Sökresultat - "Molecular structure"

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Impact of molecular structure on the biological removal efficiency of fluoroquinolone antibiotics: An in-silico approach.

Xiao W; College of Water Sciences, Beijing Normal University, Beijing 100875, People's Republic of China., Bian Z; College of Water Sciences, Beijing Normal University, Beijing 100875, People's Republic of China. Electronic address: bian@bnu.edu.cn.

Journal Article , 2024

Humidity Effect on Adsorption Kinetics of Aromatic and Chlorinated Hydrocarbon Vapors onto Fe2O3 Based Sensor.

Can, Nursel¹ can@yildiz.edu.tr

Experiments and numerical modeling of the visco-hyperelastic behaviors of polyelectrolyte elastomers.

Adibeig, Mohammad Reza¹ (AUTHOR), Yang, Canhui¹ (AUTHOR) yangch@sustech.edu.cn

QSPR modeling of some COVID-19 drugs using neighborhood eccentricity-based topological indices: A comparative analysis.

Kara, Yeliz¹ (AUTHOR), Özkan, Yeşim Saǧlam¹ (AUTHOR), Ullah, Asad² (AUTHOR), Hamed, Yasser Salah³ (AUTHOR), Belay, Melaku Berhe^4,5 (AUTHOR) melaku.berhe@aastu.edu.et

A Fast and Efficient Hydrogen Chloride Sensor Based on a Polymer Composite Film Using a Novel Schiff-Based Triphenylamine Molecule as the Probe.

Lv, Hao¹ (AUTHOR), Guo, Yaning^1,2 (AUTHOR), Han, Yinfeng¹ (AUTHOR), Ye, Jiaxin^1,2 (AUTHOR), Xiao, Jian^1,2 (AUTHOR), Hu, Xiaobing^1,2 (AUTHOR)

Correlating the Effects of UV Aging on the Macro-Micro Behaviors of Asphalt with Its Molecular Mechanisms.

Xi, Han^1,2 (AUTHOR), Kong, Lingyun^2,3 (AUTHOR) konglingyun@cqjtu.edu.cn, Hu, Shixiong^1,3 (AUTHOR), Zhu, Songxiang^1,2 (AUTHOR)

Deep Eutectic Solvent Assisted Mechano-Enzymatic Preparation for Reprocessable Hot-Melting Starch: A Comprehensive Analysis of Molecular Structure and Thermal Properties.

Liu, Xuan¹ (AUTHOR), Man, Jia² (AUTHOR), Li, Yanhui^1,3 (AUTHOR), Wang, Liming^1,2 (AUTHOR), Ji, Maocheng² (AUTHOR), Peng, Sixian^2,3 (AUTHOR), Li, Junru¹ (AUTHOR), Wang, Shen^2,3 (AUTHOR), Li, Fangyi² (AUTHOR), Zhang, Chuanwei¹ (AUTHOR)

Knowledge-aware contrastive heterogeneous molecular graph learning.

Chen, Mukun¹ (AUTHOR), Wu, Jia² (AUTHOR), Pan, Shirui³ (AUTHOR), Lin, Fu¹ (AUTHOR), Du, Bo¹ (AUTHOR), Gong, Xiuwen⁴ (AUTHOR), Hu, Wenbin^1,5 (AUTHOR) hwb@whu.edu.cn

Preparation and performance evaluation of polymer intercalated montmorillonite composite high temperature scale inhibitor.

Zhang, Bojian¹ (AUTHOR) zhangbojian@petrochina.com.cn, Liu, Youquan¹ (AUTHOR), Xiong, Ying¹ (AUTHOR), Fu, Cheng¹ (AUTHOR), Wang, Xianbing² (AUTHOR)

COMPUTATIONAL DETAILS OF MOLECULAR STRUCTURE, SPECTROSCOPIC PROPERTIES, DFT CALCULATIONS AND MOLECULAR DOCKING STUDY OF SOME 1,4-DISUBSTITUTED-1,2,3-TRIAZOLE DERIVATIVES DERIVED FROM 4-AMINOBENZEN SULFONIC ACID.

Kadhim Mazyed, Hawraa Abdul¹, Imran, Noor Hameed¹, Mohammed, Shaymaa Adil¹, Munahi, Murad G.² muradmunahi@mu.edu.iq, Nahi, Riyadh J.^1,3

Helix Folding in One Dimension: Effects of Proline Co-Solvent on Free Energy Landscape of Hydrogen Bond Dynamics in Alanine Peptides.

Kuczera, Krzysztof^1,2 (AUTHOR)

Synthesis and Characterization of Fully Bio-Based Butylene Succinate Oligomers with Varying Molecular Weights for Sustainable Food Packaging Applications.

Olivas-Alonso, Carmen¹ (AUTHOR), Flores, Yaiza^1,2 (AUTHOR), Martínez de Ilarduya, Antxon^1,2 (AUTHOR), Chiralt, Amparo^1,2 (AUTHOR), Torres-Giner, Sergio¹ (AUTHOR) storresginer@upv.es

Study of Mathematical Models Describing the Thermal Decomposition of Polymers Using Numerical Methods.

Zhumanazarova, Gaziza M.¹ (AUTHOR), Sarsenbekova, Akmaral Zh.² (AUTHOR) chem_akmaral@mail.ru, Abulyaissova, Lyazzat K.^2,3 (AUTHOR), Figurinene, Irina V.^3,4 (AUTHOR), Zhaslan, Rymgul K.¹ (AUTHOR), Makhmutova, Almagul S.^2,3 (AUTHOR), Sotchenko, Raissa K.³ (AUTHOR), Aikynbayeva, Gulzat M.^2,4 (AUTHOR), Hranicek, Jakub⁴ (AUTHOR)

The Application of Glycolipid-Type Microbial Biosurfactants as Active Pharmaceutical Ingredients for the Treatment and Prevention of Cancer.

McMahon, Aileen M. B.¹ (AUTHOR), Twigg, Matthew S.¹ (AUTHOR), Marchant, Roger¹ (AUTHOR), Banat, Ibrahim M.¹ (AUTHOR) im.banat@ulster.ac.uk

QSPR analysis of amino acids for the family of Gourava indices.

Sarwar, Khadija¹ (AUTHOR), Kanwal, Salma¹ (AUTHOR) salma.kanwal@lcwu.edu.pk, Razzaque, Asima^2,3 (AUTHOR)

Superconformal Electrodeposition of Cobalt into Micron-Scale Trench with Alkynol Derivatives.

Xu, Wei^1,2 (AUTHOR), Li, Yedi² (AUTHOR), Wu, Tingjun^1,2,3 (AUTHOR) tjwu@mail.sim.ac.cn, Duan, Yu^1,2 (AUTHOR), Zhu, Lei^2,3 (AUTHOR), Liu, Qiang^2,3 (AUTHOR), Wang, Yiying² (AUTHOR), Yu, Wenjie^1,2,3 (AUTHOR)

Improved Synthesis of Effective 3-(Indolin-6-yl)-4-(N -pyrazole-sulfonamide)-1 H -pyrrolo[2,3- b ]pyridine-Based Inhibitors of NADPH Oxidase 2.

Potapov, Konstantin V.^1,2 (AUTHOR), Platonov, Dmitry N.² (AUTHOR), Belyy, Alexander Yu.^1,2 (AUTHOR), Novikov, Maxim A.^1,2 (AUTHOR) kristina.mukhina@gmail.com, Tomilov, Yury V.² (AUTHOR), Anashkina, Anastasia A.¹ (AUTHOR), Mukhina, Kristina A.¹ (AUTHOR), Kechko, Olga I.¹ (AUTHOR), Solyev, Pavel N.¹ (AUTHOR) duospirit@gmail.com, Novikov, Roman A.^1,2 (AUTHOR), Makarov, Alexander A.¹ (AUTHOR), Mitkevich, Vladimir A.¹ (AUTHOR)

Surface Chemistry and Molecular Dynamics of Epoxy Resin: Insights from Analysis During Curing and Post-Curing Processes.

Tofanica, Bogdan-Marian¹ (AUTHOR), Ungureanu, Elena^1,2 (AUTHOR) elena.ungureanu@iuls.ro, Awaja, Firas^1,2 (AUTHOR)

Dependence of energy relaxation and vibrational coherence on the location of light-harvesting chromoproteins in photosynthetic antenna protein complexes.

Tsubouchi, Masaaki^1,2 (AUTHOR) tsubouchi.masaaki@qst.go.jp, Ishii, Nobuhisa¹ (AUTHOR), Fujita, Takatoshi² (AUTHOR), Adachi, Motoyasu² (AUTHOR), Itakura, Ryuji¹ (AUTHOR)