Search Results - "Mol, G"

Effects of deep brain stimulation on cognitive functioning in treatment-resistant depression: a systematic review and meta-analysis by Runia, N., Mol, G. J. J., Hillenius, T., Hassanzadeh, Z., Denys, D. A. J. P., Bergfeld, I. O.

“…Deep brain stimulation (DBS) is a promising intervention for treatment-resistant depression (TRD). Effects on cognitive functioning are unclear since they have…”
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A full-document analysis of the semantic relation between European Public Assessment Reports and EMA guidelines using a BERT language model by Bergman, Erik, Pasmooij, Anna Maria Gerdina, Mol, Peter G M, Westman, Gabriel

“…In the European Union, the Committee for Medicinal Products for Human Use of the European Medicines Agency (EMA) develop guidelines to guide drug development,…”
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An Investigation on the Molecular Structure, Anti-Inflammatory Ability of (E) -3-(3-Chlorophenyl)- N-(4-Hydroxy-3-Methoxy Benzyl) Acryl Amide: DFT Calculations and Docking Simulations by G. P., Sheeja Mol, Dhas, Arul, Joe, I. Hubert, Nadh, Anuroopa G.

“…The present work identified to study of the structural parameters and anti-inflammatory activity of (E)-3-(3-chlorophenyl)-N-(4-hydroxy-3-methoxy benzyl) acryl…”
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Spectroscopic (FT-IR, FT-Raman, UV–Vis and NMR) and computational (DFT, MESP, NBO, NCI, LOL, ELF, RDG and QTAIM) profiling of 5‑chloro-2‑hydroxy-3-methoxybenzaldehyde: A promising antitumor agent by Kumar, A. Ram, Ilavarasan, L., Mol, G.P. Sheeja, Selvaraj, S., Azam, Mohammad, Jayaprakash, P., Kesavan, M., Alam, Mahboob, Dhanalakshmi, J., Al-Resayes, Saud I., Ravi, A.

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Comparison of spectroscopic, structural, and molecular docking studies of 5-nitro-2-fluoroaniline and 2-nitro-5-fluoroaniline: An attempt on fluoroaniline isomers by Ram Kumar, A., Selvaraj, S., Anthoniammal, P., Jothi Ramalingam, R., Balu, Ranjith, Jayaprakash, P., Sheeja Mol, G.P.

“…•Fluoroaniline isomers were examined computationally.•The proximity of the NH2 and NO2 groups of 2N5FA facilitates the O…H interaction.•Fluorine-linked carbon…”
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Modeling the structural and reactivity properties of capsaicin [(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide] wavefunction-dependent properties, pharmacokinetics, in-silico analysis, and molecular dynamics simulation by Sheeja Mol, G.P., Aruldhas, D., Joe, I. Hubert, Selvaraj, S., Nadh, Anuroopa G.

“…•The Phytochemical extraction and GC–MS analysis of Capsaicin are carried out.•The Topology analyses, reactivity analyses, and wave function analyses of…”
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Determination of Glyphosate Levels in Breast Milk Samples from Germany by LC-MS/MS and GC-MS/MS by Steinborn, Angelika, Alder, Lutz, Michalski, Britta, Zomer, Paul, Bendig, Paul, Martinez, Sandra Aleson, Mol, Hans G. J, Class, Thomas J, Costa Pinheiro, Nathalie

“…This study describes the validation and application of two independent analytical methods for the determination of glyphosate in breast milk. They are based on…”
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Synthesis, solvent-solute interactions (polar and non-polar), spectroscopic insights, topological aspects, Fukui functions, molecular docking, ADME, and donor-acceptor investigations of 2-(trifluoromethyl)benzimidazole: A promising candidate for antitumor pharmacotherapy by Ram Kumar, A., Selvaraj, S., Sheeja Mol, G.P., Selvaraj, M., Ilavarasan, L., Pandey, Sarvesh Kumar, Jayaprakash, P., Awasthi, Shikha, Albormani, Omeer, Ravi, A.

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Toward a Generic Extraction Method for Simultaneous Determination of Pesticides, Mycotoxins, Plant Toxins, and Veterinary Drugs in Feed and Food Matrixes by Mol, Hans G. J, Plaza-Bolaños, Patricia, Zomer, Paul, de Rijk, Theo C, Stolker, Alida A. M, Mulder, Patrick P. J

“…A fast and straightforward generic procedure for the simultaneous extraction of various classes of pesticides, mycotoxins, plant toxins, and veterinary drugs…”
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The significance of soils and soil science towards realization of the United Nations Sustainable Development Goals by Keesstra, Saskia D., Bouma, Johan, Wallinga, Jakob, Tittonell, Pablo, Smith, Pete, Cerdà, Artemi, Montanarella, Luca, Quinton, John N., Pachepsky, Yakov, van der Putten, Wim H., Bardgett, Richard D., Moolenaar, Simon, Mol, Gerben, Jansen, Boris, Fresco, Louise O.

“…In this forum paper we discuss how soil scientists can help to reach the recently adopted UN Sustainable Development Goals (SDGs) in the most effective manner…”
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Qualitative aspects and validation of a screening method for pesticides in vegetables and fruits based on liquid chromatography coupled to full scan high resolution (Orbitrap) mass spectrometry by Mol, Hans G. J., Zomer, Paul, de Koning, Maarten

“…The analytical capabilities of liquid chromatography with single-stage high-resolution mass spectrometry have been investigated with emphasis on qualitative…”
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Structural activity, fungicidal activity and molecular dynamics simulation of certain triphenyl methyl imidazole derivatives by experimental and computational spectroscopic techniques by Sheeja Mol, G.P., Aruldhas, D., Hubert Joe, I., Balachandran, S., Ronaldo Anuf, A., George, Jesby, Nadh, Anuroopa G.

“…The main objective of the study is to analyze the structural behaviour and fungicidal activity of clotrimazole by experimental and theoretical spectroscopic…”
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Use of electron ionization and atmospheric pressure chemical ionization in gas chromatography coupled to time-of-flight mass spectrometry for screening and identification of organic pollutants in waters by Portolés, Tania, Mol, Johannes G.J., Sancho, Juan V., Hernández, Félix

“…•The new APCI designed for GC promotes soft ionization.•Wide scope screening is favoured by the expected presence of the M+·/MH+.•Fragmentation occurred under…”
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Chemical reactivity, molecular electrostatic potential and in-silico analysis on benzimidazole fungicide benomyl by Mol, G.P. Sheeja, Aruldhas, D., Joe, I. Hubert

“…We are reporting theoretical concepts and biological activity of benomyl using different techniques. The molecular orbital contributions are studied by using…”
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Persistence of glyphosate and aminomethylphosphonic acid in loess soil under different combinations of temperature, soil moisture and light/darkness by Bento, Célia P.M., Yang, Xiaomei, Gort, Gerrit, Xue, Sha, van Dam, Ruud, Zomer, Paul, Mol, Hans G.J., Ritsema, Coen J., Geissen, Violette

“…The dissipation kinetics of glyphosate and its metabolite aminomethylphosphonic acid (AMPA) were studied in loess soil, under biotic and abiotic conditions, as…”
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Effect of antithrombotic stewardship on the efficacy and safety of antithrombotic therapy during and after hospitalization by Dreijer, Albert R, Kruip, Marieke J H A, Diepstraten, Jeroen, Polinder, Suzanne, Brouwer, Rolf, Mol, Peter G M, Croles, F Nanne, Kragten, Esther, Leebeek, Frank W G, van den Bemt, Patricia M L A

“…Although the benefits of antithrombotic drugs are indisputable to reduce thrombotic events, they carry a high risk of compromising patient safety. No previous…”
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Exploring the potential of diosgenin as a promising antitumor agent through comprehensive spectroscopic characterization, solvent–solute interactions, topological properties, Hirshfeld surface, and molecular docking interactions with 2NZT and 2I1V proteins by Ram Kumar, A., Selvaraj, S., Vickram, A.S., Sheeja Mol, G.P., Awasthi, Shikha, Thirunavukkarasu, M., Selvaraj, Manickam, Basumatary, Sanjay

“…[Display omitted] •Diosgenin was characterized by theoretical and experimental spectroscopic methods.•Electronic properties and MEP were investigated in…”
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Application of gas chromatography–(triple quadrupole) mass spectrometry with atmospheric pressure chemical ionization for the determination of multiclass pesticides in fruits and vegetables by Cherta, Laura, Portolés, Tania, Beltran, Joaquim, Pitarch, Elena, Mol, Johannes G.J., Hernández, Félix

“…•A GC–(APCI) MS/MS quantitative method has been developed for 142 pesticides.•Validation was performed using orange, tomato and carrot samples.•SRM method…”
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Spectroscopic, Biological, and Topological Insights on Lemonol as a Potential Anticancer Agent by Ram Kumar, A., Selvaraj, S., Azam, Mohammad, Sheeja Mol, G.P., Kanagathara, N., Alam, Mahboob, Jayaprakash, P.

“…A monoterpene alcohol known as lemonol was investigated experimentally as well as theoretically in order to gain insights into its geometrical structure,…”
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Strategic recommendations from the STARS project to foster academic drug development by Starokozhko, Viktoriia, Heß, Anne, Löbker, Wiebke, Ballensiefen, Wolfgang, Agricola, Eleonora, Ziegele, Bettina, Kallio, Marko J., O’Dwyer, Laurence, Nuevo, Yoana, Mol, Peter G. M., Pasmooij, Anna M. G.

“…Improved understanding of regulatory requirements by academic researchers can accelerate the translation of new medical interventions to the clinic. Here, we…”
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