1,566 results match your criteria nmr spectrometric


HPLC-ESI/MS Profiling, Phytoconstituents isolation and Evaluation of Renal Function, Oxidative Stress and Inflammation in Gentamicin-Induced Nephrotoxicity in Rats of Ficus spragueana Mildbr. & Burret.

Biomed Chromatogr 2021 Apr 5:e5135. Epub 2021 Apr 5.

Medicinal and Pharmaceutical Chemistry Department (Pharmacology Group), Pharmaceutical and Drug Industries Research Division, National Research Centre (ID: 60014618), Dokki, Giza, Egypt.

Ficus spragueana Mildbr. & Burret, (family Moraceae), was reported to have various biological activities. However, its activity in treatment of renal injury was not investigated yet. Read More

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Holospiniferoside: A New Antitumor Cerebroside from The Red Sea Cucumber In Vitro and In Silico Studies.

Molecules 2021 Mar 12;26(6). Epub 2021 Mar 12.

Department of Pharmacognosy, Faculty of Pharmacy, Suez Canal University, Ismailia 41522, Egypt.

Chemical investigation of the methanolic extract of the Red Sea cucumber led to the isolation of a new cerebroside, holospiniferoside (), together with thymidine (), methyl--d-glucopyranoside (), a new triacylglycerol (), and cholesterol (). Their chemical structures were established by NMR and mass spectrometric analysis, including gas chromatography-mass spectrometry (GC-MS) and high-resolution mass spectrometry (HRMS). All the isolated compounds are reported in this species for the first time. Read More

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Synthesis and Identification of Epoxy Derivatives of 5-Methylhexahydroisoindole-1,3-dione and Biological Evaluation.

Molecules 2021 Mar 30;26(7). Epub 2021 Mar 30.

Department of Chemistry, Universidade Federal de Viçosa, Viçosa, MG 36570-900, Brazil.

Cyclic imides belong to a well-known class of organic compounds with various biological activities, promoting a great interest in compounds with this functional group. Due to the structural complexity of some molecules and their spectra, it is necessary to use several spectrometric methods associated with auxiliary tools, such as the theoretical calculation for the structural elucidation of complex structures. In this work, the synthesis of epoxy derivatives of 5-methylhexahydroisoindole-1,3-diones was carried out in five steps. Read More

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Cold Atmospheric Plasma Modification of Amyloid β.

Int J Mol Sci 2021 Mar 18;22(6). Epub 2021 Mar 18.

Exploratory Research Center on Life and Living Systems (ExCELLS), National Institutes of Natural Sciences, Okazaki, Aichi 444-8787, Japan.

Cold atmospheric plasma (CAP) has attracted much attention in the fields of biotechnology and medicine owing to its potential utility in clinical applications. Recently accumulating evidence has demonstrated that CAP influences protein structures. However, there remain open questions regarding the molecular mechanisms behind the CAP-induced structural perturbations of biomacromolecules. Read More

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New Andrastin-Type Meroterpenoids from the Marine-Derived Fungus sp.

Mar Drugs 2021 Mar 27;19(4). Epub 2021 Mar 27.

State Key Laboratory of Mycology, Institute of Microbiology, Chinese Academy of Sciences, Beijing 100101, China.

Three new andrastin-type meroterpenoids penimeroterpenoids A-C (-) together with two known analogs ( and ) were isolated from the cultures of the marine-derived species (sp.). The structures of the new compounds were elucidated on the basis of 1- and 2-dimensional (1D/2D) Nuclear Magnetic Resonance (NMR) spectroscopic and mass spectrometric analysis. Read More

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Phenolic glycosides from the stems of Homalium stenophyllum.

Chin J Nat Med 2021 Mar;19(3):225-230

Key Laboratory of Tropical Medicinal Resource Chemistry of Ministry of Education, Hainan Normal University, Haikou 571158, China; Key Laboratory of Tropical Medicinal Plant Chemistry of Hainan Province, Hainan Normal University, Haikou 571158, China. Electronic address:

The phytochemical investigation of the stems of Homalium stenophyllum afforded seven new phenolic glycosides (1-5 and 8-9) and two known compounds (6 and 7). Their structures were elucidated by comprehensive analyses of NMR spectroscopic, mass spectrometric data and chemical hydrolysis. Additionally, their anti-inflammatory activities against the NO production in LPS-induced macrophages were evaluated. Read More

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Indole alkaloids from the leaves of Ravenia spectabilis engl. with activity against pancreatic cancer cell line.

Phytochemistry 2021 Mar 26;186:112744. Epub 2021 Mar 26.

Department of Pharmaceutical Chemistry, University of Dhaka, Dhaka, 1000, Bangladesh.

Two previously undescribed indole alkaloids, 3-prenyl-5(3-keto-but-1-enyl) indole and 3-prenyl-indole-5-carbaldehyde, the structurally-related 3,5-diprenyl indole and four known alkaloids were isolated from the leaves of Ravenia spectabilis Engl. Structures were elucidated based on nuclear magnetic resonance (1D and 2D NMR) spectroscopic and mass spectrometric analysis. The previously undescribed compounds isolated were subsequently screened against the HeLa (human cervical cancer), MIA PaCa-2 (human pancreatic adenocarcinoma) and A549 (lung cancer) cell lines. Read More

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Simplification of the purification of heat stable recombinant low molecular weight proteins and peptides from GST-fusion products.

J Chromatogr B Analyt Technol Biomed Life Sci 2021 Mar 6;1172:122627. Epub 2021 Mar 6.

Department of Chemistry and Biochemistry, University of Arkansas, Fayetteville, AR 72701, USA. Electronic address:

The synthesis and purification of peptides of importance in the fields of research and medicine continue to be a challenging task. Chemical synthesis of oligopeptides, especially those greater than 25 amino acids, is cost prohibitive. On the other hand, several bottlenecks exist in the production of recombinant short peptides in heterologous expression hosts such as Escherichia coli (E. Read More

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Structurally diverse alkaloids produced by Aspergillus creber EN-602, an endophytic fungus obtained from the marine red alga Rhodomela confervoides.

Bioorg Chem 2021 Mar 12;110:104822. Epub 2021 Mar 12.

CAS and Shandong Province Laboratory of Experimental Marine Biology, Institute of Oceanology, Chinese Academy of Sciences, Nanhai Road 7, Qingdao 266071, People's Republic of China; Laboratory of Marine Biology and Biotechnology, Qingdao National Laboratory for Marine Science and Technology, Wenhai Road 1, Qingdao 266237, People's Republic of China; Center for Ocean Mega-Science, Chinese Academy of Sciences, Nanhai Road 7, Qingdao 266071, People's Republic of China. Electronic address:

Thirteen alkaloids, which include three new diketopiperazines, namely, 3-hydroxyprotuboxepin K (4), 3,15-dehydroprotuboxepin K (5), and versiamide A (6), together with ten known alkaloid derivatives (1-3 and 7-13), were isolated from the marine red algal-derived fungus Aspergillus creber EN-602. Versiamide A (6) represents the first example of a naturally occurring quinazolinone alkaloid with a diketopiperazine ring that is derived from phenylalanine (Phe) and leucine (Leu). The structures of these compounds were elucidated by detailed interpretation of their 1D/2D NMR spectroscopic and mass spectrometric data, while the absolute configurations of compounds 1-6 were established on the basis of X-ray crystallographic analysis and time-dependent density functional (TDDFT) calculations of the ECD spectra. Read More

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Current analytical methods for determination of glucosinolates in vegetables and human tissues.

J Chromatogr A 2021 Mar 12;1643:462060. Epub 2021 Mar 12.

Visiting Fellow, York, UK. Electronic address:

Numerous epidemiological studies have indicated the potential effects of glucosinolates and their metabolites against cancer as well as other non-communicable diseases, such as cardiovascular disease and neurodegenerative disorders. However, information on the presence and quantity of glucosinolates in commonly consumed vegetables and in human fluids is sparse, largely because well-standardised methods for glucosinolate determination are not available, resulting in published data being inconsistent and conflicting. Thus, studies published since 2002 on the most recent developments of glucosinolate extraction and identification have been collected and reviewed with emphasis on determination of the intact glucosinolates by LC-MS and LC-MS/MS. Read More

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Development of an NMR-Based Platform for the Direct Structural Annotation of Complex Natural Products Mixtures.

J Nat Prod 2021 Mar 22. Epub 2021 Mar 22.

Department of Chemistry, Simon Fraser University, 8888 University Drive, Burnaby, British Columbia V5A 1S6, Canada.

The development of new "omics" platforms is having a significant impact on the landscape of natural products discovery. However, despite the advantages that such platforms bring to the field, there remains no straightforward method for characterizing the chemical landscape of natural products libraries using two-dimensional nuclear magnetic resonance (2D-NMR) experiments. NMR analysis provides a powerful complement to mass spectrometric approaches, given the universal coverage of NMR experiments. Read More

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New chlorogenic acid derivatives and triterpenoids from Scorzonera aucheriana.

Turk J Chem 2021 17;45(1):199-209. Epub 2021 Feb 17.

Department of Pharmacognosy, Faculty of Pharmacy, Karadeniz Technical University, Trabzon Turkey.

Chromatographic separation of-hexane and ethyl acetate fraction of a crude methanol extract obtained from aerial parts of theDC collected from Sivas province of Turkey yielded nine natural compounds; two new 3-caffeoyl-quinic acid analogs (-), one new taraxasterol oleate (), and six known triterpenoids taraxasterol (), taraxasterol acetate (), ptiloepoxide (), lupeol (), lupeol acetate (), and-sitosterol () were characterized. The structures of the isolated compounds were elucidated on the basis of NMR (H,C, COSY, HMBC, HSQC, and TOCSY), UV, FT-IR and LC-Q-TOF-MS spectrometric data. Read More

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February 2021

Two new cassane-type diterpenoids from the seed kernels of (Linn.) Roxb. and their anti-inflammatory activity.

Nat Prod Res 2021 Mar 4:1-8. Epub 2021 Mar 4.

School of Traditional Chinese Materia Medica, Shenyang Pharmaceutical University, Shenyang, People's Republic of China.

In this study, phytochemical investigation on the chloroform soluble fraction of seed kernels of led to the isolation of two new cassane-type diterpenoids, norcaesalpinin Q () and caesalpinin MR (), together with seven known compounds (-). The structures of the new compounds were elucidated on the basis of extensive NMR spectroscopic and mass spectrometric analyses, and their absolute configurations were determined by electronic circular dichroism (ECD) calculations. All compounds were evaluated for inhibitory effects against NO production of RAW264. Read More

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Chemo-profiling of bioactive metabolites from Chaetomium globosum for biocontrol of Sclerotinia rot and plant growth promotion.

Fungal Biol 2021 Mar 8;125(3):167-176. Epub 2020 Aug 8.

Division of Design of Experiment, ICAR-Indian Agricultural Statistics Research Institute, New Delhi, India.

Chaetomium globosum Kunze ex. Fries has been known to produce diverse bioactive metabolites, attracting researchers to exploit the biocontrol agent for plant disease management. However, distinct research gaps are visible regarding detail characterization of bioactive metabolites. Read More

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Structural characterization of fondaparinux interaction with per-6-amino-beta-cyclodextrin: An NMR and MS study.

J Pharm Biomed Anal 2021 Apr 3;197:113947. Epub 2021 Feb 3.

Semmelweis University, Department of Pharmacognosy, Üllői út. 26, H-1085, Budapest, Hungary. Electronic address:

The highly anionic synthetic pentasaccharide fondaparinux (FDPX) - representing the antithrombin binding sequence of heparin - is in clinical use as a potent anticoagulant. Contrary to the unfractionated heparin, FDPX lacks potent antidote completely reversing its anticoagulant activity, therefore it is of great importance to identify new structures exhibiting strong intermolecular interactions towards FDPX. The polycationic heptakis(6-amino-6-deoxy)-beta-cyclodextrin (NH-β-CD) can serve as an excellent model compound to mimic these interactions between the oppositely charged oligosaccharides. Read More

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Antibacterial and cytotoxic biflavonoids from the root bark of Ochna kirkii.

Fitoterapia 2021 Feb 11;151:104857. Epub 2021 Feb 11.

Department of Chemistry - BMC, Uppsala University, SE-751 23 Uppsala, Sweden. Electronic address:

The new isoflavonoid kirkinone A (1) and biflavonoid kirkinone B (2) along with six known compounds (3-8) were isolated from the methanolic extract of the root bark of Ochna kirkii. The compounds were identified by NMR spectroscopic and mass spectrometric analyses. Out of the eight isolated natural products, calodenin B (4) and lophirone A (6) showed significant antibacterial activity against the Gram-positive bacterium Bacillus subtilis with MIC values of 2. Read More

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February 2021

Cytotoxic constituent of (DC.) T. G. Hartley.

Nat Prod Res 2021 Feb 12:1-9. Epub 2021 Feb 12.

Department of Nutrition and Dietetics, Faculty of Medicine and Health Sciences, Universiti Putra Malaysia, Serdang, Selangor, Malaysia.

An undescribed conjugated sesquiterpene, amelicarin (), together with nine known compounds (-) were isolated for the first time from . Their structures were elucidated by extensive NMR spectroscopic and mass spectrometric methods. The conjugated sesquiterpene possesses a unique 6/6/9/4-ring fused tetracyclic skeleton. Read More

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February 2021

Selina-1,3,7(11)-trien-8-one and Oxidoselina-1,3,7(11)-trien-8-one from Leaf Essential Oil and Their Cytotoxic Effects on Human Cell Lines.

Molecules 2021 Jan 31;26(3). Epub 2021 Jan 31.

Department of Chemical Engineering, Regional University of Blumenau Foundation, 89030-000 Blumenau, SC, Brazil.

The sesquiterpenes selina-1,3,7(11)-trien-8-one and oxidoselina-1,3,7(11)-trien-8-one were isolated from the essential oil of L. leaves. The structures were elucidated using spectrometric methods (UV, GC-MS, NMR, and specific optical rotation). Read More

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January 2021

Experimental and molecular docking investigation of the inclusion complexes between 20(S)-protopanaxatriol and four modified β-cyclodextrins.

Carbohydr Res 2021 Feb 4;500:108256. Epub 2021 Feb 4.

College of Chemistry and Chemical Engineering, Yunnan Normal University, Kunming, 650500, PR China. Electronic address:

20(S)-Protopanaxatriol (PPT) is a type of ginsenoside isolated from panax notoginseng or ginseng, which is an essential ingredient in functional food, healthcare products and traditional medicine. However, the research and development of PPT are restricted due to its poor solubility. To circumvent the associated problems, a novel bridged-bis [6-(2,2'-(ethylenedioxy) bis (ethylamine))-6-deoxy-β-CD] (H4) was successfully synthesized. Read More

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February 2021

Phenols from L. and L. and their activity against carbonic anhydrase.

Nat Prod Res 2021 Feb 3:1-7. Epub 2021 Feb 3.

Laboratory of Pharmacognosy, School of Pharmacy, Aristotle University of Thessaloniki, Thessaloniki, Greece.

spp. are lipophilic fungi that are part of the normal flora of the human skin and are the etiological agents of dandruff and seborrheic dermatitis. β-Carbonic Anhydrases (CAs; EC 4. Read More

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February 2021

Bioactivity of fractions and constituents of Piper capense fruits towards a broad panel of cancer cells.

J Ethnopharmacol 2021 May 30;271:113884. Epub 2021 Jan 30.

Department of Pharmaceutical Biology, Institute of Pharmaceutical and Biomedical Sciences, Johannes Gutenberg University, Staudinger Weg 5, 55128, Mainz, Germany. Electronic address:

Ethnopharmacological Relevance: Piper capense is a medicinal spice whose fruits are traditionally used as aqueous decoction to heal several ailments such as trypanosomiasis, helminthic infections, and cancer.

Aim Of The Study: (1) To perform phytochemical investigation of the methanol extract of Piper capense; (2) to evaluate the cytotoxicity of botanicals (PCF, fractions PCFa-e), isolated phytochemicals on a broad panel of animal and human cancer cell lines; (3) to evaluate the induction of apoptosis of the most active samples.

Material And Methods: Resazurin reduction assay (RRA) was used to determine the cytotoxicity of the studied samples. Read More

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Biflavanones, Chalconoids, and Flavonoid Analogues from the Stem Bark of .

J Nat Prod 2021 02 29;84(2):364-372. Epub 2021 Jan 29.

Department of Chemistry - BMC, Uppsala University, SE-751 23 Uppsala, Sweden.

Two new biflavanones ( and ), three new bichalconoids (-), and 11 known flavonoid analogues (-) were isolated from the stem bark extract (CHOH-CHCl, 7:3, v/v) of . The structures of the isolated metabolites were elucidated by NMR spectroscopic and mass spectrometric analyses. The crude extract and the isolated metabolites were evaluated for antibacterial activity against (Gram-positive) and (Gram-negative) as well as for cytotoxicity against the MCF-7 human breast cancer cell line. Read More

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February 2021

Phaseocyclopentenones A and B, Phytotoxic Penta- and Tetrasubstituted Cyclopentenones Produced by , the Causal Agent of Charcoal Rot of Soybean in Argentina.

J Nat Prod 2021 02 25;84(2):459-465. Epub 2021 Jan 25.

Dipartimento di Scienze Chimiche, Università di Napoli Federico II, Complesso Universitario Monte S. Angelo, Via Cintia 4, 80126 Napoli, Italy.

Two new penta- and tetrasubstituted cyclopentenones, named phaseocyclopentenones A and B ( and ), together with guignardone A (), were isolated from cultures. The phytopathogenic fungus was isolated from infected soybean tissues showing charcoal rot symptoms in Argentina. Charcoal rot is a devastating disease considering that soybean is one of the main legumes cultivated in the world. Read More

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February 2021

Exosomes Derived from Human Urine-Derived Stem Cells Inhibit Intervertebral Disc Degeneration by Ameliorating Endoplasmic Reticulum Stress.

Oxid Med Cell Longev 2020 7;2020:6697577. Epub 2020 Dec 7.

Department of Orthopedics, The Affiliated Hospital of Qingdao University, Qingdao, China 266003.

Objective: This study is aimed at determining the effects of human urine-derived stem cell-derived exosomes (USCs-exos) on pressure-induced nucleus pulposus cell (NPC) apoptosis and intervertebral disc degeneration (IDD) and on the ERK and AKT signaling pathways.

Methods: The NPCs were obtained from patients with herniated lumbar discs. Western blot analysis (WB) and quantitative real-time polymerase chain reaction (qRT-PCR) were used to determine endoplasmic reticulum (ER) stress levels of NPCs under stress. Read More

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December 2020

Advances in the discovery and development of anthelmintics by harnessing natural product scaffolds.

Adv Parasitol 2021 8;111:203-251. Epub 2021 Jan 8.

Faculty of Veterinary and Agricultural Sciences, The University of Melbourne, Parkville, Victoria, Australia. Electronic address:

Widespread resistance to currently-used anthelmintics represents a major obstacle to controlling parasitic nematodes of livestock animals. Given the reliance on anthelmintics in many control regimens, there is a need for the continued discovery and development of new nematocides. Enabling such a focus are: (i) the major chemical diversity of natural products; (ii) the availability of curated, drug-like extract-, fraction- and/or compound-libraries from natural sources; (iii) the utility and practicality of well-established whole-worm bioassays for Haemonchus contortus-an important parasitic nematodes of livestock-to screen natural product libraries; and (iv) the availability of advanced chromatographic (HPLC), spectroscopic (NMR) and spectrometric (MS) techniques for bioassay-guided fractionation and structural elucidation. Read More

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January 2021

Bougainvinones NP, three new flavonoids from Bougainvillea spectabilis.

Fitoterapia 2021 Mar 16;149:104832. Epub 2021 Jan 16.

Sai Gon University, Ho Chi Minh City 748355, Viet Nam. Electronic address:

In an effort to identify natural bioactive compounds, three new flavonoids (1-3) and six known compounds (4-9) were isolated from the stem bark of Bougainvillea spectabilis. The structures of these compounds were accomplished using comprehensive spectroscopic methods, including 1D and 2D NMR spectra with references to the literatures, as well as high-resolution mass spectrometric analysis. Their cytotoxicity against KB and HeLa S-3 cell lines was also evaluated. Read More

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Arenarosides A-G, Polyhydroxylated Oleanane-Type Saponins from and their Cytotoxic and Antiangiogenic Activities.

J Nat Prod 2021 02 17;84(2):259-267. Epub 2021 Jan 17.

Ph.D. program in Clinical Drug Development of Herbal Medicine, College of Pharmacy, Taipei Medical University, Taipei 11031, Taiwan.

Seven new polyhydroxylated oleanane-type triterpene saponins, arenarosides A-G (-), together with four known compounds, were isolated from an ethanol extract of the aerial parts of the Vietnamese plant . The chemical structures of the newly isolated oleanane saponins were elucidated on the basis of spectroscopic and spectrometric analysis, especially 2D NMR and HRMS. Biological evaluation revealed that , , , and showed moderate activities against four human cancer cell lines (A549, HTC116, PC3, and RT112) with IC values of 6. Read More

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February 2021

Unusual derivatives from Hypericum scabrum.

Sci Rep 2021 Jan 14;10(1):22181. Epub 2021 Jan 14.

Department of Phytochemistry, Medicinal Plants and Drugs Research Institute, Shahid Beheshti University, Evin, Tehran, Iran.

Three new compounds (1-3) with unusual skeletons were isolated from the n-hexane extract of the air-dried aerial parts of Hypericum scabrum. Compound 1 represents the first example of an esterified polycyclic polyprenylated acylphloroglucinol that features a unique tricyclo-[4.3. Read More

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January 2021

NMR in the Service of Wine Differentiation.

Foods 2021 Jan 8;10(1). Epub 2021 Jan 8.

Department of Viticulture and Enology, Faculty of Agriculture, University of Zagreb, Svetosimunska 25, 10 000 Zagreb, Croatia.

NMR is a swift and highly reproducible spectrometric technique that makes it possible to obtain spectra containing a lot of information about the sample analyzed. This approach helps major components be described in complex mixtures such as wine in just one analysis. Analysis of wine metabolites is very often used to understand the impact of geographical origin or variety on wine quality. Read More

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January 2021