NSTL国家科技图书文献中心

1. Neutral oligosaccharides from ginseng (Panax ginseng) residues vs. neutral ginseng polysaccharides: A comparative study of structure elucidation and biological activity NSTL国家科技图书文献中心

Tao L. | Zhang J.... - 《Food Chemistry》 - 2025,464(Feb.1 Pt.1) - 1.1～1.12 - 共12页

摘要：© 2024 Elsevier LtdThis study aimed to compare | the structural and biological activities of neutral | ginseng residue oligosaccharides (GRO-N) and neutral | ginseng polysaccharides (GP-N). Their structures of GRO | -N and GP-N were established based on their

关键词： Immune activity | Neutral ginseng polysaccharides | Neutral ginseng residue oligosaccharides | Panax ginseng | Structure elucidation

2. NMR-based structure elucidation and chiral separation of N-cyclohexylmethylone, a novel designer drug NSTL国家科技图书文献中心

Seibert, Elisabeth | Kunert, Olaf ... - 《Forensic science international》 - 2025,367 - 112351～112351 - 共4页

摘要：Synthetic cathinones belong to one of the | biggest and most popular classes of New Psychoactive | Substances. Each year, new derivatives appear on the drug | market, traded under various labels like "bath salts | " or "legal highs". In recent years, the emergence of

关键词： Legal highs | Synthetic cathinones | Enantioseparation | 1-(1 | 3-benzodioxol-5-yl)-2-(cyclohexylamino) | propan-1-one

3. Synthesis, crystal structure elucidation, theoretical characterization and thermochemistry analysis of the potential anticancer drug BFS NSTL国家科技图书文献中心

Marta Hoelm | Kinga Wzgarda-Raj ... - 《Acta crystallographica. Section C, Structural chemistry.》 - 2025,81(3) - 156～164 - 共9页

摘要： monoclinic space group P21/n, with its structure* stabilized* | The potential anticancer drug for leukemia | , butane‐1,4‐diyl bis(2,2,2‐trifluoroethane‐1‐sulfonate | ) (BFS), C8H12F6O6S2, a fluorine analogue of busulfan | , was synthesized and analyzed for the first time

关键词： crystal structure | potential anticancer drug | BFS | DFT calculations | conformational search | spectroscopic characterization | thermochemistry analysis | gravimetric method | solubility in water | busulfan analogue

4. Structure Elucidation of New Kavalactone Dimers From Alpinia zerumbet Pericarps Using NMR Calculations NSTL国家科技图书文献中心

Nishidono, Yuto | Tanaka, Ken - 《Magnetic Resonance in Chemistry》 - 2025,63(3) - 180～185 - 共6页

摘要：Alpinia zerumbet (Pers.) B.L.Burtt & R.M.Sm | , known as shell ginger, is an aromatic plant widely | distributed in tropical and subtropical regions. In Guizhou | Province of China, its mature fruits have been used by | the Miao people for the treatment of cardiovascular

关键词： 1H NMR | 13C NMR | Alpinia zerumbet | α‐pyrone | cyclobutane | DFT | NMR chemical shift calculations | H-1 NMR | C-13 NMR | alpha-pyrone

5. Forced Degradation Study of an Anti-Diabetic Drug Imeglimin: Impurity Profiling and Structure Elucidation Using LC-Q-ToF-MS/MS and NMR NSTL国家科技图书文献中心

Gogikar, Shiva Kumar | Sen, Sibu ... - 《Rapid Communications in Mass Spectrometry》 - 2025,39(5) - n/a～n/a - 共11页

摘要：. Structure* elucidation reveals a variety of products with* | were employed for structural elucidation. Zeneth and | RationaleThe present study aims to establish | structures of the degradation products of an anti-diabetic | drug, Imeglimin (IMG) approved for the treatment of

关键词： forced degradation | Imeglimin | LC-Q-ToF-MS/MS | metformin | toxicity | LC‐Q‐ToF‐MS/MS

6. An Unusual, Methylated Impurity in Diethyl Sulphate:Identification, Structure Elucidation, and Linkage with N-Methyllmpurityof An Active Pharmaceutical Ingredient NSTL国家科技图书文献中心

Nagesh A. Bhale | Ganesh Birajdar ... - 《Chemistry Select》 - 2025,10(21) - e04945～8 - 共8页

摘要： technique and its structure* was established as ethyl* | Diethyl sulphate(DES)is one of the most | economical and commonly used reagents for N-ethylation in | bulk manufacturing of active pharmaceutical | ingredients(API)and specialty chemicals. In synthesis of an

关键词： Bulk purity | Diethyl sulphate | Dimethyl sulphate | Ethyl methyl sulphate | Gas chromatography-mass spectrometry | Process impurity

7. Depsides from Origanum dictamnus and Satureja pilosa as selective inhibitors of carbonic anhydrases: Isolation, structure elucidation, X-ray crystallography NSTL国家科技图书文献中心

Paloukopoulou, Chari... | Ntagli, Ogouschan Sa...... - 《Archiv der Pharmazie》 - 2025,358(1) - e2400823～e2400823 - 共12页

摘要：In this study, four depsides were isolated | from Origanum dictamnus L. and Satureja pilosa Velen | . medicinal plants and their structures were assessed by | means of one-dimensional (1D)- and two-dimensional (2D | )-nuclear magnetic resonance, high resolution mass

关键词： carbonic anhydrases | depsides | dittanic acid | Origanum dictamnus | Satureja pilosa

8. Synthesis, structure elucidation, SC-XRD/DFT, molecular modelling simulations and DNA binding studies of 3,5-diphenyl-4,5-dihydro-1 H -pyrazole chalcones NSTL国家科技图书文献中心

Mustafa, Ghulam | Sabir, Sabreena ... - 《Journal of Biomolecular Structure and Dynamics》 - 2025,43(4) - 1831～1846 - 共16页

摘要： acid. The structure* elucidation of substituted* | Deoxyribonucleic acid (DNA) acts as the most | important intracellular target for various drugs | . Exploring the DNA binding interactions of small bioactive | molecules offers a structural guideline for designing new

关键词： Pyrazoline derivatives | X-ray diffraction | drug-DNA interaction | DFT | molecular docking

9. Novel Nordaucane Sesquiterpenoid and Sesquiterpene Lactone From Laserpitium Species: Isolation, Structure Elucidation, In Vitro, In Vivo, and In Silico Evaluation as Anticancer Agents NSTL国家科技图书文献中心

Gulec, Meltem | Senol, Halil ... - 《Phytochemical Analysis》 - 2025,36(3) - 846～865 - 共20页

摘要：IntroductionThis study explores the cytotoxic | activity-guided isolation of the underground parts of | Laserpitium hispidum M. Bieb and Laserpitium petrophilum | Boiss. & Heldr., which have not been previously | investigated.ObjectivesThe aim is to isolate and evaluate bioactive

关键词： activity-guided isolation | Caenorhabditis elegans | cytotoxicity | Laserpitium | molecular docking | molecular dynamics | activity‐guided isolation

10. Structure Elucidation and Sulfur Species Characterization of Asphaltenes Derived from Heavy Fuel Oil Using APPI (+) and ESI (+) FT-ICR Mass Spectrometry NSTL国家科技图书文献中心

Muhannad S. Al-Khela... | Muhammad N. Siddique...... - 《Arabian journal for science and engineering》 - 2025,50(6) - 3957～3969 - 共13页

摘要：%. Asphaltene average molecular structure* was predicted as C_* | Asphaltenes are the most complex and the least | understood portions of heavy oils. In the current study, a | powerful tool Fourier transform-ion cyclotron resonance | mass spectrometry (FT-ICR MS) coupled with positive

摘要：© 2024 Elsevier LtdThis study aimed to compare | the structural and biological activities of neutral | ginseng residue oligosaccharides (GRO-N) and neutral | ginseng polysaccharides (GP-N). Their structures of GRO | -N and GP-N were established based on their

关键词： Immune activity | Neutral ginseng polysaccharides | Neutral ginseng residue oligosaccharides | Panax ginseng | Structure elucidation

摘要：Synthetic cathinones belong to one of the | biggest and most popular classes of New Psychoactive | Substances. Each year, new derivatives appear on the drug | market, traded under various labels like "bath salts | " or "legal highs". In recent years, the emergence of

关键词： Legal highs | Synthetic cathinones | Enantioseparation | 1-(1 | 3-benzodioxol-5-yl)-2-(cyclohexylamino) | propan-1-one

摘要： monoclinic space group P21/n, with its structure* stabilized* | The potential anticancer drug for leukemia | , butane‐1,4‐diyl bis(2,2,2‐trifluoroethane‐1‐sulfonate | ) (BFS), C8H12F6O6S2, a fluorine analogue of busulfan | , was synthesized and analyzed for the first time

关键词： crystal structure | potential anticancer drug | BFS | DFT calculations | conformational search | spectroscopic characterization | thermochemistry analysis | gravimetric method | solubility in water | busulfan analogue

摘要：Alpinia zerumbet (Pers.) B.L.Burtt & R.M.Sm | , known as shell ginger, is an aromatic plant widely | distributed in tropical and subtropical regions. In Guizhou | Province of China, its mature fruits have been used by | the Miao people for the treatment of cardiovascular

关键词： 1H NMR | 13C NMR | Alpinia zerumbet | α‐pyrone | cyclobutane | DFT | NMR chemical shift calculations | H-1 NMR | C-13 NMR | alpha-pyrone

摘要：. Structure* elucidation reveals a variety of products with* | were employed for structural elucidation. Zeneth and | RationaleThe present study aims to establish | structures of the degradation products of an anti-diabetic | drug, Imeglimin (IMG) approved for the treatment of

关键词： forced degradation | Imeglimin | LC-Q-ToF-MS/MS | metformin | toxicity | LC‐Q‐ToF‐MS/MS

摘要： technique and its structure* was established as ethyl* | Diethyl sulphate(DES)is one of the most | economical and commonly used reagents for N-ethylation in | bulk manufacturing of active pharmaceutical | ingredients(API)and specialty chemicals. In synthesis of an

关键词： Bulk purity | Diethyl sulphate | Dimethyl sulphate | Ethyl methyl sulphate | Gas chromatography-mass spectrometry | Process impurity

摘要：In this study, four depsides were isolated | from Origanum dictamnus L. and Satureja pilosa Velen | . medicinal plants and their structures were assessed by | means of one-dimensional (1D)- and two-dimensional (2D | )-nuclear magnetic resonance, high resolution mass

关键词： carbonic anhydrases | depsides | dittanic acid | Origanum dictamnus | Satureja pilosa

摘要： acid. The structure* elucidation of substituted* | Deoxyribonucleic acid (DNA) acts as the most | important intracellular target for various drugs | . Exploring the DNA binding interactions of small bioactive | molecules offers a structural guideline for designing new

关键词： Pyrazoline derivatives | X-ray diffraction | drug-DNA interaction | DFT | molecular docking

摘要：IntroductionThis study explores the cytotoxic | activity-guided isolation of the underground parts of | Laserpitium hispidum M. Bieb and Laserpitium petrophilum | Boiss. & Heldr., which have not been previously | investigated.ObjectivesThe aim is to isolate and evaluate bioactive

关键词： activity-guided isolation | Caenorhabditis elegans | cytotoxicity | Laserpitium | molecular docking | molecular dynamics | activity‐guided isolation

摘要：%. Asphaltene average molecular structure* was predicted as C_* | Asphaltenes are the most complex and the least | understood portions of heavy oils. In the current study, a | powerful tool Fourier transform-ion cyclotron resonance | mass spectrometry (FT-ICR MS) coupled with positive

关键词： Asphaltenes | APPI | ESI | FT-ICR MS | Heavy oil

4008-161-200 800-990-8900

国家科技图书文献中心

摘要：© 2024 Elsevier LtdThis study aimed to compare | the structural and biological activities of neutral | ginseng residue oligosaccharides (GRO-N) and neutral | ginseng polysaccharides (GP-N). Their structures of GRO | -N and GP-N were established based on their

关键词： Immune activity | Neutral ginseng polysaccharides | Neutral ginseng residue oligosaccharides | Panax ginseng | Structure elucidation

摘要：Synthetic cathinones belong to one of the | biggest and most popular classes of New Psychoactive | Substances. Each year, new derivatives appear on the drug | market, traded under various labels like "bath salts | " or "legal highs". In recent years, the emergence of

关键词： Legal highs | Synthetic cathinones | Enantioseparation | 1-(1 | 3-benzodioxol-5-yl)-2-(cyclohexylamino) | propan-1-one

摘要： monoclinic space group P21/n, with its structure stabilized | The potential anticancer drug for leukemia | , butane‐1,4‐diyl bis(2,2,2‐trifluoroethane‐1‐sulfonate | ) (BFS), C8H12F6O6S2, a fluorine analogue of busulfan | , was synthesized and analyzed for the first time

关键词： crystal structure | potential anticancer drug | BFS | DFT calculations | conformational search | spectroscopic characterization | thermochemistry analysis | gravimetric method | solubility in water | busulfan analogue

摘要：Alpinia zerumbet (Pers.) B.L.Burtt & R.M.Sm | , known as shell ginger, is an aromatic plant widely | distributed in tropical and subtropical regions. In Guizhou | Province of China, its mature fruits have been used by | the Miao people for the treatment of cardiovascular

关键词： 1H NMR | 13C NMR | Alpinia zerumbet | α‐pyrone | cyclobutane | DFT | NMR chemical shift calculations | H-1 NMR | C-13 NMR | alpha-pyrone

摘要：. Structure elucidation reveals a variety of products with | were employed for structural elucidation. Zeneth and | RationaleThe present study aims to establish | structures of the degradation products of an anti-diabetic | drug, Imeglimin (IMG) approved for the treatment of

关键词： forced degradation | Imeglimin | LC-Q-ToF-MS/MS | metformin | toxicity | LC‐Q‐ToF‐MS/MS

摘要： technique and its structure was established as ethyl | Diethyl sulphate(DES)is one of the most | economical and commonly used reagents for N-ethylation in | bulk manufacturing of active pharmaceutical | ingredients(API)and specialty chemicals. In synthesis of an

关键词： Bulk purity | Diethyl sulphate | Dimethyl sulphate | Ethyl methyl sulphate | Gas chromatography-mass spectrometry | Process impurity

摘要：In this study, four depsides were isolated | from Origanum dictamnus L. and Satureja pilosa Velen | . medicinal plants and their structures were assessed by | means of one-dimensional (1D)- and two-dimensional (2D | )-nuclear magnetic resonance, high resolution mass

关键词： carbonic anhydrases | depsides | dittanic acid | Origanum dictamnus | Satureja pilosa

摘要： acid. The structure elucidation of substituted | Deoxyribonucleic acid (DNA) acts as the most | important intracellular target for various drugs | . Exploring the DNA binding interactions of small bioactive | molecules offers a structural guideline for designing new

关键词： Pyrazoline derivatives | X-ray diffraction | drug-DNA interaction | DFT | molecular docking

摘要：IntroductionThis study explores the cytotoxic | activity-guided isolation of the underground parts of | Laserpitium hispidum M. Bieb and Laserpitium petrophilum | Boiss. & Heldr., which have not been previously | investigated.ObjectivesThe aim is to isolate and evaluate bioactive

关键词： activity-guided isolation | Caenorhabditis elegans | cytotoxicity | Laserpitium | molecular docking | molecular dynamics | activity‐guided isolation

摘要：%. Asphaltene average molecular structure was predicted as C_ | Asphaltenes are the most complex and the least | understood portions of heavy oils. In the current study, a | powerful tool Fourier transform-ion cyclotron resonance | mass spectrometry (FT-ICR MS) coupled with positive

关键词： Asphaltenes | APPI | ESI | FT-ICR MS | Heavy oil

4008-161-200 800-990-8900

国家科技图书文献中心

摘要： monoclinic space group P21/n, with its structure* stabilized* | The potential anticancer drug for leukemia | , butane‐1,4‐diyl bis(2,2,2‐trifluoroethane‐1‐sulfonate | ) (BFS), C8H12F6O6S2, a fluorine analogue of busulfan | , was synthesized and analyzed for the first time

摘要：. Structure* elucidation reveals a variety of products with* | were employed for structural elucidation. Zeneth and | RationaleThe present study aims to establish | structures of the degradation products of an anti-diabetic | drug, Imeglimin (IMG) approved for the treatment of

摘要： technique and its structure* was established as ethyl* | Diethyl sulphate(DES)is one of the most | economical and commonly used reagents for N-ethylation in | bulk manufacturing of active pharmaceutical | ingredients(API)and specialty chemicals. In synthesis of an

摘要： acid. The structure* elucidation of substituted* | Deoxyribonucleic acid (DNA) acts as the most | important intracellular target for various drugs | . Exploring the DNA binding interactions of small bioactive | molecules offers a structural guideline for designing new

摘要：%. Asphaltene average molecular structure* was predicted as C_* | Asphaltenes are the most complex and the least | understood portions of heavy oils. In the current study, a | powerful tool Fourier transform-ion cyclotron resonance | mass spectrometry (FT-ICR MS) coupled with positive