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1.
J Environ Manage ; 360: 121162, 2024 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-38749129

RESUMO

Biochar has a wide range of applications, including environmental management, such as preventing soil and water pollution, removing heavy metals from water sources, and reducing air pollution. However, there are several challenges associated with the usage of biochar for these purposes, resulting in an abundance of experimental data in the literature. Accordingly, the purpose of this study is to examine the use of machine learning in biochar processes with an eye toward the potential of biochar in environmental remediation. First, recent developments in biochar utilization for the environment are summarized. Then, a bibliometric analysis is carried out to illustrate the major trends (demonstrating that the top three keywords are heavy metal, wastewater, and adsorption) and construct a comprehensive perspective for future studies. This is followed by a detailed review of machine learning applications, which reveals that adsorption efficiency and capacity are the primary utilization targets in biochar utilization. Finally, a comprehensive perspective is provided for the future. It is then concluded that machine learning can help to detect hidden patterns and make accurate predictions for determining the combination of variables that results in the desired properties which can be later used for decision-making, resource allocation, and environmental management.


Assuntos
Carvão Vegetal , Recuperação e Remediação Ambiental , Aprendizado de Máquina , Carvão Vegetal/química , Recuperação e Remediação Ambiental/métodos , Adsorção , Metais Pesados/análise
2.
Environ Res ; 217: 114785, 2023 01 15.
Artigo em Inglês | MEDLINE | ID: mdl-36395866

RESUMO

Today, it is known that most of the water sources in the world are either drying out or contaminated. With the increasing population, the water demand is increasing drastically almost in every sector each year, which makes processes like water treatment and desalination one of the most critical environmental subjects of the future. Therefore, developing energy-efficient and faster methods are a must for the industry. Using functional groups on the membranes is known to be an effective way to develop shorter routes for water treatment. Accordingly, a review of nano-porous structures having functional groups used or designed for desalination and water treatment is presented in this study. A systematic scan has been conducted in the literature for the studies performed by molecular dynamics simulations. The selected studies have been classified according to membrane geometry, actuation mechanism, functionalized groups, and contaminant materials. Permeability, rejection rate, pressure, and temperature ranges are compiled for all of the studies examined. It has been observed that the pore size of a well-designed membrane should be small enough to reject contaminant molecules, atoms, or ions but wide enough to allow high water permeation. Adding functional groups to membranes is observed to affect the permeability and the rejection rate. In general, hydrophilic functional groups around the pores increase membrane permeability. In contrast, hydrophobic ones decrease the permeability. Besides affecting water permeation, the usage of charged functional groups mainly affects the rejection rate of ions and charged molecules.


Assuntos
Membranas Artificiais , Purificação da Água , Humanos , Permeabilidade , Íons , Interações Hidrofóbicas e Hidrofílicas , Purificação da Água/métodos
3.
J Clin Transl Res ; 8(4): 272-275, 2022 Aug 29.
Artigo em Inglês | MEDLINE | ID: mdl-35975187

RESUMO

Background: Large cell neuroendocrine carcinomas (LCNEC) of the colon are an extremely rare and aggressive type of colorectal cancer. While multifocality is more frequently seen in small intestine NECs, no cases of multifocal NEC of the colon have been reported before. Aim: A 69-year-old male patient presented with abdominal pain. Colonoscopy revealed a necrotic-polypoid mass in the sigmoid colon and the biopsy result was reported as malignant epithelial tumor. Laparoscopic anterior resection was performed with the preliminary diagnosis of colon adenocarcinoma. Histopathological examination revealed three polypoid tumors, the largest of which was 4 cm, in the sigmoid colon. Immunohistochemical examination showed positivity for synaptophysin, chromogranin, and CDX2. High Ki67 proliferation index, high mitosis, and widespread p53 expression were observed in all tumors. With these findings, a diagnosis of multifocal large cell NEC was made. To the best of our knowledge, this is the first report describing a case of multifocal large cell NEC of the colon. Relevance for Patients: LCNECs of the colon are very aggressive. Here, we report for the first time a case of multifocal LCNEC. In a short period of 1 month after the surgery, new widespread metastases were detected in the liver. Therefore, these tumors should be followed more closely than usual for early treatment.

5.
Int J Impot Res ; 29(4): 175-178, 2017 Jul.
Artigo em Inglês | MEDLINE | ID: mdl-28424502

RESUMO

This study aimed to measure the serum endocan level of patients with erectile dysfunction (ED) and to investigate the possible association between the Endothelial-specific molecule-1 (Endocan) level and ED. Twenty healthy and sixty-four male patients included in the study were divided into four groups: severe ED (19 patients), moderate ED (24 patients), mild ED (21 patients) and control group (20 healthy men). The erectile function of all the patients was evaluated using the International Index of Erectile Function-5 (IIEF-5) questionnaire. The body mass index (BMI) of each participant was determined, together with levels of fasting blood glucose, total testosterone, low- and high-density lipoprotein cholesterol, triglyceride and endocan in serum samples. No significant difference was found between the three ED groups and the control group in terms of the mean age, BMI and the levels of cholesterol and fasting blood glucose (P>0.05). The mean serum endocan level was found to 1.076±0.5, 0.674±0.40 and 0.671±0.3 ng ml-1 in the severe, moderate and mild ED groups, respectively. This indicated that the highest value was obtained from the severe ED group, and the difference between the severe ED group and the other groups was statistically significant. In the control group, the serum endocan level was 0.73±0.46 ng ml-1, which was significantly higher compared to the moderate and mild ED groups (P<0.05). The significant difference between the control and ED groups in terms of the serum endocan level can assist in the evaluation of endothelial pathologies in the etiology ED.


Assuntos
Disfunção Erétil/sangue , Disfunção Erétil/diagnóstico , Proteínas de Neoplasias/sangue , Proteoglicanas/sangue , Adulto , Blogging , Índice de Massa Corporal , Humanos , Lipídeos/sangue , Masculino , Pessoa de Meia-Idade , Projetos Piloto , Índice de Gravidade de Doença , Testosterona/sangue
6.
J Gynecol Obstet Hum Reprod ; 46(3): 243-247, 2017 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-28403921

RESUMO

AIM: Oxidative stress and impaired antioxidative system are implicated in the development of many disease states including gynecological diseases. In the present study, we aimed to investigate the oxidative-antioxidative status in endometrium of patients diagnosed with benign gynecological disorders. METHODS: Samples of endometria and blood were obtained from 65 patients admitted to our center for abnormal uterine bleeding or postmenopausal bleeding. Endometrial biopsy was performed for the evaluation of histopathology and oxidative-antioxidative status in endometrial tissue. Based on histological examination, subjects were divided into groups as follows: normal controls (n=15); patients with endometrial polyps (n=20); patients with uterine myoma (n=10) patients with chronic endometritis (n=10), and patients with atrophic endometrium (n=10). Activities of superoxide dismutase (SOD), catalase (CAT), glutathione reductase (GR) and total antioxidant status (TOS), total oxidant status (TAS) were assessed. RESULTS: Compared to the normal controls, nonsignificant changes (decrease or increase) were detected in antioxidant enzyme activities, TAS and TOS in the examined groups. Additionally, between TAS and TOS, we also found a strong positive correlation in normal and chronic endomethritis groups and a moderate positive correlation uterine myoma, endometrial polyps and endometrial atrophy groups. CONCLUSION: Even though, our results do not allow to conclude how oxidative and antioxidative status are influenced in benign gynecological disorders, these findings may provide a basis for the further researches.


Assuntos
Antioxidantes/metabolismo , Catalase/metabolismo , Endométrio/metabolismo , Glutationa Redutase/metabolismo , Superóxido Dismutase/metabolismo , Adulto , Estudos de Casos e Controles , Feminino , Humanos , Leiomioma/metabolismo , Pessoa de Meia-Idade , Estresse Oxidativo , Doenças Uterinas/metabolismo
7.
Genet Mol Res ; 16(1)2017 Jan 23.
Artigo em Inglês | MEDLINE | ID: mdl-28128407

RESUMO

Age-related macular degeneration (AMD) is the leading cause of blindness in developed countries. It is a complex disease with both genetic and environmental risk factors. To improve clinical management of this condition, it is important to develop risk assessment and prevention strategies for environmental influences, and establish a more effective treatment approach. The aim of the present study was to investigate age-related maculopathy susceptibility protein 2 (ARMS2) gene sequences among Turkish patients with exudative AMD. In addition to 39 advanced exudative AMD patients, 250 healthy individuals for whom exome sequencing data were available were included as a control group. Patients with a history of known environmental and systemic AMD risk factors were excluded. Genomic DNA was isolated from peripheral blood and analyzed using next-generation sequencing. All coding exons of the ARMS2 gene were assessed. Three different ARMS2 sequence variations (rs10490923, rs2736911, and rs10490924) were identified in both the patient and control group. Within the control group, two further ARMS2 gene variants (rs7088128 and rs36213074) were also detected. Logistic regression analysis revealed a relationship between the rs10490924 polymorphism and AMD in the Turkish population.


Assuntos
Sequenciamento de Nucleotídeos em Larga Escala , Degeneração Macular/genética , Proteínas/genética , Feminino , Predisposição Genética para Doença , Humanos , Masculino , Risco , Turquia
8.
Genet Mol Res ; 15(4)2016 Dec 19.
Artigo em Inglês | MEDLINE | ID: mdl-28002601

RESUMO

Age-related macular degeneration (AMD) is a leading cause of blindness in developed countries. The ARMS2 gene has been found to be associated with AMD. Currently, intravitreal ranibizumab (IVR) treatment is one of the widely used treatments for neovascular AMD. The aim of this study was to investigate the association between the genotype of ARMS2 rs10490924 polymorphism and IVR treatment responsiveness in patients with neovascular AMD. The study included 39 patients with advanced neovascular AMD (patient group) and 250 healthy individuals with exome sequencing data (control group). The patient group was divided into three subgroups: GG (N = 10), TG (N = 14), and TT (N = 15). Before IVR treatment, all patients had intraretinal or subretinal fluid or both. They received three monthly IVR-injection treatments. One month after the third injection, the patients were evaluated as either "responders" or "non-responders" based on the presence or absence of intraretinal or subretinal fluid or both. The patient subgroups TG and TT had an 8.56- and 39-fold higher risk of AMD, respectively, than patient subgroup GG had. The allele frequency was 0.537 and 0.10 in the patient and control groups, respectively. Within the patient subgroup TT, there was a significant difference between the "responders" and "non-responders" (P = 0.025). In conclusion, in neovascular AMD patients undergoing IVR treatment, TT genotype tended to be a better predictor of good short-term treatment response, compared to the GG and TG genotypes. Further studies using confirmed genetic biomarkers for individualized optimal treatments are required.


Assuntos
Fatores Imunológicos/administração & dosagem , Degeneração Macular/tratamento farmacológico , Polimorfismo Genético , Proteínas/genética , Ranibizumab/administração & dosagem , Feminino , Frequência do Gene , Marcadores Genéticos/genética , Humanos , Fatores Imunológicos/uso terapêutico , Injeções Intravítreas , Degeneração Macular/genética , Masculino , Medicina de Precisão , Ranibizumab/uso terapêutico , Análise de Sequência de DNA/métodos , Resultado do Tratamento
9.
Genet Mol Res ; 15(4)2016 Oct 24.
Artigo em Inglês | MEDLINE | ID: mdl-27813578

RESUMO

Stargardt disease (STGD) is an inherited genetic eye condition involving bilateral macular dystrophy leading to progressive central vision loss. It is the most common form of autosomal recessive juvenile macular dystrophy. In this study, ELOVL4 and PRPH2 genes were analyzed in 30 STGD probands for genetic variations using next-generation sequencing. In the patient group, two genetic variants in exon 6 of ELOVL4, and three in exon 3 of PRPH2 were detected. All sequence modifications in both ELOVL4 and PRPH2 were recorded, including those of a non-pathogenic nature. In the control group, four different genetic variations were detected in ELOVL4, and five in PRPH2. STGD patients of different ethnicities may carry distinct ELOVL4 and PRPH2 sequence variants. We believe that the genetic variations identified in this study may be related to STGD etiopathogenesis.


Assuntos
Proteínas do Olho/genética , Degeneração Macular/congênito , Proteínas de Membrana/genética , Periferinas/genética , Éxons/genética , Feminino , Variação Genética , Sequenciamento de Nucleotídeos em Larga Escala , Humanos , Degeneração Macular/genética , Degeneração Macular/patologia , Masculino , Mutação , Linhagem , Doença de Stargardt , Turquia
10.
Genet Mol Res ; 15(4)2016 Nov 03.
Artigo em Inglês | MEDLINE | ID: mdl-27819732

RESUMO

The aim of this study was to screen the visual system homeobox 1 (VSX1) gene in Turkish patients with keratoconus (KC). The patient group consisted of 44 patients who had undergone corneal transplant surgery before the age of 30, for advanced and rapidly progressive KC. The control group comprised 250 healthy individuals. We detected two missense mutations, D144N and D295Y, in exon 2 and exon 5 of the VSX1 gene, respectively, using next-generation sequencing analysis. The pathologic effects of the D144N and D295Y missense mutations on protein function were determined with bioinformatic analysis tools, SIFT, PolyPhen, and MutationTaster. Aspartic acid at the 144th position was more preserved among species than aspartic acid at the 295th position of the VSX1 protein. In the control group, five different genetic variations were detected, two of which (rs8123716 and rs12480307) were synonymous with variations in the patient group. Our results suggested that the D144N and D295Y mutations might have a role in the pathogenesis of KC disease.


Assuntos
Proteínas do Olho/genética , Proteínas de Homeodomínio/genética , Ceratocone/genética , Mutação/genética , Adulto , Sequência de Aminoácidos , Estudos de Casos e Controles , Biologia Computacional , Análise Mutacional de DNA , Feminino , Humanos , Masculino , Turquia , Adulto Jovem
11.
Eur Rev Med Pharmacol Sci ; 20(11): 2189-93, 2016 06.
Artigo em Inglês | MEDLINE | ID: mdl-27338041

RESUMO

OBJECTIVE: The aim of this study was to evaluate pregnancy-associated plasma protein A (PAPP-A) levels in patients with retinal vein occlusion (RVO), and to investigate its possible role as a predictive biomarker. PATIENTS AND METHODS: The study included 26 patients with RVO and 30 age- and gender-matched healthy subjects as controls. PAPP-A levels were measured using an enzyme-linked immunosorbent assay (ELISA) kit. The PAPP-A levels in patients with RVO were compared with those in the control group using the Mann-Whitney U test. RESULTS: The mean serum PAPP-A levels were 1.27 ± 0.46 mIU/L (mean ± standard deviation) in the RVO group and 1.14 ± 0.11 mIU/L in the control group. There was a significant difference in PAPP-A levels between RVO patients and healthy subjects (p = 0.03). Moreover, in ROC analysis comparing the RVO patients and controls, a cutoff value of 1.126 (AUC: 0.669), specificity of 63.3% and sensitivity of 76.9% were calculated for the RVO patients (p = 0.03). CONCLUSIONS: Our data seems to support the roles of both thrombosis and atherosclerosis in the development of RVO. It is possible that PAPP-A may be involved in the pathogenesis of venous thrombosis in the retina.


Assuntos
Proteína Plasmática A Associada à Gravidez/análise , Oclusão da Veia Retiniana/sangue , Proteínas Sanguíneas , Estudos de Casos e Controles , Ensaio de Imunoadsorção Enzimática , Feminino , Humanos , Gravidez , Trombose Venosa
12.
Andrologia ; 48(7): 787-92, 2016 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-26685713

RESUMO

Recent studies have shown that ED is an early symptom of atherosclerosis. Fetuin-A, a glycoprotein secreted by the liver, kidneys and choroid plexus, has been linked to systemic fibrosis and calcification in human and rat studies. Deficiency of this compound may play a role in atherosclerosis and cardiovascular disease progression. The aim of the study was to examine whether serum fetuin-A level is related to erectile function or severity of ED. Sixty ED patients without cardiovascular disease were assigned to one of the three groups (mild, moderate or severe ED) depending on ED severity. Twenty healthy volunteers were included as the control group. The International Index of Erectile Function-5 questionnaire was used to measure erection quality in all four groups. Mean age, body mass index, total testosterone, low- and high-density lipoprotein cholesterol, and triglyceride levels did not significantly differ between the three erectile dysfunction and control groups (P > 0.05). The group with severe ED had a significantly lower mean fetuin-A level than the mild ED and control groups. For both mild and moderate ED groups, the mean serum fetuin-A level was significantly lower in comparison with the control group (P < 0.001). Serum fetuin-A level may be used as a supplemental biochemical parameter in preliminary evaluation of ED.


Assuntos
Disfunção Erétil/sangue , Disfunção Erétil/diagnóstico , alfa-2-Glicoproteína-HS/análise , Adulto , Animais , Voluntários Saudáveis , Humanos , Masculino , Pessoa de Meia-Idade , Fatores de Risco , Inquéritos e Questionários
13.
Artif Cells Nanomed Biotechnol ; 42(6): 413-7, 2014 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-23885923

RESUMO

A new peroxidase biosensor was developed using cysteamine-palladium complex-modified gold electrode. The principle of the measurements is based on monitoring increase in the oxidation potential of palladium complex (at + 0.47 V vs Ag/AgCl) using amperometric detection. In the optimization studies of the biosensor, effects of enzyme amount, palladium complex amount, and duration of SAM formation on biosensor responses were investigated to optimize the bioactive layer. The biosensor has a fast response time of less than 10 s to hydrogen peroxide (H2O2), with a linear range of 5.0 × 10(- 6) to 150 × 10(- 6) M and a detection limit of 3.38 × 10(- 6) M.


Assuntos
Técnicas Biossensoriais , Complexos de Coordenação/química , Cisteamina/química , Enzimas Imobilizadas/química , Peroxidase/química , Eletrodos , Ouro/química , Humanos , Peróxido de Hidrogênio/química , Oxirredução
14.
Bratisl Lek Listy ; 114(11): 621-4, 2013.
Artigo em Inglês | MEDLINE | ID: mdl-24236429

RESUMO

AIMS: Whether ankaferd blood stopper (ABS) has a negative or positive effect on bone union during fracture healing is unknown. The purpose of this study was to evaluate the serum changes of oxidative stress markers, Tumor Necrosis Factor-α (TNF-α), Interleukin-1ß (IL-1ß), and Interleukin-10 (IL-10) during fracture healing process with or without ABS application to bone fracture. MATERIAL AND METHODS: Eight rats were used as a control group (1) that was not subject to fracture. The remaining 48 rats were divided into six groups, 8 rats in each. The femoral shaft fracture was produced by cutting with bone-scissors. One ml of ABS was applied on the fracture region in groups 3 (7th day), 5 (21st day), and 7 (45th day) or saline instead of ABS on the fracture regions in groups 2 (7th day), 4 (21st day), and 6 (45th day). Radiographs and above parameters were examined on post-fracture days 7, 21, and 45. RESULTS: Malondialdehyde and protein carbonyls were measured in high levels in the groups 2 and 4 with respect to control. Their levels did not change statistically in the experimental groups after ABS application. The values of TNF-α and IL-1ß were elevated on 7th post-fracture day according to control, but were lower (by 11.86 % and 44.48 %) in the group 3 treated with ABS comparing to group 2. Radiographic examination indicated a low callus formation on fracture union in the femoral fractures of groups 3 and 5 treated with ABS. CONCLUSION: The present findings may suggest that ABS application seems to be ineffective on fracture union in early fracture healing period, except for bleeding control (Tab. 2, Fig. 3, Ref. 26).


Assuntos
Fraturas do Fêmur/terapia , Consolidação da Fratura/efeitos dos fármacos , Interleucina-1beta/sangue , Extratos Vegetais/farmacologia , Fator de Necrose Tumoral alfa/sangue , Animais , Fraturas do Fêmur/diagnóstico por imagem , Interleucina-10/sangue , Masculino , Malondialdeído/sangue , Estresse Oxidativo , Carbonilação Proteica , Radiografia , Distribuição Aleatória , Ratos , Ratos Sprague-Dawley
15.
Bratisl Lek Listy ; 113(12): 698-701, 2012.
Artigo em Inglês | MEDLINE | ID: mdl-23173626

RESUMO

BACKGROUND: The present study aimed to explore the effect of melatonin administration on lipid peroxidation in various tissues of rats with streptozocin induced diabetes and subjected to an acute swimming exercise. METHODS: The study used 80 adult male rats, which were equally allocated to 8 groups: Group 1, general control; Group 2, melatonin-administered control; Group 3, melatonin-administered diabetic control; Group 4, swimming control; Group 5, melatonin-administered swimming; Group 6, melatonin-administered diabetic swimming; Group 7, diabetic swimming; Group 8, diabetic control. Diabetic rats were administered 3 mg/kg/day ip melatonin for 4 weeks. At the end of the study, the animals were decapitated to collect samples from liver, lung and spleen tissues, which were then analyzed to determine levels of liver MDA (nmol/gram/protein) and GSH (mg/g/protein). RESULTS: The highest MDA values in liver, lung and spleen tissues were obtained in the Group 7. The values in the Group 8 were lower than those in the Group 7, but higher than in all other groups. The Group 5 and 6 had the highest liver, lung and spleen GSH values. CONCLUSION: Results obtained from the study indicate that the increase in free radical production and the inhibition of antioxidant activity in diabetes and acute exercise are both prevented by melatonin administration (Tab. 2, Ref. 30).


Assuntos
Diabetes Mellitus Experimental/metabolismo , Peroxidação de Lipídeos/efeitos dos fármacos , Melatonina/farmacologia , Esforço Físico , Animais , Fígado/metabolismo , Pulmão/metabolismo , Masculino , Ratos , Ratos Sprague-Dawley , Baço/metabolismo , Natação
16.
Bratisl Lek Listy ; 113(4): 199-205, 2012.
Artigo em Inglês | MEDLINE | ID: mdl-22502748

RESUMO

OBJECTIVE: The present study aims to explore the effect of zinc supplementation on lipid peroxidation and lactate levels in rats having diabetes induced by streptozotocin and subjected to acute swimming exercise. METHOD: A total of 80 adult male rats of Sprague-Dawley type were equally allocated to 8 groups: Group 1, general control. Group 2, zinc-supplemented group. Group 3, zinc-supplemented, diabetic group. Group 4, swimming control group. Group 5, zinc-supplemented swimming group. Group 6, zinc-supplemented diabetic swimming group. Group 7, diabetic swimming group. Group 8, diabetic group. At the end of the 4-week study, blood samples were collected to determine MDA, GSH, GPx, SOD, lactate and zinc levels. RESULTS: The highest MDA values were found in group 7 and 8 (p<0.001). GSH values in groups 5 and 6 were higher (p<0.001). The highest GPx values were established in groups 2, 5 and 6 (p<0.001). SOD values were the highest in groups 5 and 6 (p<0.001) and lowest in groups 2, 3 and 8 (p<0.001). The highest plasma lactate levels were found in group 7 (p<0.001). The highest zinc levels were obtained in groups 1, 2 and 5 (p<0.001), and the lowest zinc levels were found in groups 7 and 8 (p<0.001). CONCLUSION: Results of the study reveal that zinc supplementation prevents the increase of free radical formation, suppression of antioxidant activity and muscle exhaustion, all of which result from diabetes and acute exercise. Zinc supplementation may contribute to health performance in diabetes and acute exercise (Tab. 2, Fig. 1 Ref. 47). Full Text in PDF www.elis.sk.


Assuntos
Diabetes Mellitus Experimental/metabolismo , Ácido Láctico/sangue , Peroxidação de Lipídeos/efeitos dos fármacos , Esforço Físico/fisiologia , Zinco/farmacologia , Animais , Masculino , Ratos , Ratos Sprague-Dawley , Natação
17.
Acta Crystallogr Sect E Struct Rep Online ; 68(Pt 2): o266, 2012 Feb 01.
Artigo em Inglês | MEDLINE | ID: mdl-22346910

RESUMO

The complete molecule of the title compound, C(28)H(38)O(2), is generated by a crystallographic centre of symmetry. The molecular conformation displays an intra-molecular C-H⋯π inter-action.

18.
Acta Crystallogr Sect E Struct Rep Online ; 67(Pt 6): o1478, 2011 Jun 01.
Artigo em Inglês | MEDLINE | ID: mdl-21754847

RESUMO

The mol-ecule of the title compound, C(22)H(26)O(2), exhibits C(i) mol-ecular symmetry with a crystallographic inversion centre at the mid-point of the central C-C bond. A kink in the mol-ecule is defined by the torsion angle of 66.7 (2)° about this central bond of the alkyl bridge.

19.
J Chem Phys ; 132(17): 174113, 2010 May 07.
Artigo em Inglês | MEDLINE | ID: mdl-20459162

RESUMO

In this work, the structure and activity relationship for CO and O(2) adsorption over Au(2) to Au(10) clusters was investigated using density functional theory (DFT) and artificial neural networks as a part of ongoing studies in the literature to understand CO oxidation over gold nanoparticles. The optimum structures for the anionic, neutral, and cationic clusters were determined first using DFT. The structural properties such as binding energy, highest occupied molecular orbital-lowest unoccupied molecular orbital gap, ionization potential, and electron affinity as well as the adsorption energies of CO and O(2) were calculated using the same method at various values of user defined descriptors such as the size and charge of the cluster, the presence or absence of unpaired electron, and the coordination number of the adsorption site. Then, artificial neural network models were constructed to establish the relationship between these descriptors and the structural properties, as well as between the structural properties and the adsorption energies. It was concluded that the neural network models can successfully predict the adsorption energies calculated using DFT. The statistically determined relative significances of user defined descriptors and the structural properties on the adsorption energies were also found to be in good agreement with the literature indicating that this approach may be used for the other catalytic systems as well.

20.
Transplant Proc ; 40(1): 47-9, 2008.
Artigo em Inglês | MEDLINE | ID: mdl-18261544

RESUMO

OBJECTIVES: Digital subtract angiography is the gold standard for anatomic assessment of renal vasculature for living renal donors. However, multidetector-row computerized tomography (MDCT) is less invasive than digital subtract angiography and provides information of kidney stones and other intra-abdominal organs. In this study, preoperative MDCT angiography results were compared with the peroperative findings to evaluate the accuracy of MDCT for the evaluation of renal anatomy. METHODS: From December 2002 to May 2007, all 60 consecutive living kidney donors were evaluated with MDCT angiography preoperatively. We reported the number and origin of renal arteries, presence of early branching arteries, and any intrinsic renal artery disease. Renal venous anatomy was evaluated for the presence of accessory, retroaortic, and circumaortic veins using venous phase axial images. The calyces and ureters were assessed with delayed topograms. The results of the MDCT angiography were compared with the peroperative findings. RESULTS: A total of 67 renal arteries were seen peroperatively in 60 renal units. Preoperative MDCT angiography detected 64 of them. The two arteries not detected by MDCT had diameters less than 3 mm. Anatomic variations were present in nine veins, five of which were detected by CT angiography. Sensitivity of MDCT angiography for arteries and veins was 95% and 93%, respectively. Positive predictive values were 100% for both arteries and veins. CONCLUSION: MDCT angiography offers a less invasive, rapid, and accurate preoperative investigation modality for vascular anatomy in living kidney donors. It also provides sufficient information about extrarenal anatomy important for donor surgery.


Assuntos
Rim , Doadores Vivos , Artéria Renal/anatomia & histologia , Circulação Renal , Tomografia Computadorizada por Raios X , Adulto , Feminino , Humanos , Imageamento Tridimensional , Masculino , Pessoa de Meia-Idade , Nefrectomia/métodos , Seleção de Pacientes , Cuidados Pré-Operatórios , Artéria Renal/diagnóstico por imagem , Estudos Retrospectivos , Coleta de Tecidos e Órgãos/métodos
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