一文了解计算机辅助结构解析（CASE 算法）的应用文献

时间：2021

题目：Rapid and unambiguous assignment of proton-deficient N-acyl amidine indole alkaloid by a combination of calculation methods

期刊：Tetrahedron Letters

DOI: 10.1016/j.tetlet.2021.152949

时间：2021

题目：Natural potential neuroinflammatory inhibitors from Stephania epigaea H. S. Lo

期刊：Bioorganic Chemistry

DOI: 10.1016/j.bioorg.2020.104597

时间：2020

题目：Two new seco-polycyclic polyprenylated acylphloroglucinol from Hypericum sampsonii

期刊：Organic & Biomolecular Chemistry

DOI: 10.1039/d0ob02072a

时间：2020

题目：Terpenylated coumarins from the root bark of Ailanthus altissima (Mill.)Swingle

期刊：Phytochemistry

DOI: 10.1016/j.phytochem.2020.112361

时间：2020

题目：The identification of alkaloids from the stems of Picrasma quassioides via computer-assisted structure elucidation and quantum chemical calculations

期刊：Journal of Asian Natural Products Research

DOI: 10.1080/10286020.2020.1729135

时间：2020

题目：Structure reassignment of two triterpenes with CASE algorithms and DFT chemical shift predictions (Mill.)Swingle

期刊：Natural Product Research

DOI: 10.1080/14786419.2020.1777122

时间：2020

题目：Reassignments of the structure DOBFs directed by CASE algorithms and GIAO 13C NMR computations

期刊：Journal of Molecular Structure

DOI: 10.1016/j.molstruc.2020.128602

时间：2020

题目：Precursor-Directed Biosynthesis and Fluorescence Labeling of Clickable Microcystins

期刊：Journal of Natural Products

DOI: 10.1021/acs.jnatprod.0c00251

时间：2020

题目：Phenolics from Archidendron clypearia (Jack) I.C.Nielsen protect SH-SY5Y cells against H2O2-induced oxidative stress

期刊：Phytochemistry

DOI: 10.1016/j.phytochem.2020.112414

时间：2020

题目：Nostotrebin 6 Related Cyclopentenediones and δ‑Lactones with Broad Activity Spectrum Isolated from the Cultivation Medium of the Cyanobacterium Nostoc sp. CBT1153 (Mill.)Swingle

期刊：Journal of Natural Products

DOI: 10.1021/acs.jnatprod.9b00885

时间：2020

题目：Hyperfols A and B: Two Highly Modified Polycyclic Polyprenylated Acylphloroglucinols from Hypericum perforatum

期刊：Organic Letters

DOI: DOI:10.1021/acs.orglett.0c02444

时间：2020

题目：Baicalensines A and B, Two Isoquinoline Alkaloids from the Roots of Thalictrum baicalense

期刊：Organic Letters

DOI: 10.1021/acs.orglett.0c02444

时间：2019

题目：LC-HRMS-Database Screening Metrics for Rapid Prioritization of Samples to Accelerate the Discovery of Structurally New Natural Products

期刊：Journal of Natural Products

DOI: 10.1021/acs.jnatprod.8b00575

时间：2018

题目：Quaternized PEI-PNIPAAm-based antimicrobial reverse thermal gel: a potential for surgical incision drapes

期刊：Appiled Materials & Interfacess

DOI: 10.1021/acsami.8b04020

时间：2017

题目：Targeted Dereplication of Microbial Natural Products by High­Resolution MS and Predicted LC Retention Time

期刊：Journal of Natural Products

DOI: 10.1021/acs.jnatprod.6b01035

时间：2017

题目：Application of a Computer-Assisted Structure Elucidation Program for the Structural Determination of a New Terpenoid Aldehyde with an Unusual Skeleton

期刊：Magnetic Resonance in Chemistry

DOI: 10.1002/mrc.4466.

时间：2017

题目：Towards unbiased and more versatile NMR‐based structure elucidation: A powerful combination of CASE algorithms and DFT calculations

期刊：Magnetic Resonance in Chemistry

DOI:  10.1002/mrc.4645

时间：2016

题目：Synergistic Combination of CASE Algorithms and DFT Chemical Shift Predictions: A Powerful Approach for Structure Elucidation,Verification, and Revision

期刊：Journal of Natural Products

DOI: 10.1021/acs.jnatprod.6b00799

时间：2016

题目：Homodimericin A: A Complex Hexacyclic Fungal Metabolite

期刊：Journal of the American Chemical Society

DOI: 10.1021/jacs.6b07588

时间：2016

题目：Characterization and Synthesis of Eudistidine C, a Bioactive Marine Alkaloid with an Intriguing Molecular Scaffold

期刊：The Journal of Organic Chemistry

DOI: 10.1021/acs.joc.6b02380

时间：2015

题目：Computer-Assisted Structure Elucidation of Black Chokeberry(Aronia melanocarpa) Fruit Juice Isolates with a New Fused Pentacyclic Flavonoid Skeleton

期刊：Organic Letters

DOI: 10.1021/acs.orglett.5b01284

时间：2015

题目：Activity-Independent Discovery of Secondary Metabolites Using Chemical Elicitation and Cheminformatic Inference

期刊：ACS Chemical Biology

DOI: 10.1021/acschembio.5b00612

时间：2015

题目：Turning Spiroketals Inside Out: A Rearrangement Triggered by an Enol Ether Epoxidation

期刊：ChemistryOpen

DOI: 10.1002/open.201500122

时间：2014

题目：The impact of LR-HSQMBC very long-range heteronuclear correlation data on computer assisted structure elucidation

期刊：Organic & Biomolecular Chemistry

DOI: 10.1039/c4ob01418a

时间：2013

题目：Structure Revision of Asperjinone Using Computer-Assisted Structure Elucidation Methods

期刊：Journal of Natural Products

DOI: 10.1021/np300218g

时间：2012

题目：Blind trials of computer-assisted structure elucidation software

期刊：Journal of Cheminformatics

DOI: 10.1186/1758-2946-4-5

时间：2012

题目：A Combined Atomic Force Microscopy and Computational Approach for the Structural Elucidation of Breitfussin A and B: Highly Modified Halogenated Dipeptides from Thuiaria breitfussi

期刊：Angewandte Chemie

DOI: 10.1002/anie.201203960

时间：2012

题目：Structural Characterization of a Phenoxazine Analog Formed as a By‐product of the Synthesis of a 3‐Amino‐N,N‐dimethylsalicylamide

期刊：Journal of Heterocyclic Chemistry

DOI: 10.1002/jhet.981

时间：2010

题目：Structural revisions of natural products by Computer-Assisted Structure Elucidation (CASE) systems

期刊：Natural Product Reports

DOI: 10.1039/c002332a

时间：2010

题目：Antibiotic Indole Sesquiterpene Alkaloid from Greenwayodendron suaWeolens with a New Natural Product Framework

期刊：Journal of Natural Products

DOI: 10.1021/np1001225

时间：2010

题目：Antibiofilm Phenylethanoid Glycosides from Penstemon centranthifolius

期刊：PHYTOTHERAPY RESEARCH

DOI: 10.1002/ptr.2992

时间：2009

题目：Secoiridoid Glycosides from the Pitcher Plant Sarracenia alata

期刊：Helvetica Chimica Acta

DOI: 10.1002/hlca.200800248

时间：2006

题目：Berkelic Acid, A Novel Spiroketal with Selective Anticancer Activity from an Acid Mine Waste Fungal Extremophile

期刊：The Journal of Organic Chemistry

DOI: 10.1021/jo060018d

时间：2004

题目：Automated structure elucidation of two unexpected products in a reaction of an a,b-unsaturated pyruvate

期刊：Magnetic Resonance in Chemistry

DOI: 10.1002/mrc.1396

时间：2002

题目：Identification of Degradants of a Complex Alkaloid Using NMR Cryoprobe Technology and ACD/Structure Elucidator

期刊：Journal of Heterocyclic Chemistry

DOI: 10.1002/jhet.5570390619

时间：2020

题目：CASE (Computer-Assisted Structure Elucidation) Study for an Undergraduate Organic Chemistry Class

期刊：Journal of Chemical Education

DOI: 10.1021/acs.jchemed.9b00498

时间：2019

题目：ACDLabs/SES软件在天然药物化学研究生教学中的应用

期刊：科技经济导刊 2019，27(05)

时间：2015

书名：Computer–Based Structure Elucidation from Spectral Data

DOI：10.1007/978-3-662-46402-1