alimentam. Lacan usou-se do espelho como símbolo da fragmentação, mas, para Kamper, a televisão vai muito além dele: ela substitui o fluxo de tempo pelo fluxo de pontos. A saída da caverna das imagens não ocorre pelas máquinas (o simbólico), por Deus (o imaginário), mas sim pelo corpo (o real). É a única coisa que é inacessível aos media. Mas não qualquer corpo, apenas o corpo como «teatro sem diretor», o corpo pré-lingüístico, o corpo que sente o mundo. Virar as declarações mediáticas contra elas mesmas, optar pelo silêncio que grita, trocar a luminosidade pelo lusco-fusco e, acima de tudo, escrever para denunciar o que está aí.
description: Comunicação & Cultura, n. 4 (2007): Terror e terrorismos
Radionuclides in groundwater, rocks and stream sediments in Austria—results from a recent survey
Creators: name: Schubert, Gerhard
name: Berka, Rudolf
name: Katzlberger, Christian
name: Motschka, Klaus
name: Denner, Monika
name: Grath, Johannes
name: Philippitsch, Rudolf
Publisher: name: Geological Society of London
Year: 2017
Subjects: subject: Geology
subject: FOS: Earth and related environmental sciences

description: The explanatory notes `Erläuterungen zur Geologischen Themenkarte Radionuklide in Grundwässern, Gesteinen und Bachsedimenten Österreichs 1:500 000' (Berka et al. 2014b) documents the source of the measurements displayed on the map and give some interpretation. It should be pointed out that table 4.3 in these explanatory notes gives citations concerning the uranium mineralisations displayed in the map and table 4.7 concerning the uranium whole rock analyses shown in it.
Feasibility assessment of waste banana peduncle as feedstock for biofuel production
Creators: name: Pazmiño-Hernandez, Marco
name: Moreira, Cesar M.
name: Pullammanappallil, Pratap
Publisher: name: Taylor & Francis
Year: 2017
Subjects: subject: Biochemistry
subject: Medicine
subject: Molecular Biology
subject: Biotechnology
subject: 59999 Environmental Sciences not elsewhere classified
subject: FOS: Earth and related environmental sciences
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Ecology
subject: FOS: Biological sciences
subject: Sociology
subject: FOS: Sociology
subject: 69999 Biological Sciences not elsewhere classified
subject: Plant Biology

description: Tropical and sub-tropical countries grow bananas in large quantities. About 13% by weight of the harvested banana cluster is banana peduncle waste, usually discarded or composted. The feasibility of using this waste as a feedstock to produce biofuels like ethanol and biogas was evaluated. Commercially available equipment was used to crush the peduncle, resulting in 0.591 g of juice/g fresh peduncle composed of glucose (7 g/L), sucrose (3 g/L) and fructose (8 g/L). Five-day fermentation of five times concentrated peduncle extract yielded 0.41 g ethanol/g sugars, without need for any additional nutrient for fermentation; higher concentrations were inhibitory. Additionally, the residual bagasse after extraction and stillage (after ethanol distillation), was successfully anaerobically digested to produce biogas. The methane yields were 0.263 L methane at standard temperature and pressure (STP)/g volatile solids (VS) of bagasse, and 0.08 L methane at STP/g VS stillage which resolves approximately 68% of energy requirements for the concentration step. In Ecuador, about 4 million liters of ethanol can be produced from peduncle. It is envisaged that the concentrated syrup can be prepared at the packing house using biogas from peduncle bagasse as fuel, then dispatched to an ethanol-processing central facility.
Radionuclides in groundwater, rocks and stream sediments in Austria—results from a recent survey
Creators: name: Schubert, Gerhard
name: Berka, Rudolf
name: Katzlberger, Christian
name: Motschka, Klaus
name: Denner, Monika
name: Grath, Johannes
name: Philippitsch, Rudolf
Publisher: name: Geological Society of London
Year: 2017
Subjects: subject: Geology
subject: FOS: Earth and related environmental sciences

description: The map `Radionuklide in Grundwässern, Gesteinen und Bachsedimenten Österreichs 1:500 000' (Berka et al. 2014a) shows the uranium content of the underground (`Gesteinschemie' = whole rock analyses, `Bachsedimente' = stream sediments) as well as the groundwater's content of uranium-238, radium-226, lead-210, polonium-210 and radium-228 (`Grundwasserdaten'). The stream sediment analyses displayed on the map are the maximum values within a cell size of 7.5 km (like in fig. 18). Furthermore the map displays published uranium mineralisations (`Uran-Mineralisationen') in Austria. In the geological legend also frequency diagrams of the geological units' uranium concentrations in stream sediments are displayed.
A eternidade na mão: a tragédia de Gilgamesh como paradigma de humanidade: meditação
Creators: name: Pereira, Américo
Publisher: name: Didaskalia
Year: 2003

description: Didaskalia, v. 33 n. 1-2 (2003): In Memoriam Professor Doutor P. Manuel Isidro Araújo Alves
Betti Base as an Efficient Ligand for Copper- Catalyzed Ullmann Coupling of Phenol with Aryl Halides
Creators: name: Yang, Li
name: Yang, Qichao
name: Shi, Jianxin
name: Wang, Yufang
name: Zhang, Mingjie
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorised

description: A simple, general and highly efficient Betti base ligand has been developed for copper-catalyzed Ullmann Coupling of phenol with aryl halides without the protection of an inert atmosphere. The reaction proceeds smoothly in the presence of K2CO3 as the base and DMSO as the solvent. The catalyst was reused several times with no evident loss of catalytic activity and is environmentally friendly.
Bi(OTf)3-Catalyzed Intramolecular Amination of Triazenylaryl Allylic Alcohols: A Stereoselective, High-Yield Synthesis of (E)-3-Alkenyl 2H-indazoles
Creators: name: Yang, Weijun
name: Yang, Zhigen
name: Xu, Lijun
name: Zhang, Lili
name: Xu, Xin
name: Miao, Maozhong
name: Ren, Hongjun
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorised

description: An efficient Bi(OTf)3-catalyzed synthesis of 3-alkenyl-2-pyrrolidine-2H-indazoles from triazenylaryl allylic alcohols via the intramolecular direct amination process is reported. Compared with the dodecyl benzenesulfonic acid (DBSA)-catalyzed method, the new method is more efficient and gives greater yields and functionality tolerance. Additionally, the 3-alkenyl-2-pyrrolidine-2H-indazoles can be transformed to a series of new products under different reaction conditions.
Bi(OTf)3-Catalyzed Intramolecular Amination of Triazenylaryl Allylic Alcohols: A Stereoselective, High-Yield Synthesis of (E)-3-Alkenyl 2H-Indazoles
Creators: name: Yang, Weijun
name: Yang, Zhigen
name: Xu, Lijun
name: Zhang, Lili
name: Xu, Xin
name: Miao, Maozhong
name: Ren, Hongjun
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorised

description: An efficient Bi(OTf)3-catalyzed synthesis of 3-alkenyl-2-pyrrolidine-2H-indazoles from triazenylaryl allylic alcohols via the intramolecular direct amination process is reported. Compared with the DBSA catalyzed method, the new method is more efficient and gives higher yields and functionality tolerance. Additionaly, the 3-alkenyl-2-pyrrolidine-2H-indazoles can be transformed to a series of new products under different reaction conditions.
Molecular Structure, Spectroscopic Assessment, PDOS, Topology Evaluation and Docking Studies of 2-Chloro-5-nitrobenzophenone
Creators: name: Arulaabaranam, K.
name: Muthu, S.
name: Mani, G.
name: Irfan, Ahmad
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biophysics
subject: Biochemistry
subject: 29999 Physical Sciences not elsewhere classified
subject: FOS: Physical sciences
subject: Pharmacology
subject: 59999 Environmental Sciences not elsewhere classified
subject: FOS: Earth and related environmental sciences
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences

description: The vibrational, electronic properties of 2-chloro-5-nitrobenzophenone (2C5NB) are explored experimentally, and theoretically (DFT) using B3LYP functional with LanL2DZ basis set. This has been performed for assignment vibrational frequencies that conjointly involves inserting beneficial evidence concerning the structure of the chosen compound. Based on PED, a comprehensive clarification of the FT-Infrared and FT-Raman spectra of the designated molecule were documented, with these studies agreeing satisfactorily with the experimental data. By mapping the total electron density isosurface with MEP, and contour map, charge density distribution and chemical reactivity spot of the 2C5NB were studied. Molecule stability ascending from hyper conjugative interactions and charge delocalization were explored using NBO analysis. For energies, the HOMO-LUMO diagram has been depicted. The transitions of the compound expression is (n→π*) in the UV-Vis region. The chemical changes of the molecule in 1H and 13C nuclear magnetic resonance were measured using the Gauge-Independent Atomic Orbital (GIAO) method and analysed using 1H and 13C NMR spectra. The non-zero value of μ and elevated β worth specify that the 2C5NB might be a good candidate for NLO content. In order to explore the simultaneous correlations of the different bonds of the 2C5NB, the total and partial DOS spectrum were intricated. Fukui functions were made to treasure the reactive site all over the molecule. The thermodynamic properties have been accomplished. The docking of molecule studies disclosed that the 2C5NB molecule performances a central role in binding proteins that inhibit L-glutamate oxidase. Minimum binding energy and intermolecular energy is perceived in the interaction.
Bi(OTf)3-Catalyzed Intramolecular Amination of Triazenylaryl Allylic Alcohols: A Stereoselective, High-Yield Synthesis of (E)-3-Alkenyl 2H-Indazoles
Creators: name: Yang, Weijun
name: Yang, Zhigen
name: Xu, Lijun
name: Zhang, Lili
name: Xu, Xin
name: Miao, Maozhong
name: Ren, Hongjun
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorised

description: An efficient Bi(OTf)3-catalyzed synthesis of 3-alkenyl-2-pyrrolidine-2H-indazoles from triazenylaryl allylic alcohols via the intramolecular direct amination process is reported. Compared with the dodecyl benzenesulfonic acid (DBSA)-catalyzed method, the new method is more efficient and gives greater yields and functionality tolerance. Additionally, the 3-alkenyl-2-pyrrolidine-2H-indazoles can be transformed to a series of new products under different reaction conditions.
Synthesis, Characterization & Molecular Docking Study of Hydrazinylthiazole Derivatives as Antibacterial Agents
Creators: name: Parmar, Priti K.
name: Mori, Navneet P.
name: Khedkar, V.M.
name: Sanghavi, Gaurav
name: Khunt, Ranjan C.
Publisher: name: Taylor & Francis
Year: 2022
Subjects: subject: Biophysics
subject: Biochemistry
subject: 29999 Physical Sciences not elsewhere classified
subject: FOS: Physical sciences
subject: Cell Biology
subject: Pharmacology
subject: Biotechnology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Immunology
subject: FOS: Clinical medicine
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences
subject: Cancer

description: Thiazole is a well-established scaffold due to its wide range of therapeutic activities. Moreover, the chromane nucleus is also associated with various biological activities such as antibacterial, anticancer, anti-inflammatory, and anti-HIV. We have reported herein thiazole derivatives clubbed with chromane nucleus intending to enhance the action as hybrid molecules. All the synthesized molecules have been confirmed based on spectroscopic techniques such as PMR, CMR, FT-IR & further supported by mass spectrometry. To check the potency of newly synthesized molecules, they have been evaluated against different strains of bacteria. Furthermore, to gain an insight into their plausible mechanism of action and thermodynamic interaction governing the binding of these molecules to their biological target, a molecular docking study was performed against bacterial DNA gyrase. The results of in silico binding affinity were found to be in harmony with the experimental activity. A complete design, synthesis, biological screening, and molecular docking experiment was planned and executed to lead with compounds exhibiting potential antibacterial activity.
The Socio-Economic Impacts of the Coming of the Railways to Hertfordshire, Bedfordshire and Buckinghamshire 1838 - 1900
Creators: name: Newman, Friedrich Rudolf Johannes
Publisher: name: University of Hertfordshire
Year: 2015
Subjects: Railway
Socio-economic
Hertfordshire
Bedfordshire
Buckinghamshire
1838-1900
Dual-methodology
Railway town
Transportation

description: This research presents a demographic investigation into the effects the development of Britain’s railways in the Victorian Era had on the largely rural counties of Hertfordshire, Bedfordshire and Buckinghamshire. A ‘gateway’ to London, this region was traversed by many lines with a wide range of impacts. Railway historiography has questioned the extent to which railways affected national development; contemporary views of their central importance giving way to more critical opinion. Local rural studies have been recognised in addressing this; these at present are, however, few. Comparing and contrasting the three counties, the findings were used to create hypotheses of rural impacts, subsequently tested for accuracy and applicability by comparison with individual settlements. They demonstrated that occupations became decreasingly agricultural; railways having varying involvement. Sometimes a key factor, mostly they were of a supporting nature triggering knock-on effects. Land use became more urbanised but this was not railway originating; contrarily land use affected rail development itself. Railways, nonetheless, actively boosted urbanisation and industry by 1900, and in cases even supported agriculture. Population changes were assisted by railways, particularly rural-urban migration, but while aiding later in the period, railways did not initiate the process. A case study of Wolverton (Buckinghamshire), the first planned ‘railway town’, reveal exceptional differences even down to the appropriateness of the broader historiography. Limited prior research on this settlement type had been undertaken, and this study revealed their development was more complex than at first glance. As a result, a new structural framework was created to explain how they could transform from company tool to independent town. The contribution of this research is thus threefold. In analysing a new region, another area is added to a growing number collectively building a national understanding from a local level. As a rural region yet close to London, this shows that while current historiographical ‘facilitator’ views are correct, variation was rife. The hypotheses present a starting point for future rural rail studies – a method for comparing regions alongside a list of investigable aspects. Lastly, the proposed model for ‘railway town’ development provides a framework for comparison not just of these settlements but potentially other forms of planned ‘company town’. While railways were one factor among many, their importance should not be underestimated.
Sensitisation of ovarian cancer cells to cisplatin by flavonoids from Scutellaria barbata
Creators: name: Li, Jie
name: Wang, Yun
name: Hao, Yang
name: Yang, Yuan
name: Lei, Jia-Chuan
name: Yang, Cheng-Xiong
name: Yu, Jian-Qing
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorised

description: Combination of natural components with anticancer drugs is a new strategy for cancer chemotherapy to increase antitumour responses. In this study, we investigated the sensitisation effects of nine flavonoids from Scutellaria barbata to cisplatin (CDDP) on human ovarian cancer cells. The combinations of three flavonoids with CDDP showed the synergistic effects. The intracellular reactive oxygen species and the antioxidant activity were measured. The data suggest that the synergistic effects of flavonoids with CDDP on ovarian cancer cells did not directly correlate with their redox properties, but could be associated with the positions of hydroxyl group and methoxy group of flavonoids.
An Interpretative Phenomenological Analysis of the Experiences of Fathers of Adults Diagnosed with Asperger's Syndrome or High Functioning Autism
Creators: name: Mackey, Ellen Alice
Publisher: name: UH Research Archive
Year: 2016
Subjects: Autism Spectrum Conditions (ASC)
Asperger's Syndrome
fathers
Interpretative Phenomenological Analysis (IPA)
Qualitative

description: Existing research has started to explore the experiences of the people around children and adults diagnosed with Asperger’s Syndrome (AS) and High Functioning Autism (HFA). However, there are very few studies looking at the experiences of fathers, and there are less studies in relation to adults rather than children. This study aims to take an in depth look at the experiences of these fathers in order to start building our knowledge of the experiences of being the father of someone with a diagnosis of AS or HFA. Four fathers of sons and three fathers of daughters with a diagnosis of AS or HFA were interviewed using a semi-structured interview. The experiences of the fathers were explored qualitatively, using Interpretative Phenomenological Analysis. Analysis of the transcripts brought out four superordinate themes for the seven fathers. The first theme: ‘The changing role but constant responsibility of being a ‘Father’’ described the fathers’ perceptions of their roles and responsibilities towards their child as they have grown up and into the future. The second theme: ‘The importance of knowledge and understanding’ described the importance the fathers placed on developing their understanding of their child and the need for other people to understand them and their child. The third theme: ‘The intense emotional impact’ came from the fathers’ descriptions of the positive and negative emotional reactions to the challenges their children and families have faced. The final theme: ‘The importance of good support’ includes the fathers’ good and bad experiences of support services and support from family and friends. The results of the analysis are discussed in relation to the existing literature and in terms of what they mean for the clinical practice of people working with fathers of children and adults with AS or HFA. The strengths and limitations of the study are also discussed.
A study on cyclist head injuries based on an electric-bicycle to car accident reconstruction
Creators: name: Gao, Wenrui
name: Bai, Zhonghao
name: Li, Huan
name: Liu, Yu
name: Chou, Clifford C.
name: Jiang, Binhui
Publisher: name: Taylor & Francis
Year: 2020
Subjects: subject: Biophysics
subject: Medicine
subject: Physiology
subject: FOS: Biological sciences
subject: Environmental Sciences not elsewhere classified
subject: Biological Sciences not elsewhere classified
subject: Science Policy
subject: Mental Health

description: In China, the electric-bicycle (E-bike) has become one of the most common modes of travel. However, the safety of E-bike has not received sufficient attentions, especially in the area of protection of the cyclists’ head. In this study, an E-bike-to-car accident was reconstructed using MADYMO and LS-DYNA software and head injuries of the cyclist were analyzed. A multi-rigid body model in MADYMO and a head to windshield impact finite element (FE) model using LS-DYNA were separately developed to achieve objectives of the work. Kinematic responses of the cyclist were predicted by the multi-rigid body model to obtain the best reconstructed results compared to those given in the accident report, and the instantaneous linear and angular relative velocities at the onset of contact between the head and windshield, which were used as input loading conditions to the FE model, were obtained. The maximum principal strain (MPS) of skull, and intracranial pressure (ICP), von-Mises stress and MPS (Maximum principal strain) of brain tissue were predicted by the FE model for the head injuries analyses. The results of accident reconstruction in this study case showed that: (1) The head impact region on the windshield in the E-bike-to-car impact accidents is higher than that in the pedestrian-to-car impact accidents. (2) The skull MPS, ICP, von-Mises stress and MPS of strain can accurately predict the head injury risk, location, etc. (3) The directly impact force caused the skull fracture, and the tensile inertial force torn bridge vein resulting in the subdural hematoma on the opposite side of impact in this accident. (4) The models developed in this study were validated against the reconstructed accident and can be used for further study on head injuries of E-bike’s cyclist and helmet design.
The Experiences of Older Black African Women Living with HIV in the UK: an IPA Study
Creators: name: Heer, Kuljit
Publisher: name: UH Research Archive
Year: 2017
Subjects: Interpretative phenomenological analysis
qualitative
culture
Black African
HIV

description: Due to the improved availability of highly active antiretroviral therapy (HAART) life expectancy amongst people living with HIV has drastically increased. Older people, aged 50 and over now make up the fastest growing group of individuals living with HIV in the UK. Despite this little is known about their experiences of ageing with HIV. In addition, further still is known about older Black African women living with HIV in the UK, despite the complexity of their social and political context. This was, therefore, the first study to explore the lived experiences of this underrepresented group of women. The thesis adopted a phenomenological approach to examining how the intersections of older black African women’s identities shaped their experiences of living with HIV in the UK. In addition, it explored the ways in which they coped with the devastating impact HIV appeared to have on their lives. Using interviews with seven women and interpretative phenomenological analysis, the results revealed three master themes. These were ‘Spoilt Identities’, ‘A present without light and a future without hope’ and ‘Escaping the labyrinth of distress and uncertainty’. A detailed account of these master themes is provided. The findings are discussed in relation to existing literature, implications for clinical practice, methodological limitations and suggestions for future research.
Gunyakov_OL2017_Supp.pdf
Creators: name: Gunyakov, Vladimir A.
name: Timofeev, Ivan V.
name: Krakhalev, Mikhail N.
name: Zyryanov, Victor Ya.
Publisher: name: figshare
Year: 2017
Subjects: subject: 20504 Photonics, Optoelectronics and Optical Communications
subject: FOS: Physical sciences

description: Supporting Information for the publication"Bisector effect in twisted-nematic Fabry-Perot cavity".The parameters used in the calculations using equation (1) (Figs. 2b, 3, and 4) are presented.
A GT Study of Parent Adjustment after the Birth of a Child with a Facial Birthmark
Creators: name: Gait, Lucy
Publisher: name: UH Research Archive
Year: 2017
Subjects: parental adjustment
birthmarks
qualitative

description: Little is known about the experiences of parental adjustment following the birth of a child with a facial birthmark due to a scarcity of literature. The literature within the fields of cleft lip and palate (CL/P) and cranio-facial abnormality (CFA) suggest that there are many factors involved in the process of parental adjustment. The aim of this project was to explore how parents adjust following the birth of their child with a facial birthmark. In-depth interviews were conducted with 13 parents of children aged between birth and two years old. The data was analysed using a Constructivist Grounded Theory approach and a model of adjustment was co-constructed from the data. It appears that parents move through a process of adjustment, that begins with coping with the initial shock and uncertainty before moving on to understanding the birthmark and treatment options, making sense of the birthmark, developing coping strategies and adjusting to birthmark. This process is affected by the availability of resources and the extent of social challenges experienced by the parents. The findings of this study indicate that psychology should be routinely involved with the assessment of parental psycho-social well-being and psycho-social support should be promoted for these families. Furthermore, greater training about birthmarks for medical professionals is recommended.
It’s getting late today, please do the laundry: The influence of long-distance commuting on the division of domestic labor
Creators: name: Stenpaß, Anna
name: Kley, Stefanie
Publisher: name: Journal of Family Research
Year: 2020

description: The study examines the effect of long-distance commuting on the division of domestic labor in heterosexual couples. A long journey to work can affect other areas of life. Commuters often have lower life satisfaction and their intimate relationships may be impaired by mental stress. When looking at domestic labor the question arises of who is in charge of managing the household and childcare. Do women still adopt the “lion’s share of housework” or take over the “second shift” if they spend part of the day on long commutes to work and back home? A long commute is defined as a journey to work of at least 45 minutes, daily or several times a week. We present the results of pooled regression analysis and fixed effects regressions conducted on data from the German Panel Analysis of Intimate Relationships and Family Dynamics (pairfam) for the years 2013, 2015, and 2016. The pooled analysis suggests a moderate association between a woman’s long commute and her partner’s engagement in housework and childcare, especially when she commutes daily. Instead of living ‘reversed roles’, the partners share such tasks. However, when the association between a woman’s long commute and her partner’s engagement in childcare is estimated exclusively with fixed regression, it remains significant. If the man is a long-distance commuter, most often his partner is solely responsible for all household tasks. Relative labor market position and income distribution within the couples, as well as adherence to gender roles explain the effects of long-distance commuting on labor division.
description: Journal of Family Research, Early View
Oxidative Coupling of o-Phenylenediamine with Arylmethylamines to Synthesize Aryl-Substituted Benzimidazoles Under Catalyst-Free and Solvent-Free Conditions
Creators: name: Yu, Jiatao
name: Lu, Ming
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorised

description: Solvent-free oxidative synthesis of benzimidazoles from arylmethylamines and o-phenylenediamine has been achieved under catalyst-free conditions. This reaction can use tert-butyl hydroperoxide (TBHP) as the oxidant, and a wide variety of derivatives were obtained in good yields. The reaction mechanism was proposed and this method provides a direct and practical approach for the preparation of substituted benzimidazoles.
A General and Practical Oxidative Coupling of o-Phenylenediamine with Arylmethylamines to the Synthesis of Aryl-Substituted Benzimidazoles Under Catalyst-Free and Solvent-Free Conditions
Creators: name: Yu, Jiatao
name: Lu, Ming
Publisher: name: Taylor & Francis
Year: 2014
Subjects: Uncategorised

description: Solvent-free oxidative synthesis of benzimidazoles from arylmethylamines and o-phenylenediamine has been achieved under catalyst-free conditions. This reaction can use TBHP as the oxidant, and a wide variety of derivatives were obtained in high yields. The reaction mechanism was proposed and this method provides a direct and practical approach for the preparation of substituted benzimidazoles.
Additional file 2: of The tolerability of single low dose primaquine in glucose-6-phosphate deficient and normal falciparum-infected Cambodians
Creators: name: Dysoley, Lek
name: Kim, Saorin
name: Lopes, Sergio
name: Khim, Nimol
name: Bjorges, Steven
name: Top, Samphornarann
name: Huch, Chea
name: Rekol, Huy
name: Westercamp, Nelli
name: Fukuda, Mark
name: Hwang, Jimee
name: Roca-Feltrer, Arantxa
name: Mukaka, Mavuto
name: Menard, Didier
name: Taylor, Walter
Publisher: name: figshare
Year: 2019
Subjects: subject: Physical Sciences not elsewhere classified
subject: Medicine
subject: Microbiology
subject: FOS: Biological sciences
subject: Molecular Biology
subject: Chemical Sciences not elsewhere classified
subject: Infectious Diseases
subject: FOS: Health sciences
subject: Virology
subject: Computational Biology

description: Methaemoglobin concentration over time, expressed as the % of total haemoglobin. Within the G6PDn group, metHb distributions were significantly different for: (i) D3 [1.6 (0.6-3.4)] vs. D0 [1.3 (0.6-2)] p=0.005), and (ii) D7 [1.6 (0.9-2.4)] vs. D0 (p=0.007). (DOCX 13 kb)