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Journal articles on the topic 'Azote – Transfert'

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1

Liénard, Amandine, and Gilles Colinet. "Transfert en cadmium et zinc vers l’orge de printemps en sols contaminés et non contaminés de Belgique : évaluation et prédiction." Cahiers Agricultures 27, no. 2 (2018): 25002. http://dx.doi.org/10.1051/cagri/2018008.

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En Région wallonne, des sols agricoles situés à proximité d’anciens sites de traitements de minerais ont été impactés par des retombées atmosphériques contaminées en cadmium (Cd), plomb (Pb) et zinc (Zn). Afin d’étudier l’impact de ces contaminations sur la qualité des productions agricoles, une étude du transfert en Cd et Zn du sol vers l’orge de printemps (Hordeum vulgare L.) a été réalisée sur une de ces zones contaminées. Dix-huit prélèvements d’orges ont été effectués en zone contaminée, 10 autres en zone témoin non contaminée et chacun d’eux a été subdivisé en trois sous-échantillons (ti
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2

Zerrouqi, Zahra, Mohammed Sbaa, Abdelhafid Chafi, and Driss Elhafid. "Investigation du lessivage des stocks de boues d’épuration de Nador : Étude sur terrain et apport de l’expérimentation." Revue des sciences de l’eau 24, no. 4 (2012): 371–81. http://dx.doi.org/10.7202/1007626ar.

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La station d’épuration par boues activées de Nador génère de grandes quantités de boues qui posent un sérieux problème environnemental. Ces boues sont stockées à côté de la lagune de Nador, sans aucune mesure assurant leur innocuité à l’environnement. Pendant la période pluvieuse, les eaux de pluies s’infiltrent à l’intérieur des déchets en se chargeant de leurs composés minéraux et organiques générant ainsi un lixiviat. Notre étude vise à caractériser le lixiviat des stocks de boues et à approcher expérimentalement via un test de percolation le risque du transfert possible des contaminants is
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3

Liepa, AJ, AJ Liepa, TC Morton та TC Morton. "Synthesis of 1-(α-Acyloxy-2-hydroxybenzyl)Azoles and Related Compounds by an Acyl Transfer Reaction". Australian Journal of Chemistry 42, № 11 (1989): 1961. http://dx.doi.org/10.1071/ch9891961.

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Novel azole adducts were produced by reaction of azoles and 2-acyloxyaryl aldehydes. The mechanism of the reaction involves attack by the azole at the carbonyl group and transfer of the acyl group to form an azole-substituted benzylic ester. 2-Acyloxyaryl ketones did not undergo an analogous reaction. An aminal was formed rather than an azole-substituted benzylic carbonate when a 2-aryl aldehyde carbonate was used as substrate.
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4

De Deken, Xavier, and Martine Raymond. "Constitutive Activation of the PDR16 Promoter in a Candida albicans Azole-Resistant Clinical Isolate Overexpressing CDR1 and CDR2." Antimicrobial Agents and Chemotherapy 48, no. 7 (2004): 2700–2703. http://dx.doi.org/10.1128/aac.48.7.2700-2703.2004.

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ABSTRACT Candida albicans azole-resistant clinical isolates overexpressing the CDR1 and CDR2 genes (multidrug transporters) also overexpress the PDR16 gene (phosphatidylinositol transfer protein). We show here that the PDR16 promoter displays higher transcriptional activity following integration in an azole-resistant isolate than in the matched azole-susceptible one. Thus, the upregulation of PDR16 in the resistant strain results from a mutation acting in trans.
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5

Sionov, Edward, Yun C. Chang, H. Martin Garraffo, and Kyung J. Kwon-Chung. "Heteroresistance to Fluconazole in Cryptococcus neoformans Is Intrinsic and Associated with Virulence." Antimicrobial Agents and Chemotherapy 53, no. 7 (2009): 2804–15. http://dx.doi.org/10.1128/aac.00295-09.

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ABSTRACT In 1999, heteroresistance to triazoles was reported in Cryptococcus neoformans strains isolated from an azole therapy failure case of cryptococcosis in an AIDS patient and in a diagnostic strain from a non-AIDS patient. In this study, we analyzed 130 strains of C. neoformans isolated from clinical and environmental sources before 1979, prior to the advent of triazoles, and 16 fluconazole (FLC)-resistant strains isolated from AIDS patients undergoing FLC maintenance therapy during 1990 to 2000. All strains isolated prior to 1979 manifested heteroresistance (subset of a population that
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6

Marr, Kieren A., Christopher N. Lyons, Kien Ha, Tige R. Rustad, and Theodore C. White. "Inducible Azole Resistance Associated with a Heterogeneous Phenotype in Candida albicans." Antimicrobial Agents and Chemotherapy 45, no. 1 (2001): 52–59. http://dx.doi.org/10.1128/aac.45.1.52-59.2001.

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ABSTRACT The development of azole resistance in Candida albicansis most problematic in patients with AIDS who receive long courses of drug for therapy or prevention of oral candidiasis. Recently, the rapid development of resistance was noted in other immunosuppressed patients who developed disseminated candidiasis despite fluconazole prophylaxis. One of these series of C. albicans isolates became resistant, with an associated increase in mRNA specific for aCDR ATP-binding cassette transporter efflux pump (K. A. Marr, C. N. Lyons, T. R. Rustad, R. A. Bowden, and T. C. White, Antimicrob. Agents
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7

Jones, Guilford, and Jennifer Ann C. Jimenez. "Intramolecular photoinduced electron transfer for cations derived from azole-substituted coumarin dyes." Tetrahedron Letters 40, no. 49 (1999): 8551–55. http://dx.doi.org/10.1016/s0040-4039(99)01827-4.

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8

MAURICE, Nicolas, Pauline LOUIS, Cécile POCHET, et al. "Le projet Azhurev ou la mise en oeuvre d’une grande zone de rejet végétalisée en aval de la station d’épuration du Grand Reims." Techniques Sciences Méthodes 10, no. 10 (2023): 73–82. http://dx.doi.org/10.36904/tsm/202310073.

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La zone de rejet végétalisée d’Azhurev, qui occupe une surface de 6 ha à l’aval de la station d’épuration du Grand Reims, a été conçue en 2012. Elle reçoit non seulement des eaux usées traitées, mais aussi des rejets urbains de temps de pluie. Son but est d’améliorer la qualité des eaux urbaines traitées en termes de nutriments (azote, phosphore) et d’éliminer des micropolluants urbains, notamment des résidus pharmaceutiques. Après cinq années de fonctionnement, un premier bilan est proposé pour cette zone de rejet végétalisée (ZRV).
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9

Slassi, Siham, Adeline Fix-Tailler, Gérald Larcher, Amina Amine, and Abdelkrim El-Ghayoury. "Imidazole and Azo-Based Schiff Bases Ligands as Highly Active Antifungal and Antioxidant Components." Heteroatom Chemistry 2019 (January 3, 2019): 1–8. http://dx.doi.org/10.1155/2019/6862170.

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We describe, herein, the synthesis, full characterization, and optical properties of four different ligandsL1-L4which associate an azo group, an imidazole unit, and a Schiff base fragment. The UV-visible absorption bands are characteristic ofπ→π⁎andn→π⁎transitions with an additional charge transfer between the azobenzene moiety and the imino group. Finally the determination of MIC80values against pathogenic fungi such asS. apiospermum,A. fumigatus,andC. albicansrevealed that these ligands have effective antifungal properties with highest activities (MIC80) onC. albicansfor the azole based liga
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10

Zhou, Mi, Chengcheng Hu, Yajing Yin, et al. "Experimental Evolution of Multidrug Resistance in Neurospora crassa under Antifungal Azole Stress." Journal of Fungi 8, no. 2 (2022): 198. http://dx.doi.org/10.3390/jof8020198.

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Multidrug resistance, defined as the resistance to multiple drugs in different categories, has been an increasing serious problem. Limited antifungal drugs and the rapid emergence of antifungal resistance prompt a thorough understanding of how the occurrence of multidrug resistance develops and which mechanisms are involved. In this study, experimental evolution was performed under single-azole-drug stress with the model filamentous fungus Neurospora crassa. By about 30 weeks of continuous growth on agar plates containing ketoconazole or voriconazole with weekly transfer, four evolved multidru
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11

Kobayashi, Kazuo, Jotaro Igarashi, and Takahiro Kozawa. "Interdomain electron transfer in flavohaemoglobin from Candida norvegensis with antibiotic azole compounds." FEBS Letters 596, no. 7 (2022): 938–46. http://dx.doi.org/10.1002/1873-3468.14327.

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12

Griggs, Jennifer L., Kim R. Rogers, Clay Nelson, Todd Luxton, William E. Platten, and Karen D. Bradham. "In vitro bioaccessibility of copper azole following simulated dermal transfer from pressure-treated wood." Science of The Total Environment 598 (November 2017): 413–20. http://dx.doi.org/10.1016/j.scitotenv.2017.03.227.

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13

Koseki, Daichi, Erika Aoto, Toshitaka Shoji, et al. "Efficient N-arylation of azole compounds utilizing selective aryl-transfer TMP-iodonium(III) reagents." Tetrahedron Letters 60, no. 18 (2019): 1281–86. http://dx.doi.org/10.1016/j.tetlet.2019.04.012.

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14

Fouda, Abd, Aya Salem, Ahmed Wahba, Samir El-Maksous, and Mahmoud El-Haddad. "Experimental and theoretical optimization of Chelidonium Majus (Papaveraceae) extract as an environmentally friendly inhibitor for corrosion of a-brass in nitric acid solution." Zastita materijala 64, no. 3 (2023): 239–55. http://dx.doi.org/10.5937/zasmat2303239f.

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The research paper discusses the study of the inhibition rates of Chelidonium Majus (Papaveraceae) plant extract (CME) on abrass in 1.0 M HNO3 solution. The study was carried out using chemical and electrochemical techniques, which showed results of up to 97% inhibition with 150 ppm at 250C. For the polarization results, CME is a mixed-type inhibitor. The increase in the charge transfer resistance and the decrease in the capacitance of the double layer with increasing concentration were observed by Nyquist diagrams and it was found that the inhibition process follows the Langmuir isotherm whic
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15

Varma, A., and K. J. Kwon-Chung. "Heteroresistance of Cryptococcus gattii to Fluconazole." Antimicrobial Agents and Chemotherapy 54, no. 6 (2010): 2303–11. http://dx.doi.org/10.1128/aac.00153-10.

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ABSTRACT We analyzed 71 clinical and environmental Cryptococcus gattii strains that had been isolated before or after the advent of azole antifungals to determine their level of heteroresistance to fluconazole (LHF). All strains of C. gattii manifested heteroresistance, with LHFs that ranged between 4 μg/ml and 32 μg/ml. A considerably higher proportion of the C. gattii strains (86%) than Cryptococcus neoformans strains (46%) exhibited LHFs that were ≥16 μg/ml. No significant correlation was observed between the molecular type or serotypes of strains and their respective LHF. The strains which
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16

Nichvolodin, Kostiantyn, and Vsevolod Sklabinskyi. "Determination of the heat transfer coefficient between pellets and air during the modernization of a pelletizing tower based on industrial research." Technology audit and production reserves 6, no. 3(74) (2023): 18–21. http://dx.doi.org/10.15587/2706-5448.2023.293264.

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The object of research is the heat transfer coefficient between pellets and air flow in industrial granulation towers. The problem lies in the difficulty of optimizing the heat transfer process. As a result of experiments and analysis, it was shown that each granulating tower for the production of mineral fertilizers has unique properties that significantly affect the efficiency of heat transfer. There are general mathematical models, but for accurate modeling and optimization of heat transfer, the unique characteristics of each production must be taken into account. The results showed that cr
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17

Tafelska-Kaczmarek, Agnieszka, Renata Kołodziejska, Marcin Kwit, Bartosz Stasiak, Magdalena Wypij та Patrycja Golińska. "Synthesis, Absolute Configuration, Antibacterial, and Antifungal Activities of Novel Benzofuryl β-Amino Alcohols". Materials 13, № 18 (2020): 4080. http://dx.doi.org/10.3390/ma13184080.

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A series of new benzofuryl α-azole ketones was synthesized and reduced by asymmetric transfer hydrogenation (ATH). Novel benzofuryl β-amino alcohols bearing an imidazolyl and triazolyl substituents were obtained with excellent enantioselectivity (96–99%). The absolute configuration (R) of the products was confirmed by means of electronic circular dichroism (ECD) spectroscopy supported by theoretical calculations. Selected benzofuryl α-azole ketones were also successfully asymmetrically bioreduced by fungi of Saccharomyces cerevisiae and Aureobasidium pullulans species. Racemic and chiral β-ami
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18

Pokojski, Zenon. "PARTNERSHIP IN OPEN INNOVATIONS – EXPERIENCE FROM THE AGRICULTURAL MARKET: POLAND CASE STUDY." Zeszyty Naukowe SGGW, Polityki Europejskie, Finanse i Marketing, no. 26(75) (December 30, 2021): 53–67. http://dx.doi.org/10.22630/pefim.2021.26.75.12.

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The ability to build and manage a knowledge transfer partnership is one of the most highly demanded skills. Knowledge is widely dispersed, so it should be acquired from the environment. For this purpose, partnerships should be established with different entities. Presumably, the most mature type of partnership is the innovation ecosystem. Hence empirical research was conducted among Poland’s Grupa Azoty (GA) Puławy's consortium members based on an in-depth, partially structured interview, supported by an analysis of several innovation ecosystems of chemical companies. The aim of the research w
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19

Padalkar, Vikas S., and Nagaiyan Sekar. "Excited-state intramolecular proton transfer (ESIPT) inspired azole-quinoline based fluorophores: Synthesis and photophysical properties study." Journal of Luminescence 155 (November 2014): 58–64. http://dx.doi.org/10.1016/j.jlumin.2014.06.018.

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20

Tafelska-Kaczmarek, Agnieszka, Marcin Kwit та Bartosz Stasiak. "Highly Asymmetric Reduction of New Benzofuryl and Benzothiophenyl α-Amino Ketones". Proceedings 41, № 1 (2019): 49. http://dx.doi.org/10.3390/ecsoc-23-06506.

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Heterocyclic compounds play an important role in medicinal chemistry and occupy a central position in synthetic organic chemistry. Both benzofuran and benzothiophene are considered as very important structures due to their diverse biological and pharmacological profile. Many clinically approved drugs are synthetic and naturally occurring substituted benzofuryl and benzothiophenyl derivatives in conjunction with other heterocycles. Therefore, a new series of α-amino ketone (containing various azole rings) derivatives of benzofuran and benzothiophene are synthesized and subjected to the transfer
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21

DIRRENBERGER1, P. "Méthanisation (partie 1) : principe, paramètres et polluants émis – état de l’art." Techniques Sciences Méthodes, no. 9 (September 21, 2020): 15–30. http://dx.doi.org/10.36904/tsm/202009015.

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La méthanisation est un processus biologique de dégradation anaérobie de la matière organique, poursuivant deux buts principaux : une valorisation énergétique par la production de biogaz, composé en majorité de méthane (CH4) et de gaz carbonique (CO2), et une valorisation agronomique par la production de digestat (résidu organique liquide ou pâteux des déchets non digérés), riche en nutriments (azote, phosphore, potassium) et pouvant être utilisé comme fertilisant ou amendement (épandage direct ou compostage). La digestion anaérobie est un procédé complexe mettant en jeu de nombreux microorgan
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22

Pereira Durão, Luís Miguel, António Torres Marques, António Gonçalves Magalhães, and António Monteiro Baptista. "Maquinagem de compósitos de matriz polimérica." Revista Iberoamericana de Ingeniería Mecánica 10, no. 2 (2006): 59–67. http://dx.doi.org/10.5944/ribim.10.2.43095.

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A maquinagem de PRF’s – plásticos reforçados com fibras embora possa ser executada por métodos e técnicas tradicionais, levanta problemas diversos dos conhecidos na maquinagem de metais, devido à heterogeneidade do material. Neste texto é estudada a furação de PRF’s em vidro/epóxido obtidos por RTM – Resin Transfer Molding – e de carbono/ epóxido a partir de préimpregnado, com o objectivo de obter furos tão perfeitos quanto possível, isto é, sem delaminação ou outros defeitos típicos. Na furação são utilizados diferentes parâmetros de corte, recorre-se à pré furação e ao arrefecimento por azot
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23

Marsot, Pierre, Allan D. Cembella, and Khadija Mouhri. "Croissance de la biomasse azotée du Phaeodactylum tricornutum (Bacillariophyceae) en cultures discontinues dialysante et non dialysante." Canadian Journal of Microbiology 38, no. 9 (1992): 945–52. http://dx.doi.org/10.1139/m92-152.

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The unique conditions associated with discontinuous (batch) dialysis culture of the diatom Phaeodactylum tricornutum elicit different nutritional responses from those observed in nondialysis culture. Simultaneous determinations of the nitrogen biomass concentration and of the nitrogen nutrients (NO3− + NO2−) in the culture chamber, as well as in the seawater nutrient medium at the entrance and exit of the dialyzer, revealed that nitrogen-biomass production in dialysis cultures is achieved mainly (>90%) during postexponential growth, when the concentration of nutrients is limiting (smaller t
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24

MLOSTON, G., T. GENDEK, and H. HEIMGARTNER. "ChemInform Abstract: First Examples of Reactions of Azole N-Oxides with Thioketones: A Novel Type of Sulfur-Transfer Reaction." ChemInform 29, no. 51 (2010): no. http://dx.doi.org/10.1002/chin.199851069.

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25

Mroczyńska, Martyna, Ewelina Kurzyk, Magdalena Śliwka-Kaszyńska, Urszula Nawrot, Marta Adamik, and Anna Brillowska-Dąbrowska. "The Effect of Posaconazole, Itraconazole and Voriconazole in the Culture Medium on Aspergillus fumigatus Triazole Resistance." Microorganisms 8, no. 2 (2020): 285. http://dx.doi.org/10.3390/microorganisms8020285.

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Triazoles are the only compounds used as antibiotics in both medicine and agriculture. The presence of triazoles in the environment can contribute to the acquisition of azole resistance among isolates of Aspergillus fumigatus. The objective of this study was to investigate the effect of A. fumigatus exposure to triazoles on susceptibility to these compounds. Seventeen triazole-resistant and 21 triazole-sensitive A. fumigatus isolates were examined. The isolates were transferred 20 times on the Sabouraud medium supplemented with posaconazole, itraconazole or voriconazole, followed by five times
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26

DIRRENBERGER1, P. "Méthanisation (partie 2) : technologies de digestion et procédés utilisés – état de l’art." Techniques Sciences Méthodes, no. 9 (September 21, 2020): 33–56. http://dx.doi.org/10.36904/tsm/202009033.

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La méthanisation est un processus biologique de dégradation anaérobie de la matière organique, poursuivant deux buts principaux : une valorisation énergétique par la production de biogaz, composé en majorité de méthane (CH4) et de gaz carbonique (CO2), et une valorisation agronomique par la production de digestat (résidu organique liquide ou pâteux des déchets non digérés), riche en nutriments (azote, phosphore, potassium) et pouvant être utilisé comme fertilisant ou amendement (épandage direct ou compostage). La méthanisation suit un schéma global relativement générique (prétraitement des déc
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27

HADIDI, M., B. BAHLAOUAN, S. ASSABA, et al. "Optimisation de la production du biogaz par les plans de mélanges de déchets agro-industriels et biofertilisation par les résidus de codigestion." Techniques Sciences Méthodes, no. 10 (October 20, 2020): 53–66. http://dx.doi.org/10.36904/tsm/202010053.

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L’objectif de cette étude est de proposer, par approche intégrée, une voie de gestion des déchets agro-industriels : halieutique, avicole, agrumicole. La valorisation énergétique du point de vue de la production de biogaz et aussi la valorisation du digestat qui en découle sont étudiées. Dix mixtures sont établies dans le cadre d’un plan simplexe-centroïde, leur digestion anaérobie dure environ 5000 min, suffisante pour atteindre la stabilité. L’évolution de plusieurs paramètres physico-chimiques tels que le pH, la conductivité, la matière sèche est déterminée. La conversion du carbone organiq
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28

Holič, Roman, Zuzana Šimová, Tim Ashlin, et al. "Phosphatidylinositol binding of Saccharomyces cerevisiae Pdr16p represents an essential feature of this lipid transfer protein to provide protection against azole antifungals." Biochimica et Biophysica Acta (BBA) - Molecular and Cell Biology of Lipids 1841, no. 10 (2014): 1483–90. http://dx.doi.org/10.1016/j.bbalip.2014.07.014.

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29

PATRIS, T., P. BALCH, C. JOANNIS, and A. CHAUBET. "Relations entre paramètres physiques et concentrations en polluants dans les effluents unitaires de Brest Métropole." Techniques Sciences Méthodes, no. 6 (June 22, 2020): 59–70. http://dx.doi.org/10.36904/tsm/202006059.

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Un volet du projet de R&D « Medisa » piloté par la société publique locale Eau du Ponant concerne les possibilités de conversion de mesures de conductivité et de turbidité en concentrations en matières en suspension (MES), demande chimique en oxygène (DCO), demande biochimique en oxygène à 5 jours (DBO5), azote Kjeldahl et phosphore total. Dans un premier temps, une analyse globalisée a été menée sur l’ensemble des 217 échantillons prélevés en temps sec et en temps de pluie au droit de six déversoirs d’orage situés sur le réseau unitaire de Brest Métropole. Elle permet d’identifier deux ty
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30

ROUMAGNAC, C. "Gestion du risque « cyanobactéries » dans deux retenues de barrages du département de l’Hérault." Techniques Sciences Méthodes 4, no. 4 (2021): 49–58. http://dx.doi.org/10.36904/tsm/202104049.

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Le développement excessif des cyanobactéries en efflorescence dans les plans d’eau et cours d’eau est un phénomène récurrent, qui intervient sous certaines conditions (climatiques, milieu riche en azote et phosphore ou autres). Il entraîne un risque sanitaire, car ce bloom peut s’accompagner de la présence de toxines libérées par les cyanobactéries. Lorsque les plans d’eau font l’objet d’usage (baignade, loisirs nautiques, fréquentation du public, irrigation…), il est alors impérieux de se préparer à l’apparition de ce phénomène en élaborant une stratégie et un plan d’actions pour y faire face
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31

Zaderenko, P., M. S. Gil, P. López, P. Ballesteros, I. Fonseca, and A. Albert. "Diethyl 2-Benzimidazol-1-ylsuccinate–Picric Acid (1/1) – An Inclusion Molecular Complex." Acta Crystallographica Section B Structural Science 53, no. 6 (1997): 961–67. http://dx.doi.org/10.1107/s0108768197008562.

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The crystal structure of the diethyl 2-benzimidazol-1-ylsuccinate–picric acid (1/1) molecular complex has been determined by X-ray diffraction analysis. Diethyl 2-benzimidazol-l-ylsuccinate molecules form channels along the a axis, in which the picric acid molecules are located. The benzimidazole moiety and the phenol group are held together by hydrogen bonding between the hydrogen of the phenol and the N3 atom of benzimidazole. Additionally, this hydrogen forms an intramolecular hydrogen bond with one O atom of the ortho-nitro group, thus producing a bifurcated hydrogen bond. 1H NMR spectra i
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32

Sheng, Xiao Xia, Yen Peng Ting, and Simo Olavi Pehkonen. "Inhibition of Microbiologically Influenced Corrosion of Mild Steel and Stainless Steel 316 by an Organic Inhibitor." Advanced Materials Research 20-21 (July 2007): 379–82. http://dx.doi.org/10.4028/www.scientific.net/amr.20-21.379.

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Microbiologically influenced corrosion (MIC) is a serious problem that continues to plague many industrial systems. In this study, a method to prevent MIC by the use of an azole-type organic compound on the metal substrates was studied. Inhibition of MIC of mild steel and stainless steel 316 by 2-Methylbenzimidazole (MBI) in seawater with sulphate-reducing bacteria (SRB) was investigated using electrochemical impedance spectroscopy (EIS) and atomic force microscopy (AFM). MBI was shown to be an effective inhibitor in controlling MIC by two strains of sulphate-reducing bacteria: Desulfovibrio d
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Victoria, Guiliana Soraya, Pravin Kumar, and Sneha Sudha Komath. "The Candida albicans homologue of PIG-P, CaGpi19p: gene dosage and role in growth and filamentation." Microbiology 156, no. 10 (2010): 3041–51. http://dx.doi.org/10.1099/mic.0.039628-0.

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Glycosylphosphatidyl inositol (GPI)-anchored proteins in Candida albicans are responsible for a vast range of functions, and deletions in certain GPI-anchored proteins severely reduce adhesion and virulence of this organism. In addition, completely modified GPIs are necessary for virulence. GPI anchor biosynthesis is essential for viability and starts with the transfer of N-acetylglucosamine to phosphatidylinositol. This step is catalysed by a multi-subunit complex, GPI–N-acetylglucosaminyltransferase (GPI–GnT). In this, the first report to our knowledge on a subunit of the Candida GPI–GnT com
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34

Chiter, Fatah, Dominique Costa, Vincent Maurice, and Philippe Marcus. "Adsorption of 2-mercaptobenzimidazole corrosion inhibitor on copper: DFT study on model oxidized interfaces." Journal of The Electrochemical Society 167 (December 7, 2020): 161506. https://doi.org/10.1149/1945-7111/abcd4f.

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High corrosion inhibition efficiency of the 2-mercaptobenzimidazole (MBI) molecule for copper in different aqueous solutions is well established. We propose a first principle DFT study of the surface chemistry of the adsorption of MBI on preoxidized Cu(111). For both thione (MBIH) and thiolate (MBI<sup>◦</sup>) species, the formation of a full monolayer (ML) is favored over low coverage adsorption. At the ML coverage, the molecules adopt a perpendicular orientation with respect to the surface. MBI<sup>◦</sup> interaction with the surface is stronger than MBIH one. MBIH and MBI<sup>◦</sup> bond
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35

Holubowitch, Nicolas. "Predicting Redox Potentials of Flow Battery-Relevant Model Electrolytes." ECS Meeting Abstracts MA2023-02, no. 4 (2023): 699. http://dx.doi.org/10.1149/ma2023-024699mtgabs.

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Redox flow batteries (RFBs) are rapidly gaining traction among large-scale storage solutions for intermittent renewable energy. Given the anticipated global scale of this technology, there is an intensive ongoing search for active electrolyte species containing all earth-abundant elements. Potential RFB actives must satisfy several criteria to maximize battery performance, namely, high solubility in the RFB solvent, optimum reduction potential, and chemical stability in all redox states. Given the near infinite possible molecular combinations of the primary atoms C, H, N, O, S, and Fe, computa
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36

BAI, FU-QUAN, TAO LIU, XIN ZHOU, JIAN-PO ZHANG, and HONG-XING ZHANG. "THEORETICAL COMPUTATIONAL STUDIES ON ELECTRONIC STRUCTURES, SPECTROSCOPIC PROPERTIES AND NITROGEN HETEROATOM EFFECT OF A SPECIES OF ASYMMETRICAL DIIMINE LIGAND PLATINUM(II) COMPLEXES." Journal of Theoretical and Computational Chemistry 08, no. 04 (2009): 603–13. http://dx.doi.org/10.1142/s0219633609004952.

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Electronic structures and spectroscopic properties of a series of platinum(II) complexes based on the C-linked asymmetrical diimine ligand (2-pyridyl-pyrazole (1), 2-pyridyl-1,2,4-triazole (2), 2-pyridyl-tetrazole (3), 2-pyrazine-pyrazole (4) have been studied by the time-dependent density functional theory calculations with polarizable continuum model. The ground- and excited-state structures were optimized by the density functional theory and single-excitation configuration interaction methods, respectively. The calculated structures and spectroscopic properties are in agreement with the cor
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37

Nishiura, Toshiki, Takehiro Ohta, Takashi Ogura, Jun Nakazawa, Masaya Okamura, and Shiro Hikichi. "The Conversion of Superoxide to Hydroperoxide on Cobalt(III) Depends on the Structural and Electronic Properties of Azole-Based Chelating Ligands." Molecules 27, no. 19 (2022): 6416. http://dx.doi.org/10.3390/molecules27196416.

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Conversion from superoxide (O2‒) to hydroperoxide (OOH‒) on the metal center of oxygenases and oxidases is recognized to be a key step to generating an active species for substrate oxidation. In this study, reactivity of cobalt(III)-superoxido complexes supported by facially-capping tridentate tris(3,5-dimethyl-4-X-pyrazolyl)hydroborate ([HB(pzMe2,X)3]‒; TpMe2,X) and bidentate bis(1-methyl-imidazolyl)methylborate ([B(ImN-Me)2Me(Y)]‒; LY) ligands toward H-atom donating reagent (2-hydroxy-2-azaadamantane; AZADOL) has been explored. The oxygenation of the cobalt(II) precursors give the correspond
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38

Li, Rong, Shuai-Hua Wang, Zhi-Fa Liu та ін. "An Azole-Based Metal–Organic Framework toward Direct White-Light Emissions by the Synergism of Ligand-Centered Charge Transfer and Interligand π–π Interactions". Crystal Growth & Design 16, № 7 (2016): 3969–75. http://dx.doi.org/10.1021/acs.cgd.6b00528.

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39

BRUN, F., V. DUBOIS, and C. BOUTIN. "L’emploi du broyat de bois, une solution durable pour traiter les eaux ménagères ?" 3, no. 3 (March 22, 2021): 37–53. http://dx.doi.org/10.36904/tsm/202103037.

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L’emploi de broyat de bois pour le traitement des eaux ménagères tend à s’amplifier en France depuis une décennie dans un contexte favorable à la séparation à la source des effluents liquides et au développement de filières issues de l’économie circulaire. Le broyat de bois est un terme générique qui englobe différents types de fragments de bois d’origine industrielle ou produit par des artisans, des agriculteurs ou des particuliers. Il se décline en bois énergie, bois broyés ou particules du bois avec des usages aussi très variés comme le paillage ou le chauffage. Cet article se focalise sur
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40

BESSON, M., L. TIRUTA-BARNA, E. PAUL, and M. SPERANDIO. "La séparation à la source pour une récupération des ressources : outil d’évaluation environnementale." 5 5, no. 5 (2022): 41–48. http://dx.doi.org/10.36904/tsm/202205041.

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Les eaux usées ne sont plus vues uniquement comme une pollution à traiter, mais bien comme des ressources à valoriser, notamment les nutriments (azote et phosphore), la matière organique et l’eau. Cette étude s’est donc intéressée à différentes stratégies de récupération en évaluant des scénarios de séparation à la source des effluents domestiques à l’échelle d’un quartier selon des critères d’impacts environnementaux. Le deuxième objectif de cette étude est d’analyser l’effet de l’urbanisme sur le bilan environnemental de ces différents scénarios. Pour cela l’étude se positionne à l’échelle d
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41

FALIPOU, E., C. BOUTIN, C. FAVRE, and R. LACASSE. "Analyse comparée de trois dispositifs d’assainissement à base de fragments de coco." 5, no. 5 (May 21, 2021): 63–101. http://dx.doi.org/10.36904/tsm/202105063.

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Cet article est centré sur l’analyse de filtres garnis de fragments de coco utilisés en France en assainissement non collectif. La qualité des rejets des trois dispositifs développés (V0, V1 et V2) mesurée en conditions de plateforme d’essais et in situ est comparée. Des études précédentes utilisant une méthodologie d’analyse similaire ont qualifié d’« acceptable » la qualité des rejets in situ de V0 et V2 mais pas celle de V1. L’objectif est d’évaluer l’impact des évolutions techniques (matériau filtrant, surface réduite et distribution) sur les différences observées et de déterminer comment
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Fedorova, A. A., O. V. Lefedova, and S. A. Shlykov. "Structure of 2-nitro-2’-hydroxy-5’-methylazobenzene: Theoretical and spectroscopic study." Fine Chemical Technologies 18, no. 4 (2023): 315–27. http://dx.doi.org/10.32362/2410-6593-2023-18-4-315-327315.

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Objectives. 2-Hydroxy-nitroazobenzenes comprise reagents for the synthesis of heteroaromatic compounds, in the molecules of which the benzene and azole cycles are annulated. These reagents are widely used in the production of chemical products for various industries. In particular, 2-2’-hydroxy-5’-methylphenylbenzotriazole is used as an effective photo stabilizer for polystyrene and polyethylene. A promising method for its preparation is the liquid-phase catalytic hydrogenation of 2-nitro-2'-hydroxy-5'-methylazobenzene (2NAB). The aim of the present study was to establish the structure of 2NAB
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43

Fedorova, A. A., O. V. Lefedova, and S. A. Shlykov. "Structure of 2-nitro-2’-hydroxy-5’-methylazobenzene: Theoretical and spectroscopic study." Fine Chemical Technologies 18, no. 4 (2023): 315–27. http://dx.doi.org/10.32362/2410-6593-2023-18-4-315-327.

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Objectives. 2-Hydroxy-nitroazobenzenes comprise reagents for the synthesis of heteroaromatic compounds, in the molecules of which the benzene and azole cycles are annulated. These reagents are widely used in the production of chemical products for various industries. In particular, 2-2’-hydroxy-5’-methylphenylbenzotriazole is used as an effective photo stabilizer for polystyrene and polyethylene. A promising method for its preparation is the liquid-phase catalytic hydrogenation of 2-nitro-2'-hydroxy-5'-methylazobenzene (2NAB). The aim of the present study was to establish the structure of 2NAB
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44

FALIPOU, E., S. GILLOT, J. P. CANLER, and J. M. PERRET. "Digestion anaérobie des boues en station d’épuration : état de l’art du parc français." Techniques Sciences Méthodes, no. 9 (September 21, 2020): 57–69. http://dx.doi.org/10.36904/tsm/202009057.

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La digestion des boues de station d’épuration suscite de plus en plus d’intérêt auprès des collectivités. Ce procédé biologique permet en effet de réduire de façon importante le volume des boues produites, de les stabiliser et de générer du biogaz. Ce biogaz peut être valorisé sous forme d’énergie thermique et/ou électrique, être utilisé comme biocarburant, ou être injecté dans le réseau de gaz de ville depuis juin 2014, avec la modification de l’arrêté du 23 novembre 2011. Motivée par cette évolution réglementaire, cette étude a permis de réaliser un état des lieux des pratiques actuelles en
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45

Al-Fakeh, Maged, Muneera Alrasheedi, Ard Mohammed, et al. "Synthesis, Characterization, DNA, Fluorescence, Molecular Docking, and Antimicrobial Evaluation of Novel Pd(II) Complex Containing O, S Donor Schiff Base Ligand and Azole Derivative." Inorganics 12, no. 7 (2024): 189. http://dx.doi.org/10.3390/inorganics12070189.

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Pd(II) with the Schiff base ligand 2-Hydroxy-3-Methoxy Benzaldehyde-Thiosemicarbazone (HMBATSC) (L2) and 2-aminobenzothiazole (2-ABZ) (L1) was synthesized. The Schiff base ligand and the Palladium(II) complex were characterized by C.H.N.S, FT-IR, conductance studies, magnetic susceptibility, XRD, and TGA. From the elemental analysis and spectral data, the complex was proposed to have the formula [Pd(HMBATSC)(2-ABZ)H2O]. The interaction between the Pd(II) complex and DNA was examined through various methods, including UV–Vis spectroscopy, fluorescence techniques, and DNA viscosity titrations. T
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46

Vaks, Vladimir, Vladimir Anfertev, Andrey Ayzenshtadt, et al. "Novel Approaches in the Diagnostics of Ear-Nose-Throat Diseases Using High-Resolution THz Spectroscopy." Applied Sciences 13, no. 3 (2023): 1573. http://dx.doi.org/10.3390/app13031573.

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Nowadays, physicochemical methods of analysis are used in medical diagnostics. One can identify metabolites characteristic of a particular disease. The compilation of a metabolic profile will facilitate the diagnosis of diseases, evaluate their stage and etiology, and predict treatment. The goal of the study is to analyze the metabolite composition of the ear-nose-throat (ENT) tissues by high-resolution THz spectroscopy based on nonstationary effects and compare metabolites formed during the thermal decomposition of relatively healthy mucosa, polyps, and cysts. Studies were performed with the
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47

White, T. C. "Increased mRNA levels of ERG16, CDR, and MDR1 correlate with increases in azole resistance in Candida albicans isolates from a patient infected with human immunodeficiency virus." Antimicrobial Agents and Chemotherapy 41, no. 7 (1997): 1482–87. http://dx.doi.org/10.1128/aac.41.7.1482.

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Resistance to antifungal drugs, specifically azoles such as fluconazole, in the opportunistic yeast Candida albicans has become an increasing problem in human immunodeficiency virus (HIV)-infected individuals. The molecular mechanisms responsible for this resistance have only recently become apparent and can include alterations in the target enzyme of the azole drugs (lanosterol 14alpha demethylase [14DM]), or in various efflux pumps from both the ABC transporter and major facilitator gene families. To determine which of these possible mechanisms was associated with the development of drug res
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48

Zanirato, Paolo, and Stefano Cerini. "On the utility of the azido transfer protocol: synthesis of 2- and 5-azido N-methylimidazoles, 1,3-thiazoles and N-methylpyrazole and their conversion to triazole–azole bisheteroaryls." Org. Biomol. Chem. 3, no. 8 (2005): 1508–13. http://dx.doi.org/10.1039/b500634a.

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49

Trang, Nguyen Van, Tran Ngoc Dung, Ngo Tuan Cuong та ін. "Theoretical Study of a Class of Organic D-π-A Dyes for Polymer Solar Cells: Influence of Various π-Spacers". Crystals 10, № 3 (2020): 163. http://dx.doi.org/10.3390/cryst10030163.

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A class of D-π-A compounds that can be used as dyes for applications in polymer solar cells has theoretically been designed and studied, on the basis of the dyes recently shown by experiment to have the highest power conversion efficiency (PCE), namely the poly[4,8-bis(5-(2-butylhexylthio)thiophen-2-yl)benzo[1,2-b:4,5-b’]dithiophene-2,6-diyl-alt-TZNT] (PBDTS-TZNT) and poly[4,8-bis(4-fluoro-5-(2-butylhexylthio)thiophen-2-yl)benzo[1,2-b:4,5-b’]dithiophene-2,6-diyl-alt-TZNT] (PBDTSF-TZNT) substances. Electronic structure theory computations were carried out with density functional theory and time
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50

Briand, O., R. Seux, M. Millet, and M. Clément. "Influence de la pluviométrie sur la contamination de l'atmosphère et des eaux de pluie par les pesticides." Revue des sciences de l'eau 15, no. 4 (2005): 767–87. http://dx.doi.org/10.7202/705480ar.

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Cette étude a pour objectif d'identifier les facteurs qui influencent la contamination des eaux de pluie par les produits phytosanitaires. Cinq sites contrastés ont été choisis de manière à être représentatifs des zones de productions légumières ou de plein champs et à couvrir les différents modes de contamination des précipitations. Il s'agit des sites de l'Ile de Ouessant, Landivisiau, Plouay, Ploufragan et Rennes. Les évènements pluvieux collectés sont choisis en fonction des caractéristiques de formation de la perturbation et du calendrier des épandages de pesticides. Par ailleurs, les con
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