NSTL国家科技图书文献中心

1. Study of multifunctional anti-AD ligands: design, synthesis, X-ray crystal structure and biological evaluation of diosmetin derivatives NSTL国家科技图书文献中心

Yang, Aihong | Yi, Xiaoyue ... - 《Molecular diversity》 - 2025,29(2) - 1323～1335 - 共13页

摘要： carbamate groups. The crystal* structure of 1 was analyzed* | by X-ray* diffraction, which showed a large* | conjugated coplanar structure* and might be favorable for* | The development of anti-AD drugs has attracted | much attention as the number of AD patients is

关键词： Alzheimer's disease | ChE inhibition | A beta(1-42) aggregation | Metal chelation | ROS | Molecular docking

2. Novel Ag(I)-based 1,2,4-Oxadiazole Complexes: Synthesis, X-Ray Crystal Structure, and Biological Evaluation as Anticancer Candidates NSTL国家科技图书文献中心

Ayoup, Mohammed Sala... | Alashhab, Rabia E.... - 《Applied Organometallic Chemistry》 - 2025,39(2) - 共12页

摘要： crystal X-ray diffraction. Complex 4 has the dinuclear | three novel Ag(I) complexes 4-6. The structure* of the* | The 3,5-diaryl-1,2,4-oxadiazole scaffolds 2 | and 3 were synthesized and used as ligands to obtain | Ag(I) complexes 4-6 has been confirmed by single

关键词： 1,2,4-oxadiazole | Ag(I) | ALDH2 | iNOS | trypsin | X-ray structure

3. Design, synthesis, X‐ray crystal structure, and antifungal evaluation of new acetohydrazide derivatives containing a 4‐thioquinazoline moiety NSTL国家科技图书文献中心

Guang‐Min Tian | Ming‐Yan Yi ... - 《Pest Management Science》 - 2025,81(3) - 1624～1637 - 共14页

摘要： verified by single‐crystal* X‐ray diffraction measurement* | , and the molecular structure* of compound A2 was* | Abstract BACKGROUND To find efficient | agricultural fungicides, 29 new 4‐thioquinazoline‐containing | acetohydrazide derivatives were prepared and tested for their

关键词： acetohydrazide | 4‐thioquinazoline | antifungal activity | SDH inhibitor | antifungal mechanisms

4. Novel Ag(I)-based 1,2,4-Oxadiazole Complexes:Synthesis,X-Ray Crystal Structure,and Biological Evaluation as Anticancer Candidates NSTL国家科技图书文献中心

Mohammed Salah Ayoup | Rabia E.Alashhab ... - 《Applied Organometallic Chemistry》 - 2025,39(2) - e7804～12 - 共12页

摘要： crystal X-ray diffraction.Complex 4 has the di-nuclear | three novel Ag(I)complexes 4-6.The structure* of the Ag* | The 3,5-diaryl-1,2,4-oxadiazole scaffolds 2 | and 3 were synthesized and used as ligands to obtain | (I)complexes 4-6 has been confirmed by single

关键词： 1,2,4-oxadiazole | Ag(I) | ALDH2 | iNOS | trypsin | X-ray structure

5. Structural and Functional Information of Human Hemoglobin Subunit μ NSTL国家科技图书文献中心

Han, Hui | Liu, Xichun ... - 《Chembiochem》 - 2025,26(8) - n/a～n/a - 共6页

摘要： and solved its X-ray* crystal structure. It adopts a | the alpha-subunit. The structure also reveals that* | site. The structure-function relationship of Hb-mu | The human hemoglobin subunit mu (Hb-mu) has | been identified as a potential biomarker for alpha

关键词： Hemoglobin | Subunits | Self-oxidation | Met sulfoxide | X-ray crystal structure

6. Synthesis, Structure, Frontier Orbitals and Reactivity of Ph3GeN(SiMe3)2: Rare Crystal Structure of a Germylamine NSTL国家科技图书文献中心

Vanessa A. Fortney | Laura M. Levescy ... - 《Chemistry,an Asian journal》 - 2025,20(3) - e202401274.1～e202401274.5 - 共5页

摘要： synthesized from Ph3GeCl and LiN(SiMe)2 and its X‐ray | crystal structure was determined. This structure | . The structure* of Ph3GeN(SiMe3)2 was calculated using* | Abstract The germylamine Ph3GeN(SiMe3)2 was | represents only the fourth crystallographically

关键词： Acid fluorides | Amidation reactions | Germanium | Germylamines | X-ray crystal structure

7. Design and synthesis of two new thiosemicarbazide based Schiff base metal complexes of nickel (II): DNA binding study and cytotoxicity profile analysis NSTL国家科技图书文献中心

Chowdhury, Manas | Biswas, Niladri ... - 《Inorganica Chimica Acta》 - 2025,574 - 共14页

摘要：, elemental analysis, and single crystal X-ray structure | analysis. X-ray* crystal structure analysis reveal that* | Two new nickel (II) substituted | thiosemicarbazone Schiff base complexes [Ni(meph)2] (1) [where H(2 | )meph = (2E)-N-methyl-2-[1-(pyridin-2-yl)ethylidene

关键词： Nickel(II) | Schiff base complex | X-ray crystal structure | DNA binding | Cytotoxicity

8. Crystal structure, Hirshfeld surface analysis, and DFT theoretical studies of an azobenzene derivative from powder X-ray diffraction NSTL国家科技图书文献中心

Paramita,Chatterjee - 《Structural Chemistry》 - 2025,36(2) - 543～556 - 共14页

摘要：-ray diffraction was utilized to identify the crystal | photosensitive trans-azobenzene derivative. Powder data from X | structure of 4-(phenylazo)benzoic acid by applying the | crystal stabilization of the azobenzene derivative | Abstract 4-(phenylazo)benzoic acid is a

关键词： Azobenzene derivative | Powder data | Hirshfeld surface | DFT | UV spectroscopy

9. Synthesis and crystal structure of the complex [Rb 3 (CYH 2 ) 3 (CYH 3 )(H 2 O) 4 ] (CYH 3 = isocyanuric acid): An interesting case of disordered sub-structure, ordered super-structure NSTL国家科技图书文献中心

Isaia, Francesco | Garau, Alessandra ... - 《Inorganica Chimica Acta》 - 2025,574 - 共7页

摘要：)(3)(CYH3)(H2O)(4)] was refined from X-ray | interactions in the crystal* structure. The low value of void* | )(CYH3)(H2O)(4)]. The ordered structure* of [Rb-3(CYH2* | diffraction data, using a super-structure* unit cell with a* | percent in the crystal* packing, to which the presence of*

关键词： Cyanuric acid | Rb/K compound | X-ray crystal structure | Hydrogen bond interaction | Hirshfeld surface analysis

10. Two novel Aroyl Hydrazones from 4-methoxybenzhydrazide: comprehensive study including synthesis, X-ray crystallography, DFT analysis, antibacterial activity and molecular docking NSTL国家科技图书文献中心

Reshma, P. R. | Tom, Lincy ... - 《Journal of Molecular Structure》 - 2025,1335 - 共14页

摘要： single crystal* X-ray diffraction, 1HNMR, FT-IR, UV-Vis* | bacterium Staphylococcus aureus. To gain structure | Two novel aroylhydrazones, 1H-indole-2,3-dione | 4-methoxybenzhydrazone (1) and 2-(4-chlorobenzoyl | )pyridine 4-methoxybenzhydrazone (2), were synthesized by

摘要： carbamate groups. The crystal* structure of 1 was analyzed* | by X-ray* diffraction, which showed a large* | conjugated coplanar structure* and might be favorable for* | The development of anti-AD drugs has attracted | much attention as the number of AD patients is

关键词： Alzheimer's disease | ChE inhibition | A beta(1-42) aggregation | Metal chelation | ROS | Molecular docking

摘要： crystal X-ray diffraction. Complex 4 has the dinuclear | three novel Ag(I) complexes 4-6. The structure* of the* | The 3,5-diaryl-1,2,4-oxadiazole scaffolds 2 | and 3 were synthesized and used as ligands to obtain | Ag(I) complexes 4-6 has been confirmed by single

关键词： 1,2,4-oxadiazole | Ag(I) | ALDH2 | iNOS | trypsin | X-ray structure

摘要： verified by single‐crystal* X‐ray diffraction measurement* | , and the molecular structure* of compound A2 was* | Abstract BACKGROUND To find efficient | agricultural fungicides, 29 new 4‐thioquinazoline‐containing | acetohydrazide derivatives were prepared and tested for their

关键词： acetohydrazide | 4‐thioquinazoline | antifungal activity | SDH inhibitor | antifungal mechanisms

摘要： crystal X-ray diffraction.Complex 4 has the di-nuclear | three novel Ag(I)complexes 4-6.The structure* of the Ag* | The 3,5-diaryl-1,2,4-oxadiazole scaffolds 2 | and 3 were synthesized and used as ligands to obtain | (I)complexes 4-6 has been confirmed by single

关键词： 1,2,4-oxadiazole | Ag(I) | ALDH2 | iNOS | trypsin | X-ray structure

摘要： and solved its X-ray* crystal structure. It adopts a | the alpha-subunit. The structure also reveals that* | site. The structure-function relationship of Hb-mu | The human hemoglobin subunit mu (Hb-mu) has | been identified as a potential biomarker for alpha

关键词： Hemoglobin | Subunits | Self-oxidation | Met sulfoxide | X-ray crystal structure

摘要： synthesized from Ph3GeCl and LiN(SiMe)2 and its X‐ray | crystal structure was determined. This structure | . The structure* of Ph3GeN(SiMe3)2 was calculated using* | Abstract The germylamine Ph3GeN(SiMe3)2 was | represents only the fourth crystallographically

关键词： Acid fluorides | Amidation reactions | Germanium | Germylamines | X-ray crystal structure

摘要：, elemental analysis, and single crystal X-ray structure | analysis. X-ray* crystal structure analysis reveal that* | Two new nickel (II) substituted | thiosemicarbazone Schiff base complexes [Ni(meph)2] (1) [where H(2 | )meph = (2E)-N-methyl-2-[1-(pyridin-2-yl)ethylidene

关键词： Nickel(II) | Schiff base complex | X-ray crystal structure | DNA binding | Cytotoxicity

摘要：-ray diffraction was utilized to identify the crystal | photosensitive trans-azobenzene derivative. Powder data from X | structure of 4-(phenylazo)benzoic acid by applying the | crystal stabilization of the azobenzene derivative | Abstract 4-(phenylazo)benzoic acid is a

关键词： Azobenzene derivative | Powder data | Hirshfeld surface | DFT | UV spectroscopy

摘要：)(3)(CYH3)(H2O)(4)] was refined from X-ray | interactions in the crystal* structure. The low value of void* | )(CYH3)(H2O)(4)]. The ordered structure* of [Rb-3(CYH2* | diffraction data, using a super-structure* unit cell with a* | percent in the crystal* packing, to which the presence of*

关键词： Cyanuric acid | Rb/K compound | X-ray crystal structure | Hydrogen bond interaction | Hirshfeld surface analysis

摘要： single crystal* X-ray diffraction, 1HNMR, FT-IR, UV-Vis* | bacterium Staphylococcus aureus. To gain structure | Two novel aroylhydrazones, 1H-indole-2,3-dione | 4-methoxybenzhydrazone (1) and 2-(4-chlorobenzoyl | )pyridine 4-methoxybenzhydrazone (2), were synthesized by

关键词： Aroylhydrazones | 4-methoxybenzhydrazide | X-ray crystal structure | DFT | Antibacterial activity | Molecular docking | ADME

4008-161-200 800-990-8900

国家科技图书文献中心

摘要： carbamate groups. The crystal structure of 1 was analyzed | by X-ray diffraction, which showed a large | conjugated coplanar structure and might be favorable for | The development of anti-AD drugs has attracted | much attention as the number of AD patients is

关键词： Alzheimer's disease | ChE inhibition | A beta(1-42) aggregation | Metal chelation | ROS | Molecular docking

摘要： crystal X-ray diffraction. Complex 4 has the dinuclear | three novel Ag(I) complexes 4-6. The structure of the | The 3,5-diaryl-1,2,4-oxadiazole scaffolds 2 | and 3 were synthesized and used as ligands to obtain | Ag(I) complexes 4-6 has been confirmed by single

关键词： 1,2,4-oxadiazole | Ag(I) | ALDH2 | iNOS | trypsin | X-ray structure

摘要： verified by single‐crystal X‐ray diffraction measurement | , and the molecular structure of compound A2 was | Abstract BACKGROUND To find efficient | agricultural fungicides, 29 new 4‐thioquinazoline‐containing | acetohydrazide derivatives were prepared and tested for their

关键词： acetohydrazide | 4‐thioquinazoline | antifungal activity | SDH inhibitor | antifungal mechanisms

摘要： crystal X-ray diffraction.Complex 4 has the di-nuclear | three novel Ag(I)complexes 4-6.The structure of the Ag | The 3,5-diaryl-1,2,4-oxadiazole scaffolds 2 | and 3 were synthesized and used as ligands to obtain | (I)complexes 4-6 has been confirmed by single

关键词： 1,2,4-oxadiazole | Ag(I) | ALDH2 | iNOS | trypsin | X-ray structure

摘要： and solved its X-ray crystal structure. It adopts a | the alpha-subunit. The structure also reveals that | site. The structure-function relationship of Hb-mu | The human hemoglobin subunit mu (Hb-mu) has | been identified as a potential biomarker for alpha

关键词： Hemoglobin | Subunits | Self-oxidation | Met sulfoxide | X-ray crystal structure

摘要： synthesized from Ph3GeCl and LiN(SiMe)2 and its X‐ray | crystal structure was determined. This structure | . The structure of Ph3GeN(SiMe3)2 was calculated using | Abstract The germylamine Ph3GeN(SiMe3)2 was | represents only the fourth crystallographically

关键词： Acid fluorides | Amidation reactions | Germanium | Germylamines | X-ray crystal structure

摘要：, elemental analysis, and single crystal X-ray structure | analysis. X-ray crystal structure analysis reveal that | Two new nickel (II) substituted | thiosemicarbazone Schiff base complexes [Ni(meph)2] (1) [where H(2 | )meph = (2E)-N-methyl-2-[1-(pyridin-2-yl)ethylidene

关键词： Nickel(II) | Schiff base complex | X-ray crystal structure | DNA binding | Cytotoxicity

摘要：-ray diffraction was utilized to identify the crystal | photosensitive trans-azobenzene derivative. Powder data from X | structure of 4-(phenylazo)benzoic acid by applying the | crystal stabilization of the azobenzene derivative | Abstract 4-(phenylazo)benzoic acid is a

关键词： Azobenzene derivative | Powder data | Hirshfeld surface | DFT | UV spectroscopy

摘要：)(3)(CYH3)(H2O)(4)] was refined from X-ray | interactions in the crystal structure. The low value of void | )(CYH3)(H2O)(4)]. The ordered structure of [Rb-3(CYH2 | diffraction data, using a super-structure unit cell with a | percent in the crystal packing, to which the presence of

关键词： Cyanuric acid | Rb/K compound | X-ray crystal structure | Hydrogen bond interaction | Hirshfeld surface analysis

摘要： single crystal X-ray diffraction, 1HNMR, FT-IR, UV-Vis | bacterium Staphylococcus aureus. To gain structure | Two novel aroylhydrazones, 1H-indole-2,3-dione | 4-methoxybenzhydrazone (1) and 2-(4-chlorobenzoyl | )pyridine 4-methoxybenzhydrazone (2), were synthesized by

关键词： Aroylhydrazones | 4-methoxybenzhydrazide | X-ray crystal structure | DFT | Antibacterial activity | Molecular docking | ADME

4008-161-200 800-990-8900

国家科技图书文献中心

摘要： carbamate groups. The crystal* structure of 1 was analyzed* | by X-ray* diffraction, which showed a large* | conjugated coplanar structure* and might be favorable for* | The development of anti-AD drugs has attracted | much attention as the number of AD patients is

摘要： crystal X-ray diffraction. Complex 4 has the dinuclear | three novel Ag(I) complexes 4-6. The structure* of the* | The 3,5-diaryl-1,2,4-oxadiazole scaffolds 2 | and 3 were synthesized and used as ligands to obtain | Ag(I) complexes 4-6 has been confirmed by single

摘要： verified by single‐crystal* X‐ray diffraction measurement* | , and the molecular structure* of compound A2 was* | Abstract BACKGROUND To find efficient | agricultural fungicides, 29 new 4‐thioquinazoline‐containing | acetohydrazide derivatives were prepared and tested for their

摘要： crystal X-ray diffraction.Complex 4 has the di-nuclear | three novel Ag(I)complexes 4-6.The structure* of the Ag* | The 3,5-diaryl-1,2,4-oxadiazole scaffolds 2 | and 3 were synthesized and used as ligands to obtain | (I)complexes 4-6 has been confirmed by single

摘要： and solved its X-ray* crystal structure. It adopts a | the alpha-subunit. The structure also reveals that* | site. The structure-function relationship of Hb-mu | The human hemoglobin subunit mu (Hb-mu) has | been identified as a potential biomarker for alpha

摘要： synthesized from Ph3GeCl and LiN(SiMe)2 and its X‐ray | crystal structure was determined. This structure | . The structure* of Ph3GeN(SiMe3)2 was calculated using* | Abstract The germylamine Ph3GeN(SiMe3)2 was | represents only the fourth crystallographically

摘要：, elemental analysis, and single crystal X-ray structure | analysis. X-ray* crystal structure analysis reveal that* | Two new nickel (II) substituted | thiosemicarbazone Schiff base complexes [Ni(meph)2] (1) [where H(2 | )meph = (2E)-N-methyl-2-[1-(pyridin-2-yl)ethylidene

摘要：)(3)(CYH3)(H2O)(4)] was refined from X-ray | interactions in the crystal* structure. The low value of void* | )(CYH3)(H2O)(4)]. The ordered structure* of [Rb-3(CYH2* | diffraction data, using a super-structure* unit cell with a* | percent in the crystal* packing, to which the presence of*

摘要： single crystal* X-ray diffraction, 1HNMR, FT-IR, UV-Vis* | bacterium Staphylococcus aureus. To gain structure | Two novel aroylhydrazones, 1H-indole-2,3-dione | 4-methoxybenzhydrazone (1) and 2-(4-chlorobenzoyl | )pyridine 4-methoxybenzhydrazone (2), were synthesized by