Ana Carolina Ferreira de Albuquerque
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View article: Systemic Air Embolism Leading to Cardiorespiratory Arrest Following a CT-Guided Biopsy: A Case Report
Systemic Air Embolism Leading to Cardiorespiratory Arrest Following a CT-Guided Biopsy: A Case Report Open
CT-guided transthoracic lung biopsy is a commonly performed procedure for diagnosing pulmonary lesions. While generally safe, it has known risks. Pneumothorax, pulmonary hemorrhage, and hemoptysis are among the most frequent complications.…
View article: Lignanamides from the Roots of <i>Metternichia macrocalyx</i> and Their Anti-inflammatory Activity
Lignanamides from the Roots of <i>Metternichia macrocalyx</i> and Their Anti-inflammatory Activity Open
Five new lignanamides (1-5) and ten known amides (6-15) were isolated from the chloroform extract of Metternichia macrocalyx roots. The structures of the new compounds were elucidated via analysis of NMR …
View article: Milligram scale enantioresolution of promethazine and its main metabolites, determination of their absolute configuration and assessment of enantioselective effects on human SY-SY5Y cells
Milligram scale enantioresolution of promethazine and its main metabolites, determination of their absolute configuration and assessment of enantioselective effects on human SY-SY5Y cells Open
The misuse of pharmaceuticals has significantly increased in recent decades, becoming a major public health concern. The risks associated with medication misuse are particularly high in cases of overdose, especially when the active substan…
View article: Are we still chasing molecules that were never there? The role of quantum chemical simulations of NMR parameters in structural reassignment of natural products
Are we still chasing molecules that were never there? The role of quantum chemical simulations of NMR parameters in structural reassignment of natural products Open
Covering: 2019 to 2023. Even with the advent of modern and complementary spectroscopy techniques, comprehensive characterization of natural product continues to represent an onerous and time-consuming task, being far away to become rather …
View article: Framework for strategic foresight in dementia care in Portugal
Framework for strategic foresight in dementia care in Portugal Open
Introduction: Neurological disorders have become the leading cause of global disease burden, posing a significant public health challenge. With an aging global population, conditions like Alzheimer's disease and other dementias are expecte…
View article: Study of the Three-Dimensional Structure of Tryptophan Zipper Peptides through 1H NMR Chemical Shifts Calculations
Study of the Three-Dimensional Structure of Tryptophan Zipper Peptides through 1H NMR Chemical Shifts Calculations Open
Three-dimensional structures of proteins are intimately linked to their functions, therefore understanding their conformation in solution is essential. While nuclear magnetic resonance spectroscopy and X-ray crystallography are widely empl…
View article: Study of the three-dimensional structure of tryptophan zipper peptides through ¹H NMR chemical shifts calculations
Study of the three-dimensional structure of tryptophan zipper peptides through ¹H NMR chemical shifts calculations Open
Most biological functions of proteins are directly connected to their primary structures and, encoded by these, to the spatial conformations they assume in solution. Therefore, the study of the three-dimensional structures of proteins is e…
View article: Primary Central Nervous System Lymphoma with Exclusive Leptomeningeal Involvement: The Diagnostic Challenge of a Rare Presentation of an Uncommon Disease
Primary Central Nervous System Lymphoma with Exclusive Leptomeningeal Involvement: The Diagnostic Challenge of a Rare Presentation of an Uncommon Disease Open
Primary central nervous system lymphoma (PCNSL) is a rare and aggressive extra-nodal non-Hodgkin lymphoma (NHL). It must be confined to the brain, eyes, spinal cord or leptomeninges without systemic involvement at the time of diagnosis. Di…
View article: Artery of Percheron Ischaemic Stroke: A Classic Presentation of a Rare Case
Artery of Percheron Ischaemic Stroke: A Classic Presentation of a Rare Case Open
The artery of Percheron (AoP) is a rare anatomic variant, where the paramedian thalami and the rostral midbrain are supplied by an artery emerging from the P1 segment of the posterior cerebral artery. Ischaemic infarction of the artery of …
View article: Author response for "Revisiting the structure of Heliannuol L: A computational approach"
Author response for "Revisiting the structure of Heliannuol L: A computational approach" Open
View article: Author response for "Revisiting the structure of Heliannuol L: A computational approach"
Author response for "Revisiting the structure of Heliannuol L: A computational approach" Open
View article: CCDC 1991277: Experimental Crystal Structure Determination
CCDC 1991277: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: COMBINAÇÃO DE FATORES DE ESCALONAMENTOS DE DESLOCAMENTOS QUÍMICOS DE RMN DE 13C E 1H (BASEADOS EM REGRESSÕES LINEARES) E DE REDES NEURAIS PARA AUXILIAR A DETERMINAÇÃO ESTRUTURAL DA SAVININA / COMBINATION OF SCALING FACTORS OF 13C AND 1H NMR CHEMICAL SHIFTS (BASED ON LINEAR REGRESSIONS) AND NEURAL NETWORKS TO AID THE STRUCTURAL DETERMINATION OF SAVININ
COMBINAÇÃO DE FATORES DE ESCALONAMENTOS DE DESLOCAMENTOS QUÍMICOS DE RMN DE 13C E 1H (BASEADOS EM REGRESSÕES LINEARES) E DE REDES NEURAIS PARA AUXILIAR A DETERMINAÇÃO ESTRUTURAL DA SAVININA / COMBINATION OF SCALING FACTORS OF 13C AND 1H NMR CHEMICAL SHIFTS (BASED ON LINEAR REGRESSIONS) AND NEURAL NETWORKS TO AID THE STRUCTURAL DETERMINATION OF SAVININ Open
View article: CÁLCULOS DE RMN DE 13C POR MEIO DAS ABORDAGENS GIAO, CSGT E IGAIM: FATORES DE ESCALONAMENTOS PARA TERPENOS / 13C NMR CALCULATIONS USING THE GIAO, CSGT AND IGAIM APPROACHES: SCALING FACTORS FOR TERPENES
CÁLCULOS DE RMN DE 13C POR MEIO DAS ABORDAGENS GIAO, CSGT E IGAIM: FATORES DE ESCALONAMENTOS PARA TERPENOS / 13C NMR CALCULATIONS USING THE GIAO, CSGT AND IGAIM APPROACHES: SCALING FACTORS FOR TERPENES Open
View article: COMBINAÇÃO DE FATORES DE ESCALONAMENTOS DE DESLOCAMENTOS QUÍMICOS DE RMN DE 13C E 1H (BASEADOS EM REGRESSÕES LINEARES) E DE REDES NEURAIS PARA AUXILIAR A DETERMINAÇÃO ESTRUTURAL DA SAVININA / COMBINATION OF 13C AND 1H NMR CHEMICAL SHIFT SCALING FACTORS (BASED ON LINEAR REGRESSIONS) AND NEURAL NETWORKS TO AID SAVININA STRUCTURAL DETERMINATION
COMBINAÇÃO DE FATORES DE ESCALONAMENTOS DE DESLOCAMENTOS QUÍMICOS DE RMN DE 13C E 1H (BASEADOS EM REGRESSÕES LINEARES) E DE REDES NEURAIS PARA AUXILIAR A DETERMINAÇÃO ESTRUTURAL DA SAVININA / COMBINATION OF 13C AND 1H NMR CHEMICAL SHIFT SCALING FACTORS (BASED ON LINEAR REGRESSIONS) AND NEURAL NETWORKS TO AID SAVININA STRUCTURAL DETERMINATION Open
View article: Study of the Chemical Structures of Helianuois G and H by Theoretical Calculations of 1H NMR Chemical Shifts
Study of the Chemical Structures of Helianuois G and H by Theoretical Calculations of 1H NMR Chemical Shifts Open
This article describes the protocol for theoretical calculations of 1 H NMR chemical shifts at DFT levels followed by the application of the DP4+ method, used to estabilish correctly and unequivocally the structure of Heliannuols G and H, …
View article: ESPECTROSCOPIA COMPUTACIONAL APLICADA AO REASSINALAMENTO ESTRUTURAL DE MOLÉCULAS QUIRAIS: HELIANNUOL L
ESPECTROSCOPIA COMPUTACIONAL APLICADA AO REASSINALAMENTO ESTRUTURAL DE MOLÉCULAS QUIRAIS: HELIANNUOL L Open
In the past, structure determination of natural products was an arduous process depending almost entirely on chemical synthesis, mainly by derivatization and degradation processes, taking years of effort. Recently, structural elucidation o…
View article: Estudo do tautomerismo ceto-enólico da 7-epi-clusianona através de cálculos teóricos de deslocamentos químicos de RMN
Estudo do tautomerismo ceto-enólico da 7-epi-clusianona através de cálculos teóricos de deslocamentos químicos de RMN Open
The properties of natural products, including their biological and pharmacological activities, are directly correlated with their chemical structures. Thus, a correct structural characterization of these compounds is a crucial step to the …
View article: Use of a theoretical prediction method and quantum chemical calculations for the design, synthesis and experimental evaluation of three green corrosion inhibitors for mild steel
Use of a theoretical prediction method and quantum chemical calculations for the design, synthesis and experimental evaluation of three green corrosion inhibitors for mild steel Open
View article: Absolute Configuration of (−)-Cubebin, a Classical Lignan with Pharmacological Potential, Defined by Means of Chiroptical Spectroscopy
Absolute Configuration of (−)-Cubebin, a Classical Lignan with Pharmacological Potential, Defined by Means of Chiroptical Spectroscopy Open
This work describes the first determination of the absolute configuration (AC) of (-)-cubebin by means of electronic circular dichroism (ECD), supported by quantum chemical calculations.The comparison of experimental ECD with the correspon…
View article: F110. THE BRIEF NEGATIVE SYMPTOM SCALE (BNSS): VALIDATION IN A MULTICENTER BRAZILIAN STUDY
F110. THE BRIEF NEGATIVE SYMPTOM SCALE (BNSS): VALIDATION IN A MULTICENTER BRAZILIAN STUDY Open
Negative symptoms are a core feature of schizophrenia. The Brief Negative Symptom Scale (BNSS) is a new scale developed to assess negative symptoms in schizophrenia. The present study aimed to examine the construct validity of BNSS, by usi…
View article: Synthesis, Structural Elucidation and Trypanocidal Activity of 2-thiocyanil-1,4-naphthoquinone
Synthesis, Structural Elucidation and Trypanocidal Activity of 2-thiocyanil-1,4-naphthoquinone Open
View article: Structural Determination of Complex Natural Products by Quantum Mechanical Calculations of ¹³C NMR Chemical Shifts: Development of a Parameterized Protocol for Terpenes
Structural Determination of Complex Natural Products by Quantum Mechanical Calculations of ¹³C NMR Chemical Shifts: Development of a Parameterized Protocol for Terpenes Open