24,225 results match your criteria nmr spectrum

Tuning the Computational Evaluation of Spectroscopic, ELF, LOL, NCI analysis and Molecular Docking of Novel Anti COVID-19 Molecule 4-Dimethylamino Pyridinium 3, 5-Dichlorosalicylate.

Spectrochim Acta A Mol Biomol Spectrosc 2021 May 5;259:119907. Epub 2021 May 5.

Department of Physics and Research Centre, Malankara Catholic College, Mariagiri 629153, Tamilnadu, India; Affiliated to Manonmaniam Sundaranar University, Abishekapatti-627012, Tirunelveli, Tamilnadu, India. Electronic address:

In this work novel antiviral compound 4-(Dimethylamino) Pyridinium 3, 5-dichlorosalicylate was synthesized and characterized by UV-vis, FT-IR, FT-Raman, H NMR and C NMR spectra. Quantum chemical computations were carried out by Density functional theory methods at B3LYP level. Electronic stability of the compound arising from hyper conjugative interactions and charge delocalization is investigated using natural bond orbital analysis. Read More

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Existence of β-diketone form of curcuminoids revealed by NMR spectroscopy.

Food Chem 2021 May 3;360:130000. Epub 2021 May 3.

Department of Spice and Flavour Science, CSIR-Central Food Technological Research Institute, Mysore, Karnataka 570020, India; Academy of Scientific and Innovative Research (AcSIR), Ghaziabad 201002, India. Electronic address:

Curcumin (CUR), demethoxycurcumin (DMC) and bisdemethoxycurcumin (BDMC) - the class of natural compound derived from turmeric can exist as keto-enol and β-diketone tautomer form. The structure and dynamics of particular relevance CUR is reported in prior studies, whereas DMC and BDMC, by far, have not been scrutinized. In the present studies, we have investigated the detailed molecular structure of CUR, DMC and BDMC by employing NMR spectroscopy as a key tool. Read More

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COVID and Cardiovascular Disease: What We Know in 2021.

Curr Atheroscler Rep 2021 May 13;23(7):37. Epub 2021 May 13.

Department of Medicine, Johns Hopkins University School of Medicine, Baltimore, MD, USA.

Purpose Of Review: Coronavirus disease 2019 (COVID-19) has been the cause of significant global morbidity and mortality. Here, we review the literature to date of the short-term and long-term consequences of Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2) infection on the heart.

Recent Findings: Early case reports described a spectrum of cardiovascular manifestations of COVID-19, including myocarditis, stress cardiomyopathy, myocardial infarction, and arrhythmia. Read More

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The role of imaging in acute pancreatitis.

Radiol Med 2021 May 12. Epub 2021 May 12.

Dipartimento di diagnostica per immagini, Radioterapia, Oncologia ed Ematologia, Fondazione Universitaria "A. Gemelli", IRCCS - Università Cattolica del Sacro Cuore, Largo Agostino Gemelli, 8, 00168, Rome, Italy.

Acute pancreatitis is one of the most commonly encountered etiologies in the emergency setting, with a broad spectrum of findings that varies in severity from mild interstitial pancreas to severe forms with significant local and systemic complications that are associated with a substantial degree of morbidity and mortality. In this article the radiological aspect of the terminology and classification of acute pancreatitis are reviewed. The roles of ultrasound, computed tomography, and magnetic resonance imaging in the diagnosis and evaluation of acute pancreatitis and its complications are discussed. Read More

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Early neuroimaging and ultrastructural correlates of injury outcome after neonatal hypoxic-ischaemia.

Brain Commun 2021 26;3(2):fcab048. Epub 2021 Mar 26.

Department of Pediatrics, National Cheng Kung University Hospital, College of Medicine, National Cheng Kung University, Tainan 70428, Taiwan.

Hypoxic ischaemia encephalopathy is the major cause of brain injury in new-borns. However, to date, useful biomarkers which may be used to early predict neurodevelopmental impairment for proper commencement of hypothermia therapy is still lacking. This study aimed to determine whether the early neuroimaging characteristics and ultrastructural correlates were associated with different injury progressions and brain damage severity outcomes after neonatal hypoxic ischaemia. Read More

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A brief review of reporter gene imaging in oncolytic virotherapy and gene therapy.

Mol Ther Oncolytics 2021 Jun 10;21:98-109. Epub 2021 Mar 10.

Department of Molecular Medicine, Mayo Clinic, Rochester, MN 55905, USA.

Reporter gene imaging (RGI) can accelerate development timelines for gene and viral therapies by facilitating rapid and noninvasive studies to determine the biodistribution, magnitude, and durability of viral gene expression and/or virus infection. Functional molecular imaging systems used for this purpose can be divided broadly into deep-tissue and optical modalities. Deep-tissue modalities, which can be used in animals of any size as well as in human subjects, encompass single photon emission computed tomography (SPECT), positron emission tomography (PET), and functional/molecular magnetic resonance imaging (f/mMRI). Read More

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Prenatal Exposure And Child brain and mental Health (PEACH) study: protocol for a cohort study of children and youth with prenatal alcohol exposure.

BMJ Open 2021 May 11;11(5):e051660. Epub 2021 May 11.

Alberta Children's Hospital Research Institute, University of Calgary, Calgary, Alberta, Canada.

Introduction: Fetal alcohol spectrum disorder (FASD), which is caused by prenatal alcohol exposure (PAE), affects an estimated 4% of North Americans, and is the most common preventable cause of intellectual disability. Mental health problems, including anxiety and depression, are experienced by nearly all individuals with FASD. However, there is very limited knowledge about effective mental health treatments for individuals with FASD; effective treatments are hindered in part due to a lack of understanding of the basic neurobiology underlying internalising disorders in youth with FASD. Read More

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A Facile Synthesis of Nido-Carborane Polymers via Dynamic Self-Assembly by Poly(carboxybetaine methacrylate).

Zhou Wang

J Nanosci Nanotechnol 2021 Nov;21(11):5681-5687

College of Vanadium and Titanium, Panzhihua University, 617000, P. R. China.

Carborane are widely applied in boron neutron capture therapy (BNCT) field, but it is difficult to perform biocompatibility with cells due to its own water solubility differences, so how to solve the water solubility problem has always been the focus of research. A simple, inexpensive and effective method was used to study the synthesis of nido-carborane azaspirodecanium poly(carboxybetaine methacrylate) by one-pot cyclization of nido-carborane azaspirodecanium under the synergistic effect of inorganic bases and conventional organic solvents. Its characterization is mainly to use 1H-NMR nuclear magnetic resonance spectrum and infrared spectroscopy to determine the characteristic peak and range of borane. Read More

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November 2021

The Clinical Spectrum and Outcome of Uveomeningitis: A Comprehensive Analysis of 110 Cases.

Ocul Immunol Inflamm 2021 May 11:1-6. Epub 2021 May 11.

Department of Internal Medicine, National Referral Center for Rare Systemic Autoimmune Diseases, Hôpital Cochin, APHP-Centre Université de Paris (CUP), Paris, France.

Uveitis can be associated with meningitis (uveomeningitis) and the inflammation shared with the central nervous system. We aimed to describe the characteristics and outcome of uveomeningitis. We retrospectively analyzed 110 consecutive adult patients with uveomeningitis. Read More

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Nervione, a new benzofuran derivative from .

Nat Prod Res 2021 May 10:1-7. Epub 2021 May 10.

Department of Chemistry, Ho Chi Minh City University of Education, Ho Chi Minh City, Vietnam.

A new benzofuran derivative, nervione (), was isolated from (Blume) Schltr. (Orchidaceae). Eight previously reported compounds were also isolated: 5,7-dimethoxyflavone (2), 3,5,7-trimethoxyflavone (3), 7-methoxyflavone (4), 3,7-dimethoxy-5-hydroxyflavone (5), tetramethylscutellarein (4',5,6,7-tetramethoxyflavone) (6), 5,7-dimethoxy-4'-hydroxyflavone (7), rhamnetin (8), and 5,7-dihydroxy-3',4'-dimethoxyflavone (9). Read More

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Focal splenic lesions: Imaging spectrum of diseases on CT, MRI and PET/CT.

Diagn Interv Imaging 2021 May 5. Epub 2021 May 5.

Department of Radiology, Hôpital Cochin, AP-HP, 75014 Paris, France; Université de Paris, 75006 Paris, France.

The spleen can be affected by a variety of diseases. Some of them are readily identified as variations of normal or benign diseases on imaging. However, for a substantial number of focal splenic abnormalities, the diagnosis can be difficult so that histopathologic analysis may be required for a definite diagnosis. Read More

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Fetal MRI assessment of posterior fossa anomalies: A review.

J Neuroimaging 2021 May 8. Epub 2021 May 8.

Edward B. Singleton Department of Radiology, Texas Children's Hospital, Houston, Texas, USA.

Prenatal ultrasound (US) is the first prenatal imaging tool for screening and evaluation of posterior fossa malformations since it is noninvasive, widely available, and safe for both mother and child. Fetal MRI is a widely used secondary technique to confirm, correct, or complement questionable US findings and plays an essential role in evaluating fetuses with suspected US findings and /or positive family history. The main sequences of fetal MRI consist of T2-weighted (T2w) ultrafast, single-shot sequences. Read More

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Assessment of hepatic fatty acids during non-alcoholic steatohepatitis progression using magnetic resonance spectroscopy.

Ann Hepatol 2021 May 4:100358. Epub 2021 May 4.

Biomedical Imaging Center, Pontificia Universidad Católica de Chile, Santiago, Chile; ANID, Millennium Science Initiative Program, Millennium Nucleus for Cardiovascular Magnetic Resonance, Santiago, Chile; Radiology Department, School of Medicine, Pontificia Universidad Católica de Chile, Santiago, Chile.

Introduction And Objectives: Non-alcoholic fatty liver disease (NAFLD) encompasses a spectrum of liver abnormalities including steatosis, steatohepatitis, fibrosis, and cirrhosis. Liver biopsy remains the gold standard method to determine the disease stage in NAFLD but is an invasive and risky procedure. Studies have previously reported that changes in intrahepatic fatty acids (FA) composition are related to the progression of NAFLD, mainly in its early stages. Read More

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Very Late-onset Neuromyelitis Optica Spectrum Disorders.

Eur J Neurol 2021 May 7. Epub 2021 May 7.

Department of Neurology, Graduate School of Medical Sciences, Kumamoto University, 1-1-1 Honjo, Chuo-ku, Kumamoto, 860-8556, Japan.

Background: Neuromyelitis optica spectrum disorder (NMOSD) often presents in the elderly with an insidious onset of symptoms and aggressive progression. There have been anecdotal cases of very late-onset (VLO)-NMOSD, but case series reports are rare. The aim of this retrospective study was to clarify the clinical features of VLO-NMOSD. Read More

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Circumflex aorta: An uncharted territory.

Asian Cardiovasc Thorac Ann 2021 May 6:2184923211015092. Epub 2021 May 6.

Department of Cardiac Surgery, National Heart Institute, Kuala Lumpur, Malaysia.

Background: Vascular rings are aortic arch anomalies with a spectrum of manifestations ranging from asymptomatic lesions detected incidentally to an acute presentation secondary to tracheo-esophageal compression. Circumflex retro-esophageal aortic arch is an extreme form of true vascular ring. It remains an uncharted territory to many surgeons. Read More

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Effects of Low-Dose Gestational TCDD Exposure on Behavior and on Hippocampal Neuron Morphology and Gene Expression in Mice.

Environ Health Perspect 2021 May 6;129(5):57002. Epub 2021 May 6.

Centre for Craniofacial and Regenerative Biology, King's College London, London, UK.

Background: 2,3,7,8-tetrachlorodibenzo--dioxin (TCDD) is a persistent and toxic environmental pollutant. Gestational exposure to TCDD has been linked to cognitive and motor deficits, and increased incidence of autism spectrum disorder (ASD) traits in children. Most animal studies of these neurodevelopmental effects involve acute TCDD exposure, which does not model typical exposure in humans. Read More

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Abnormal Function in Dentate Nuclei Precedes the Onset of Psychosis: A Resting-State fMRI Study in High-Risk Individuals.

Schizophr Bull 2021 May 6. Epub 2021 May 6.

Department of Psychology, Northeastern University, Boston, MA.

Objective: The cerebellum serves a wide range of functions and is suggested to be composed of discrete regions dedicated to unique functions. We recently developed a new parcellation of the dentate nuclei (DN), the major output nuclei of the cerebellum, which optimally divides the structure into 3 functional territories that contribute uniquely to default-mode, motor-salience, and visual processing networks as indexed by resting-state functional connectivity (RsFc). Here we test for the first time whether RsFc differences in the DN, precede the onset of psychosis in individuals at risk of developing schizophrenia. Read More

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Structural alterations in brainstem, basal ganglia and thalamus associated with parkinsonism in schizophrenia spectrum disorders.

Eur Arch Psychiatry Clin Neurosci 2021 May 5. Epub 2021 May 5.

Department of Psychiatry and Psychotherapy, Central Institute of Mental Health, Medical Faculty Mannheim, Heidelberg University, Mannheim, Germany.

The relative roles of brainstem, thalamus and striatum in parkinsonism in schizophrenia spectrum disorder (SSD) patients are largely unknown. To determine whether topographical alterations of the brainstem, thalamus and striatum contribute to parkinsonism in SSD patients, we conducted structural magnetic resonance imaging (MRI) of SSD patients with (SSD-P, n = 35) and without (SSD-nonP, n = 64) parkinsonism, as defined by a Simpson and Angus Scale (SAS) total score of ≥ 4 and < 4, respectively, in comparison with healthy controls (n = 20). FreeSurfer v6. Read More

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Interaction of dicoordinate phosphorus with boranes: chemistry of 3a,6a-diaza-1,4-diphosphapentalene as masked phosphinidene.

Dalton Trans 2021 May;50(17):5890-5898

G. A. Razuvaev Institute of Organometallic Chemistry, Russian Academy of Science 49 Tropinin str., 603137 Nizhny Novgorod, Russia.

Treatment of 3a,6a-diaza-1,4-diphosphapentalene (DDP) with an excess of PhBCl2 yields the corresponding bis(borane) adduct DDP(PhBCl2)2 (14), demonstrating the availability of two lone pairs on the phosphorus center. The reaction between DDP and B(C6F5)3 yields (1 : 1) phosphino-borane complex 16. The free lone electron pair on the pyramidal P atom in 16 participates in the intramolecular non-covalent interactions P(1)F(1) and P(1)F(6) giving additional 3. Read More

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The α-D-anomer of 2'-deoxycytidine: crystal structure, nucleoside conformation and Hirshfeld surface analysis.

Acta Crystallogr C Struct Chem 2021 05 9;77(Pt 5):202-208. Epub 2021 Apr 9.

Laboratory of Bioorganic Chemistry and Chemical Biology, Center for Nanotechnology, Heisenbergstrasse 11, 48149 Münster, Germany.

β-2'-Deoxyribonucleosides are the constituents of nucleic acids, whereas their anomeric α-analogues are rarely found in nature. Moreover, not much information is available on the structural and conformational parameters of α-2'-deoxyribonucleosides. This study reports on the single-crystal X-ray structure of α-2'-deoxycytidine, CHNO (1), and the conformational parameters characterizing 1 were determined. Read More

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Clinical Characteristics of Chinese Male Patients with Aquaporin-4 Antibody-Positive Late-Onset Neuromyelitis Optica Spectrum Disorder.

Neuroimmunomodulation 2021 May 4:1-7. Epub 2021 May 4.

Department of Neurology, The Third Affiliated Hospital, Sun Yat-sen University, Guangzhou, China.

Background And Objective: Limited studies are available for male patients with anti-aquaporin-4 antibody (AQP4-Ab)-positive late-onset neuromyelitis optica spectrum disease (LONMOSD). The aim of this study was to investigate the clinical characteristics of Chinese male patients with AQP4-Ab-positive LONMOSD.

Methods: We retrospectively reviewed the medical records of 12 male patients with LONMOSD, 16 male patients with early-onset NMOSD (EONMOSD), and 64 female patients with LONMOSD. Read More

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The spectrum of functional neurological disorders: A retrospective analysis at a tertiary hospital in South Africa.

S Afr J Psychiatr 2021 19;27:1607. Epub 2021 Apr 19.

Department of Neurology, Nelson R Mandela School of Medicine, University of Kwazulu-Natal, Durban, South Africa.

Background: Functional neurological disorders (FNDs) are commonly encountered in practice; however, there is a paucity of data in Africa.

Aim: To identify and describe the clinical profile of patients presenting with FNDs, underlying medical and psychiatric diagnoses and review the investigation and management of these patients.

Setting: Inkosi Albert Luthuli Central Hospital (IALCH), a tertiary-level hospital in Durban, South Africa. Read More

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MRI Spectrum of Japanese Encephalitis in Northeast India: A Cross-Sectional Study.

J Neurosci Rural Pract 2021 Apr 24;12(2):281-289. Epub 2021 Mar 24.

Department of Radiodiagnosis, North Eastern Indira Gandhi Regional Institute of Health and Medical Sciences, Shillong, Meghalaya, India.

 Japanese encephalitis (JE) is an arthropod-borne flavivirus infection having high mortality and morbidity. This study was performed to evaluate the conventional magnetic resonance imaging (MRI) findings in JE and to find out any difference between pediatric and adult JE.  This retrospective study was performed on serologically positive 54 JE patients presented to a tertiary care hospital with acute encephalitic symptoms between April 2016 and October 2019. Read More

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Dementia and Parkinson-like syndrome with basal ganglia lesion in neuromyelitis optica spectrum disorders.

Neurocase 2021 May 2:1-4. Epub 2021 May 2.

Department of Neurology, Graduate School of Medicine, Chiba University, Chiba, Japan.

Brain lesions in neuromyelitis optica spectrum disorders (NMOSD) are generally located at sites of high anti-aquaporin 4 (AQP4) expression. Clinical features of NMOSD associated with basal ganglia damage in sites not enriched with AQP4 remain unknown. Here we describe the case of an 82-year-old woman who developed dementia and bradykinesia for 5 weeks. Read More

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Individual-based morphological brain network organization and its association with autistic symptoms in young children with autism spectrum disorder.

Hum Brain Mapp 2021 May 2. Epub 2021 May 2.

The Clinical Hospital of Chengdu Brain Science Institute, School of Life Science and Technology, University of Electronic Science and Technology of China, Chengdu, China.

Individual-based morphological brain networks built from T1-weighted magnetic resonance imaging (MRI) reflect synchronous maturation intensities between anatomical regions at the individual level. Autism spectrum disorder (ASD) is a socio-cognitive and neurodevelopmental disorder with high neuroanatomical heterogeneity, but the specific patterns of morphological networks in ASD remain largely unexplored at the individual level. In this study, individual-based morphological networks were constructed by using high-resolution structural MRI data from 40 young children with ASD (age range: 2-8 years) and 38 age-, gender-, and handedness-matched typically developing children (TDC). Read More

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Pain in Axial Spondyloarthritis: More to It Than Just Inflammation.

J Rheumatol 2021 May 1. Epub 2021 May 1.

M.N. Magrey, MD, Professor of Medicine, Case Western Reserve University School of Medicine, Director, Rheumatology Fellowship and Spondylarthritis Clinic, MetroHealth Medical Center, Cleveland, Ohio; P.J. Mease, MD, MACR, Director of Rheumatology Research, Swedish Medical Center/ Providence-St Joseph Health, Clinical Professor, University of Washington School of Medicine, Seattle, Washington, USA. MNM is a consultant for Novartis, AbbVie, UCB, Eli Lilly, and Pfizer; has clinical trials with AbbVie and UCB; and has no conflicts pertinent to this editorial. PJM receives research grants from AbbVie, Amgen, Bristol Myers Squibb, Eli Lilly, Galapagos, Janssen, Novartis, Pfizer, Sun, and UCB; is a consultant for AbbVie, Amgen, Boehringer Ingelheim, Bristol Myers Squibb, Eli Lilly, Galapagos, Gilead, GlaxoSmithKline, Janssen, Novartis, Pfizer, Sun, and UCB; and is on speakers bureaus for AbbVie, Amgen, Eli Lilly, Janssen, Novartis, Pfizer, and UCB. Address correspondence to Dr. M.N. Magrey, 2500 MetroHealth Drive, Cleveland, OH 44109, USA. Email:

The conceptual paradigm of axial spondyloarthritis (axSpA) has evolved and now comprises an expanded spectrum that includes more females and patients with little or no radiographic changes in sacroiliitis or syndesmophyte formation in the spine. This broadened paradigm is often, but not always, characterized by an inflammatory magnetic resonance imaging (MRI) signature. Read More

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The effect of immediate coronary angiography after cardiac arrest without ST-segment elevation on left ventricular function. A sub-study of the COACT randomised trial.

Resuscitation 2021 Apr 28. Epub 2021 Apr 28.

Department of Intensive care medicine, Noord West Ziekenhuisgroep, Alkmaar, The Netherlands.

Background: The effect of immediate coronary angiography and percutaneous coronary intervention (PCI) in patients who are successfully resuscitated after cardiac arrest in the absence of ST-segment elevation myocardial infarction (STEMI) on left ventricular function is currently unknown.

Methods: This prespecified sub-study of a multicentre trial evaluated 552 patients, successfully resuscitated from out-of-hospital cardiac arrest without signs of STEMI. Patients were randomized to either undergo immediate coronary angiography or delayed coronary angiography, after neurologic recovery. Read More

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MRI to detect and localize the area postrema in multiple sclerosis: The role of 3D-DIR and 3D-FLAIR.

J Neuroimaging 2021 Apr 30. Epub 2021 Apr 30.

Radiology Department, Centre Hospitalier Lyon Sud, Hospices Civils de Lyon, Pierre-Bénite, France.

Background And Purpose: Area postrema (AP) is a highly vascularized paired 2 mm-long anatomical structure, localized on the dorsal inferior surface of the medulla oblongata, at the caudal end of the fourth-ventricle. AP is principally affected in AP syndrome, which is commonly associated with autoimmune inflammatory diseases, including essentially neuromyelitis optica spectrum disorder (NMOSD). The aim of this study is to assess the best cerebral MRI sequences and planes for AP detection in order to assist or aid in the diagnosis of difficult NMOSD cases. Read More

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Ginkwanghols A and B, osteogenic coumaric acid-aliphatic alcohol hybrids from the leaves of Ginkgo biloba.

Arch Pharm Res 2021 Apr 30. Epub 2021 Apr 30.

School of Pharmacy, Sungkyunkwan University, Suwon, 16419, Republic of Korea.

Ginkgo biloba (Ginkgoaceae), commonly known as "ginkgo", is called a living fossil, and it has been cultivated early in human history for various uses in traditional medicine and as a source of food. As part of ongoing research to explore the chemical diversity and biologically active compounds from natural resources, two new coumaric acid-aliphatic alcohol hybrids, ginkwanghols A (1) and B (2) were isolated from the leaves of G. biloba. Read More

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Intestinal Dysbiosis Disguised as a Rectal Fistula Treated With Autologous Fecal Microbiota Transplantation.

Cureus 2021 Mar 25;13(3):e14115. Epub 2021 Mar 25.

Gastroenterology, Grand Strand Medical Center, Myrtle Beach, USA.

Fecal microbiota transplantation (FMT) has been efficacious in the treatment of intestinal dysbiosis, derangement of the native intestinal microflora, and the indications for autologous FMT are growing. A 69-year-old Caucasian man with a past medical history of paraplegia secondary to motor vehicle accident and sigmoid-end colostomy presented to his gastroenterologist with the complaint of rectal discharge. A complicated medical course pre-dated his presentation and included multiple decubitus ulcers requiring debridement and several courses of broad-spectrum antibiotics. Read More

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