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1.
Cureus ; 16(2): e55290, 2024 Feb.
Artículo en Inglés | MEDLINE | ID: mdl-38558607

RESUMEN

As laparoscopy gained global popularity in oncologic surgery, the challenge of detecting lymph nodes spurred researchers to explore innovative techniques and approach the situation from a fresh perspective. While many proposed methods have faded into obscurity, the utilization of indocyanine green (ICG) in the surgical treatment of oncologic patients has continued to advance. The immense potential of this dye is widely acknowledged, yet its full extent and limitations in lymphatic mapping for colorectal cancer remain to be precisely determined. This article aims to assess the magnitude of its potential and explore the constraints based on insights from clinical studies published by pioneering researchers. A systematic review of the existing literature, comprising articles in English, was conducted using the Scopus, PubMed, and Springer Link databases. The search employed keywords such as "colorectal cancer" AND/OR "indocyanine green," "fluorescence" AND/OR "lymphatic mapping" AND/OR "lymph nodes." Initially identifying 129 articles, the application of selection criteria narrowed down the pool to 10 articles, which served as the primary sources of data for our review. Despite the absence of a standardized protocol for the application of ICG in colorectal cancer, particularly in the context of lymphatic mapping, the detection rates have exhibited considerable variation across studies. Nevertheless, all authors unanimously regarded this technique as beneficial and promising. Additionally, it is advocated as an adjunctive tool to enhance the accuracy of cancer staging. Near-infrared (NIR)-enhanced surgery holds the promise of transforming the landscape of oncologic surgery, emerging as a valuable tool for surgeons. However, the absence of a standardized technique and the subjective nature of result assessment impose limitations on the potential of this method. Consequently, it can be inferred that the establishment of a universally accepted protocol, encompassing parameters such as dose, concentration, technique, and site of administration of ICG, along with the optimal time needed for fluorescence visualization, would enhance the outcomes. Emphasizing the accurate selection of patients is crucial to prevent the occurrence of false-negative results.

2.
Chirurgia (Bucur) ; 119(eCollection): 1, 2024 Mar.
Artículo en Inglés | MEDLINE | ID: mdl-38483354

RESUMEN

Background: Helicobacter pylori (H. pylori) infection is one of the major current public health problems, its incidence being high worldwide. This condition is associated with other pathologies such as peptic ulcer or gastric cancer, causing a real challenge for specialists in the medical field. Methods:We conducted a retrospective study that includes a cohort of 275 patients who performed EGD and were tested for the presence of H. pylori by the stool antigen test, between July 2022 and December 2023. Results:The cohort had an average age of 62.79 ± 13.8 years old, with a male predominance 156 patients (56.7%) and the most frequent lesion is antral gastritis (149 cases, 54.2%). Gastric ulcer in those with positive tests in H. pylori had a double incidence compared to those in which the infection is not present (19.7% vs. 9.2%, p=0.012). Conclusions:: H. pylori infection still remains a condition that can be complicated by various pathological conditions that can evolve from a slight erosion of the gastric mucosa to digestive neoplasia that require complex multidisciplinary treatments, which is why understanding the mechanisms and applying therapeutic resources as soon as possible is essential.


Asunto(s)
Infecciones por Helicobacter , Helicobacter pylori , Humanos , Masculino , Femenino , Infecciones por Helicobacter/complicaciones , Infecciones por Helicobacter/epidemiología , Estudios Retrospectivos , Resultado del Tratamiento , Heces
3.
Diagnostics (Basel) ; 14(3)2024 Feb 05.
Artículo en Inglés | MEDLINE | ID: mdl-38337862

RESUMEN

Laparoscopic cholecystectomy (LC) is the gold standard treatment in acute cholecystitis. However, one in six cases is expected to be difficult due to intense inflammation and suspected adherence to and involvement of adjacent important structures, which may predispose patients to higher risk of vascular and biliary injuries. In this study, we aimed to identify the preoperative parameters with predictive value for surgical difficulties. A retrospective study of 255 patients with acute cholecystitis admitted in emergency was performed between 2019 and 2023. Patients in the difficult laparoscopic cholecystectomy (DLC) group experienced more complications compared to the normal LC group (33.3% vs. 15.3%, p < 0.001). Age (p = 0.009), male sex (p = 0.03), diabetes (p = 0.02), delayed presentation (p = 0.03), fever (p = 0.004), and a positive Murphy sign (p = 0.007) were more frequently encountered in the DLC group. Total leukocytes, neutrophils, and the neutrophil-to-lymphocyte ratio (NLR) were significantly higher in the DLC group (p < 0.001, p = 0.001, p = 0.001 respectively). The Tongyoo score (AUC ROC of 0.856) and a multivariate model based on serum fibrinogen, thickness of the gallbladder wall, and transverse diameter of the gallbladder (AUC ROC of 0.802) showed a superior predictive power when compared to independent parameters. The predictive factors for DLC should be assessed preoperatively to optimize the therapeutic decision.

4.
J Med Life ; 16(6): 948-952, 2023 Jun.
Artículo en Inglés | MEDLINE | ID: mdl-37675161

RESUMEN

Inguinal hernia, a common surgical pathology, has substantial medical, social, and economic implications. Over time, various repair techniques have been explored to optimize outcomes, considering multiple postoperative factors beyond recurrence risk. This article aims to define anatomical and technical aspects impacting the immediate and late postoperative evolution of patients with inguinal hernia. Precise knowledge of anatomical structures and standardized surgical gestures result in the reduction of intraoperative and postoperative complications. Throughout history, the alloplastic procedure has demonstrated superiority over the anatomical approach, reinforcing the potential for ongoing advancements. Correct performance according to well-defined principles improves patients' quality of life after inguinal hernia surgery. These principles encompass the exact knowledge of anatomy, dissection steps, dissection limits, the sequence of dissection, and the prosthetic materials used. We describe our approach, with the laparoscopic method representing over 90% of cases at our clinic, indicating the shift towards minimally invasive techniques and emphasizing adherence to rigorous principles to achieve low perioperative complications.


Asunto(s)
Hernia Inguinal , Laparoscopía , Humanos , Hernia Inguinal/cirugía , Calidad de Vida , Complicaciones Posoperatorias , Periodo Posoperatorio
5.
Diagnostics (Basel) ; 13(17)2023 Aug 29.
Artículo en Inglés | MEDLINE | ID: mdl-37685328

RESUMEN

(1) Background: Melanoma is one of the most aggressive types of neoplasia, and the management of this pathology requires a correct staging, as well as a personalized modern oncological treatment. The main objective of the study is to determine the variability of the lymphatic drainage for patients with melanomas located on the trunk and, secondarily, to determine the features of individuals who underwent sentinel lymph node biopsy (SLNB) depending on the exact location on the trunk. (2) Methods: This retrospective, observational, single-center study included 62 cases of trunk melanoma operated between July 2019 and March 2023, in which SLNB was performed and a total of 84 lymph nodes were excised. (3) Results: Patients had a median age of 54.5 (33-78) years, with 58.1% being male; the melanomas had a median Breslow index of 2.3 (0.5-12.5) mm. Approximately 64.3% of the cohort had melanoma on the upper part of the trunk (54 cases) and 35.7% had it on the lower part (30 cases). The type of anesthesia chosen was general anesthesia in 53 cases and spinal anesthesia in 9 cases (85.5% vs. 14.5%, p < 0.001). The number of sentinel lymph nodes excised was 54 for melanomas located on the upper part of the trunk (8 cervical and 46 axillary) and 30 sentinel lymph nodes for melanomas of the lower part of the trunk (16 at the axillary level and 14 at the inguinal level). Out of the 54 LNs identified in patients with melanoma on the upper part of the trunk, 13 were positive, with a total of 12 positive lymph nodes (LNs) from the axillar basin, and only one from the cervical region. Additionally, the incidence of patients with a minimum of two identified sentinel lymph nodes was 32.2%, with a total of seven having LN involvement in two basins, and only one of these cases showed positivity for malignancy. (4) Conclusions: SLNBs were more frequent in the axillary region overall, and had more positive SLNs. Moreover, melanoma on the upper part of the trunk had a higher rate of positive SLNs compared to the lower part. Tumors located on the lower part of the truck had more positive SLNs in the axillary region than in the inguinal one.

6.
Cureus ; 15(7): e41886, 2023 Jul.
Artículo en Inglés | MEDLINE | ID: mdl-37581138

RESUMEN

Inguinal hernia repairs are one of the most common procedures in general surgery. In addition to classical open surgery, laparoscopic techniques, such as transabdominal preperitoneal (TAPP) and total extraperitoneal (TEP) hernia repair, have gained acceptance and are increasingly used for inguinal hernia repairs, and these three techniques are the only standards for inguinal hernia repairs. This study aimed to compare the results of inguinal hernia repairs in adult patients using the TAPP patch technique and Lichtenstein techniques regarding the level of pain perceived one day after surgery and the number of days of hospitalization. A two-year study was performed on 129 patients who underwent TAPP vs. 109 patients who underwent Liechtenstein hernia repair. Our results revealed statistical significance for both variables (Tpain(233) = -7.12, p< 0.001, d=2.92; Tdays of hospitalization(233) = -31.34, p< 0.001, d=4.01). TAPP is a safe method for inguinal hernia repairs, allowing quick recovery and less postoperative pain than the classical Liechtenstein technique.

7.
Life (Basel) ; 13(7)2023 Jun 30.
Artículo en Inglés | MEDLINE | ID: mdl-37511855

RESUMEN

Stress urinary incontinence affects a large proportion of women in their lifetime. The objective of this review was to describe and compare the latest surgical trends in urinary incontinence and focus on the literature advantages, disadvantages, complications and efficacy of surgical procedures regarding this pathology. Using network meta-analysis, we have identified the most frequently used procedures (Burch surgery, midurethral sling and pubovaginal sling), and we have described and characterized them in terms of effectiveness and safety. Midurethral procedures remain the gold standard for surgical treatment of stress urinary incontinence, although the potential of serious complications following this procedure should be taken into consideration always. There is a clear need for a much more unified evaluation of possible complications and postoperative evolution. This process will help practitioners to adapt and individualize their strategy for each patient.

8.
Diagnostics (Basel) ; 13(5)2023 Mar 01.
Artículo en Inglés | MEDLINE | ID: mdl-36900069

RESUMEN

BACKGROUND: Melanoma is a malignant tumor that determines approximately 80% of deaths as skin cancer-related. The sentinel lymph node (SLN) represents the first filter of tumor cells toward systemic dissemination. The primary objective was to outline the surgical specifics of the sentinel lymph node biopsy (SLNB) technique, correlate the location of the lymph node with the radiotracer load, and identify the characteristics of older patients. METHODS: In this prospective study, 122 cases of malignant melanoma needing SLNB technique were included, between June 2019 and November 2022, resulting in 162 lymph nodes removed. RESULTS: Patients' mean age was 54.3 ± 14.4 years old, the prevalence of 70 years and older being 20.5%. The rate of positive SLN was 24.6%, with a single drainage in 68.9% of cases. The frequency of seroma was 14.8%, while reintervention 1.6%. The inguinal nodes had the highest preoperative radiotracer load (p = 0.015). Patients 70 years old or older had significantly more advanced-stage melanoma (68.0% vs. 45.4%, p = 0.044, OR = 2.56) and a higher rate of positive SLN (40.0% vs. 20.6%, p = 0.045,OR = 2.57). Melanoma of the head and neck was more common among older individuals (32.0% vs. 9.3%, p = 0.007,OR = 4.60). CONCLUSIONS: The SLNB has a low rate of surgical complications and the positivity of SLN is not related to radiotracer load. Elderly patients are at risk for head and neck melanoma, have more advanced stages, a higher SLN positivity, and a greater rate of surgical complications.

9.
Life (Basel) ; 12(8)2022 Jul 29.
Artículo en Inglés | MEDLINE | ID: mdl-36013336

RESUMEN

The prevalence of diabetic foot complications is continuously increasing as diabetes has become one of the most important "epidemics" of our time. The main objective of this study was to describe the appropriate surgical intervention for the complicated neuropathic diabetic foot; the secondary goal was to find the risk factors associated with minor/major amputation and good or adverse surgical outcomes. This is an observational, retrospective study conducted between 1 January 2018 and 31 December 2019, which included 251 patients from the General Surgery Department at the Dr I. Cantacuzino Clinical Hospital in Bucharest with type II diabetes mellitus and neuropathic diabetic foot complications. The surgical conditions identified at admission were the following: osteitis (38.6%), infected foot ulcer (27.5%), gangrene (20.7%), infected Charcot foot (3.6%), non-healing wound (3.6%), necrosis (3.2%), and granulated wound (2.8%). We found that a minor surgical procedure (transmetatarsal amputation of the toe and debridement) was performed in 85.8% of cases, and only 14.2% needed major amputations. Osteitis was mainly associated with minor surgery (p = 0.001), while the gangrene and the infected Charcot foot were predictable for major amputation, with OR = 2.230, 95% CI (1.024-4.857) and OR = 5.316, 95% CI (1.354-20.877), respectively. Admission anemia and diabetic nephropathy were predictive of a major therapeutical approach, with p = 0.011, OR = 2.975, 95% CI (1.244-8.116) and p = 0.001, OR = 3.565, 95% CI (1.623-7.832), respectively. All the major amputations had a good outcome, while only several minor surgeries were interpreted as the adverse outcome (n = 24). Osteitis (45.8%) and admission anemia (79.2%) were more frequently associated with adverse outcomes, with p = 0.447 and p = 0.054, respectively. The complicated neuropathic diabetic foot requires a surgical procedure mainly associated with a good outcome.

10.
Chemistry ; 28(33): e202201402, 2022 Jun 10.
Artículo en Inglés | MEDLINE | ID: mdl-35604354

RESUMEN

Invited for the cover of this issue is the collaborative research team coordinated by Arie van der Lee at the University of Montpellier. The image depicts chiral channels with highly mobile water molecules resulting from the robust self-organization of a simple achiral acetamide. Fully reversible release and re-uptake of water molecules takes place near ambient conditions, with efficient water transport and a good selectivity against NaCl suggesting it to be an efficient candidate for desalination processes. Read the full text of the article at 10.1002/chem.20200383.


Asunto(s)
Acuaporinas , Agua , Acetamidas
11.
Chemistry ; 28(33): e202200383, 2022 Jun 10.
Artículo en Inglés | MEDLINE | ID: mdl-35420228

RESUMEN

Achiral 2-hydroxy-N-(diphenylmethyl)acetamide (HNDPA) crystallizes in the P61 chiral space group as a hydrate, building up permeable chiral crystalline helical water channels. The crystallization-driven chiral self-resolution process is highly robust, with the same air-stable crystalline form readily obtained under a variety of conditions. Interestingly, the HNDPA supramolecular helix inner pore is filled by a helical water wire. The whole edifice is mainly stabilized by robust hydrogen bonds involving the HNDPA amide bonds and CH… π interactions between the HNDPA phenyl groups. The crystalline structure shows breathing behavior, with completely reversible release and re-uptake of water inside the chiral channel under ambient conditions. Importantly, the HNDPA channel is able to transport water very efficiently and selectively under biomimetic conditions. With a permeability per channel of 3.3 million water molecules per second in large unilamellar vesicles (LUV) and total selectivity against NaCl, the HNDPA channel is a very promising functional nanomaterial for future applications.


Asunto(s)
Acuaporinas , Agua , Acetamidas , Cristalización , Enlace de Hidrógeno , Agua/química
12.
Chirurgia (Bucur) ; 117(1): 14-21, 2022 Feb.
Artículo en Inglés | MEDLINE | ID: mdl-35272750

RESUMEN

Background: Achalasia is a condition that can be treated either by surgery, such as Heller myotomy associated with an antireflux procedure, or by pneumatic dilation, the choice of type of treatment being a widely debated topic nowadays. Methods: We selected patients with the diagnosis of achalasia, calculating the Eckardt score on admission and they were treated by pneumatic dilation, respectively by myotomy associated with fundoplication. Therapeutic success at the end of treatment was analyzed, as well as that in subsequent follow-ups. At the same time, other important aspects of the study were quality of life and complications. Results: Forty-eight patients were included, 20 in the group of those treated by pneumatic dilation, and 28 treated by surgery. The results of the therapeutic success were to the advantage of the surgery, both after the completion of the treatment, and in the follow-ups from one year to 2 years (96.4% vs 90%, respectively 92.9% vs. 85%). The quality of life was better in patients with pneumatic dilation throughout the period. Conclusions: Surgical treatment of achalasia has a higher success rate than pneumatic dilation, but the latter is associated with a better quality of life.


Asunto(s)
Acalasia del Esófago , Dilatación/métodos , Acalasia del Esófago/diagnóstico , Acalasia del Esófago/cirugía , Fundoplicación/métodos , Humanos , Calidad de Vida , Resultado del Tratamiento
13.
Dalton Trans ; 51(13): 5151-5167, 2022 Mar 29.
Artículo en Inglés | MEDLINE | ID: mdl-35266945

RESUMEN

Diastereomeric dinickel(II) complexes with bis-octaazamacrocyclic 15-membered ligands [Ni(L1-3-L1-3)Ni] (4-6) have been prepared by oxidative dehydrogenation of nickel(II) complexes NiL1-3 (1-3) derived from 1,2- and 1,3-diketones and S-methylisothiocarbohydrazide. The compounds were characterized by elemental analysis, ESI mass spectrometry, and IR, UV-vis, 1H NMR, and 13C NMR spectroscopy. Single crystal X-ray diffraction (SC-XRD) confirmed the isolation of the anti and syn isomers of bis-octaazamacrocyclic dinickel(II) complexes 4a and 4s, the syn-configuration of 5s and the anti-configuration of the dinickel(II) complex 6a. Dimerization of prochiral nickel(II) complexes 1-3 generates two chiral centers at the bridging carbon atoms. The anti-complexes were isolated as meso-isomers (4a and 6a) and the syn-compounds as racemic mixtures of R,R/S,S-enantiomers (4s and 5s). The syn-anti isomerization (epimerization) of the isolated complexes in chloroform was disclosed. The isomerization kinetics of 5a was monitored at five different temperatures ranging from 20 °C to 50 °C by 1H NMR spectroscopy indicating the clean conversion of 5a into 5s. The activation barrier determined from the temperature dependence of the rate constants via the Eyring equation was found to be ΔH‡ = 114 ± 1 kJ mol-1 with activation entropy ΔS‡ = 13 ± 3 J K-1 mol-1. The complexes contain two low-spin nickel(II) ions in a square-planar coordination environment. The electrochemical behavior of 4a, 4s, 5s and 6a and the electronic structure of the oxidized species were studied by UV-vis-NIR-spectroelectrochemistry (SEC) and DFT calculations indicating the redox non-innocent behavior of the complexes. The dinickel(II) complexes 4a, 4s, 5s and 6a/6s were investigated as catalysts for microwave-assisted solvent-free oxidation of cyclohexane by tert-butyl hydroperoxide to produce a mixture of cyclohexanone and cyclohexanol (KA oil). The best value for KA oil yield (16%) was obtained with a mixture of 6a/6s after 2 h of microwave irradiation at 100 °C.


Asunto(s)
Compuestos Organometálicos , Cristalografía por Rayos X , Ciclohexanos , Teoría Funcional de la Densidad , Isomerismo , Ligandos , Compuestos Organometálicos/química , Oxidación-Reducción
14.
Chirurgia (Bucur) ; 116(5): 568-572, 2021 Oct.
Artículo en Inglés | MEDLINE | ID: mdl-34749852

RESUMEN

Background: Nowadays, the repair of inguinal hernias is mostly achieved through a minimally invasive approach (TAPP or TEP) which has well-known advantages. However, the Lichtenstein mesh technique still has some particular indications. Methods: We reviewed 256 consecutive patients who underwent a Lichtenstein procedure during 5 years (2015-2019) in the Department of General Surgery of "Dr. I. Cantacuzino" Clinical Hospital. The vast majority of them - 180 (74%) were 60 or older and 105 (41%) were over 70. Severe cardiovascular diseases, diabetes mellitus and other significant co-morbidities were recorded in 128 patients (50%). Results: 240 patients had a favorable evolution, 12 experienced local complications, while in 4 we recorded severe cardiac post-operative events.1 patient died due to a massive myocardial infarction. Conclusions: The surgical treatment of inguinal hernias should be adapted to the age and biological status of the patient; surgical departments must be able to provide both a laparoscopic and an open-surgery approach.


Asunto(s)
Hernia Inguinal , Laparoscopía , Hernia Inguinal/cirugía , Herniorrafia , Humanos , Recurrencia , Mallas Quirúrgicas , Resultado del Tratamiento
15.
Chem Sci ; 12(24): 8537-8547, 2021 May 03.
Artículo en Inglés | MEDLINE | ID: mdl-34221335

RESUMEN

The thermal expansion properties of crystalline organic compounds are investigated by data mining of the Cambridge Structural Database (CSD). The mean volumetric thermal expansion coefficient is 168.8 × 10-6 K-1 and the mean uniaxial thermal expansion coefficient is 71.4 × 10-6 K-1, based on 745 and 1129 different observations, respectively. Normal and anomalous coefficients can be identified using these values and the associated standard deviations. The anisotropy of the thermal expansion is also evaluated and found to have a very broad distribution. 4719 different structures, comprising 4093 different molecular compounds and 626 additional polymorphs have been analyzed on their thermal expansion properties. Approximately 34% of these structures may have at least one orthogonal axis with negative thermal expansion, much more than generally believed. Moreover 127 structures have been identified which could have negative volumetric thermal expansion. Experimental validation using a robust protocol with data collected at more than 2 different temperatures is required to validate these cases.

16.
Exp Ther Med ; 21(5): 519, 2021 May.
Artículo en Inglés | MEDLINE | ID: mdl-33815592

RESUMEN

The present study investigated the effects of the COVID-19 pandemic on the clinical presentation and therapeutic management of acute surgical abdomen. A retrospective study of emergency hospitalizations with a diagnosis of acute surgical abdomen between April and July 2020 vs. a similar period in 2019 was performed. The observation sheets and the operating protocols were analyzed. Between April and July 2020, 50 cases of acute surgical abdomen were hospitalized and treated, compared to 43 cases in the same period last year. The main types of pathology in both groups included: Occlusions (60%, respectively 44.2% in 2019) and peritonitis (32%, respectively 41.8% in 2019). There was an increased rate of patients with colorectal cancers neglected therapeutically or uninvestigated, who presented during the pandemic period with emergencies for complications such as occlusion or tumor perforation (32 vs. 6.97%, P=0.0039). One case, with gastric perforation, was COVID-positive, with no pulmonary symptoms at admission. The number of postoperative infectious complications was lower during the pandemic (2 vs. 13.95%, P=0.0461). As the COVID-19 pandemic appears to be still far from ending, we should learn to adapt our surgical protocols to the new evidence. Oncological patients are a vulnerable group, who were neglected in the first months of the pandemic. SARS-Cov-2 infection may be a cause of abdominal pain and should be taken into account in different diagnoses of acute abdomen in surgical wards. Correct wearing of adequate personal protective equipment (PPE) and respecting strict rules of asepsis and antisepsis are required for preventing in-hospital transmission of infection.

17.
RSC Adv ; 11(14): 8178-8197, 2021 Feb 17.
Artículo en Inglés | MEDLINE | ID: mdl-35423343

RESUMEN

The crystalline forms of tris(pyridin-2-yl)phosphoric triamide, OP[NH-2Py]3 were investigated using single crystal X-ray diffraction, both as a metal complex [Co{(O)P[NH-2Py]2[NH-2PyH]}2]Cl3, compound 1, and as the purely organic pseudopolymorphs, the pure/anhydrate OP[NH-2Py]3, 2, monohydrate 2OP[NH-2Py]3·H2O, 3 and solvate 2OP[NH-2Py]3·2DMF·H2O, 4, respectively. An improved model of the metal organic framework (MOF) structure of Cu(ii)O6 {[Cu(OCHO)3][(CH3)2NH2]} n , 5 is also reported. Compound 1 is the first example of a discrete chelate phosphoric triamide (PT) complex with an [N]3P(O)-based backbone which in the PT compound acts as a flexible tridentate ligand. The structures 1, 3 and 4 crystallize in the monoclinic space group P21/n, while the anhydrous form 2 crystallizes in the R3̄ trigonal space group. 5 which was obtained as a byproduct of the synthesis process of coordination compounds of OP[NH-2Py]3, crystallizes in the monoclinic space group I2/c. Hydrogen bonding pattern analysis for the different solid state forms of OP[NH-2Py]3 (2-4) shows a 2D sheet of the N-H⋯N linked molecules for 2, and a 1D chain and a ten-membered ring motif, both formed via the hydrogen bonds N-H⋯O, N-H⋯N and O-H⋯O, for 3 and 4, respectively. Of note is the unusual absence of the expected hydrogen bond interaction N-H⋯O[double bond, length as m-dash]P of PT compounds and also a lack of any significant π interactions in structure 2. The role of the solvent/hydrate and substituent (aminopyridine) in the formation of the expected hydrogen bond interactions in the studied solid state forms is also investigated. For these structures, crystal packing analysis using 3D Hirshfeld surface (HS), 2D fingerprint plot (FP) and enrichment ratio (E) calculations confirm a competition between the pyridinyl nitrogen and phosphoryl oxygen atoms as H-bond acceptors to construct the N-H⋯N or N-H⋯O contacts. Moreover, the significant differences between the anhydrous form of OP[NH-2Py]3, 2, and the monohydrate and solvate forms, 3 and 4, can be correlated to the pseudo-infinite (in 2) versus finite values (in 3 and 4) for the upper values of d e and d i on the related full FPs.

18.
Artículo en Inglés | MEDLINE | ID: mdl-32916973

RESUMEN

Specific and older age-associated comorbidities increase mortality risk in severe forms of coronavirus disease (COVID-19). We matched COVID-19 comorbidities with causes of death in 28 EU countries for the total population and for the population above 65 years and applied a machine-learning-based tree clustering algorithm on shares of death for COVID-19 comorbidities and for influenza and on their growth rates between 2011 and 2016. We distributed EU countries in clusters and drew a map of the EU populations' vulnerabilities to COVID-19 comorbidities and to influenza. Noncommunicable diseases had impressive shares of death in the EU but with substantial differences between eastern and western countries. The tree clustering algorithm accurately indicated the presence of western and eastern country clusters, with significantly different patterns of disease shares of death and growth rates. Western populations displayed higher vulnerability to malignancy, blood-related diseases, and diabetes mellitus and lower respiratory diseases, while eastern countries' populations suffered more from ischaemic heart, cerebrovascular, and circulatory diseases. Dissimilarities between EU countries were also present when influenza was considered. The heat maps of EU populations' vulnerability to diseases based on mortality indicators constitute the basis for more targeted health policy strategies in a collaborative effort at the EU level.


Asunto(s)
Infecciones por Coronavirus/epidemiología , Coronavirus , Mortalidad , Neumonía Viral/epidemiología , Anciano , Betacoronavirus , COVID-19 , Infecciones por Coronavirus/mortalidad , Europa (Continente)/epidemiología , Humanos , Pandemias , Neumonía Viral/mortalidad , SARS-CoV-2
19.
Biomolecules ; 10(9)2020 08 20.
Artículo en Inglés | MEDLINE | ID: mdl-32825480

RESUMEN

A series of four water-soluble salicylaldehyde thiosemicarbazones with a positively charged trimethylammonium moiety ([H2LR]Cl, R = H, Me, Et, Ph) and four copper(II) complexes [Cu(HLR)Cl]Cl (1-4) were synthesised with the aim to study (i) their antiproliferative activity in cancer cells and, (ii) for the first time for thiosemicarbazones, the interaction with membrane transport proteins, specifically organic cation transporters OCT1-3. The compounds were comprehensively characterised by analytical, spectroscopic and X-ray diffraction methods. The highest cytotoxic effect was observed in the neuroblastoma cell line SH-5YSY after 24 h exposure and follows the rank order: 3 > 2 > 4 > cisplatin > 1 >>[H2LR]Cl. The copper(II) complexes showed marked interaction with OCT1-3, comparable to that of well-known OCT inhibitors (decynium 22, prazosin and corticosterone) in the cell-based radiotracer uptake assays. The work paves the way for the development of more potent and selective anticancer drugs and/or OCT inhibitors.


Asunto(s)
Aldehídos/farmacología , Antineoplásicos/farmacología , Complejos de Coordinación/farmacología , Cobre/farmacología , Proteínas de Transporte de Catión Orgánico/antagonistas & inhibidores , Tiosemicarbazonas/farmacología , Aldehídos/química , Antineoplásicos/síntesis química , Antineoplásicos/química , Línea Celular , Proliferación Celular/efectos de los fármacos , Complejos de Coordinación/síntesis química , Complejos de Coordinación/química , Cobre/química , Cristalografía por Rayos X , Ensayos de Selección de Medicamentos Antitumorales , Humanos , Modelos Moleculares , Estructura Molecular , Proteínas de Transporte de Catión Orgánico/metabolismo , Tiosemicarbazonas/química
20.
Acta Crystallogr B Struct Sci Cryst Eng Mater ; 76(Pt 4): 661-673, 2020 Aug 01.
Artículo en Inglés | MEDLINE | ID: mdl-32831285

RESUMEN

Compound 6,6'-([1]benzothieno[3,2-b][1]benzothiophene-2,7-diyl)bis(butan-1-ol) (BTBT-C4OH) displays a continuous type 0 first-order isosymmetric phase transition at 200 K which is accompanied by a continuous change of the thermal expansion along the b axis from positive to negative. The equivalent isotropic atomic displacement parameters for all non-hydrogen atoms as well as all the eigenvalues of the anisotropic atomic displacement tensor show discontinuous behavior at the phase transition. The eigenvalues of the translational tensor in a rigid-body description of the molecule are all discontinuous at the phase transition, but the librational eigenvalues are discontinuous only in their temperature derivative. BTBT-C4OH displays a similar type of quasi-supercritical phase transition as bis(hydroxyhexyl)[1]benzothieno[3,2-b][1]benzothiophene (BTBT-C6OH), despite the difference in molecular packing and the very large difference in thermal expansion magnitudes.

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