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1.
J Org Chem ; 83(11): 6142-6150, 2018 06 01.
Artículo en Inglés | MEDLINE | ID: mdl-29728046

RESUMEN

The electronic properties of a pyrazine-containing arylene ethynylene unit are influenced by hydrogen bond and halogen bond donors that are held in proximity of the pyrazine rotor. These interactions are evident with iodine- and bromine-centered halogen bonds and O-H- and C-H-based hydrogen bonds. Bathochromic shifts of UV-vis and fluorescence signals are the best indicators of this intramolecular attraction. The effects can be attenuated in solvents that are less favorable for intramolecular halogen or hydrogen bonding, such as 2-propanol, and amplified in solvents that are supportive, such as toluene. Intramolecular attractions promote planarity in the pyrazine ethynylene system, likely increasing the effective conjugation of the unsaturated backbone. Additionally, computations at the B3LYP and M062X levels of theory using 6-311++G(2d,p) and aug-cc-pVTZ basis sets suggest that the Lewis acidity of the halogen and hydrogen atoms influences electronic behavior even in the absence of conformational constraints.

2.
BMC Sports Sci Med Rehabil ; 13(1): 13, 2021 Feb 16.
Artículo en Inglés | MEDLINE | ID: mdl-33593428

RESUMEN

BACKGROUND: Artificial intelligence (AI) is one of the most promising areas in medicine with many possibilities for improving health and wellness. Already today, diagnostic decision support systems may help patients to estimate the severity of their complaints. This fictional case study aimed to test the diagnostic potential of an AI algorithm for common sports injuries and pathologies. METHODS: Based on a literature review and clinical expert experience, five fictional "common" cases of acute, and subacute injuries or chronic sport-related pathologies were created: Concussion, ankle sprain, muscle pain, chronic knee instability (after ACL rupture) and tennis elbow. The symptoms of these cases were entered into a freely available chatbot-guided AI app and its diagnoses were compared to the pre-defined injuries and pathologies. RESULTS: A mean of 25-36 questions were asked by the app per patient, with optional explanations of certain questions or illustrative photos on demand. It was stressed, that the symptom analysis would not replace a doctor's consultation. A 23-yr-old male patient case with a mild concussion was correctly diagnosed. An ankle sprain of a 27-yr-old female without ligament or bony lesions was also detected and an ER visit was suggested. Muscle pain in the thigh of a 19-yr-old male was correctly diagnosed. In the case of a 26-yr-old male with chronic ACL instability, the algorithm did not sufficiently cover the chronic aspect of the pathology, but the given recommendation of seeing a doctor would have helped the patient. Finally, the condition of the chronic epicondylitis in a 41-yr-old male was correctly detected. CONCLUSIONS: All chosen injuries and pathologies were either correctly diagnosed or at least tagged with the right advice of when it is urgent for seeking a medical specialist. However, the quality of AI-based results could presumably depend on the data-driven experience of these programs as well as on the understanding of their users. Further studies should compare existing AI programs and their diagnostic accuracy for medical injuries and pathologies.

3.
Am J Orthop (Belle Mead NJ) ; 43(7): 325-7, 2014 Jul.
Artículo en Inglés | MEDLINE | ID: mdl-25046186

RESUMEN

We report the case of a 16-year-old boy with isolated septic arthritis of a lumbar facet. This rare presentation of an infection in a lumbar facet joint occurred after minor trauma sustained in a football game. Septic arthritis of the spinal facet joint is an uncommon phenomenon. Only 5 cases have been reported in immunocompromised pediatric patients. To our knowledge, no case of septic arthritis in an immunocompetent pediatric patient has been reported. An otherwise healthy 16-year-old boy presented with 4 weeks of escalating back pain after a minor athletics-related trauma. Evaluation showed incapacitating pain, lumbar musculature spasms, and the absence of fever, hemodynamic, or neurologic changes. Laboratory values were within normal limits. Magnetic resonance images showed a fluid collection within the L3-L4 facet and a localized abscess. Computed tomographic-guided aspiration showed methicillin-resistant Staphylococcus aureus infection, for which the patient received 6 weeks of vancomycin with complete resolution of symptoms. Refractory lumbago in an adolescent requires careful evaluation.


Asunto(s)
Artritis Infecciosa/etiología , Traumatismos en Atletas/complicaciones , Staphylococcus aureus Resistente a Meticilina/aislamiento & purificación , Infecciones Estafilocócicas/microbiología , Articulación Cigapofisaria/microbiología , Adolescente , Artritis Infecciosa/diagnóstico , Artritis Infecciosa/tratamiento farmacológico , Artritis Infecciosa/microbiología , Traumatismos en Atletas/diagnóstico , Fútbol Americano/lesiones , Humanos , Inmunocompetencia , Vértebras Lumbares/microbiología , Imagen por Resonancia Magnética , Masculino , Infecciones Estafilocócicas/diagnóstico , Infecciones Estafilocócicas/tratamiento farmacológico
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