scholarly journals Quantitative and Qualitative Structure Activity Relationship Study for Development of the Pet- Inhibitory Activity of 3-Nitro-2,4,6- Trihydroxy Benzamides

2021 ◽  
pp. 1-5
Author(s):  
Lazhar Bouchlaleg ◽  
◽  
Salah Belaidi ◽  
Keyword(s):  
D1 Protein ◽  
Photosynthetic Electron Transport ◽  
Theoretical Models ◽  
Biological Data ◽  
Structure Activity ◽  
Physicochemical Descriptors ◽  
Basic Characteristics ◽  
Leave One Out ◽  
Linear Regressions

The aim in this paper of these work present two components analyses quantitative and qualitative which consisted in the development and evaluation of the first component quantitative and structure activity relationships (QSAR) for the prediction In fact, various compounds inhibiting photosynthesis constitute the largest class of commercial herbicides. All of those inhibitors, including ureas, triazines, bis carbamates and phenols, interrupt photosynthetic electron transport (PET) by binding to quinine-binding protein (D1-protein). Various physicochemical descriptors were used in multiple linear regressions method (MLR) to develop the theoretical models, than using a cross-validation with leave-one-out method to optimize the model as well as possible to fit with the biological data, the most common approach used to study. The second quality of the compound compared with criteria for their power, these rules Lu Propose the four basic characteristics that Lipinski has identified.

scholarly journals Structure Activity Relationships, QSAR Modeling and Drug-Like Calculations of TP Inhibition of 1,3,4-Oxadiazoline-2-Thione Derivatives

2014 ◽  
Vol 37 ◽  
pp. 113-124 ◽  
Author(s):  
Zineb Almi ◽  
Salah Belaidi ◽  
Touhami Lanez ◽  
Noureddine Tchouar
Keyword(s):  
Predictive Power ◽  
Cross Validation ◽  
Molecular Descriptor ◽  
Qsar Model ◽  
Qsar Modeling ◽  
Qsar Studies ◽  
Structure Activity ◽  
Qsar Models ◽  
Leave One Out

QSAR studies have been performed on twenty-one molecules of 1,3,4-oxadiazoline-2-thiones. The compounds used are among the most thymidine phosphorylase (TP) inhibitors. A multiple linear regression (MLR) procedure was used to design the relationships between molecular descriptor and TP inhibition of the 1,3,4-oxadiazoline-2-thione derivatives. The predictivity of the model was estimated by cross-validation with the leave-one-out method. Our results suggest a QSAR model based of the following descriptors: logP, HE, Pol, MR, MV, and MW, qO1, SAG, for the TP inhibitory activity. To confirm the predictive power of the models, an external set of molecules was used. High correlation between experimental and predicted activity values was observed, indicating the validation and the good quality of the derived QSAR models.

Guaranteed values – the basis of the analysis of the quality of individual products

2019 ◽  
pp. 20-33
Author(s):  
D. N. Kalacheva
Keyword(s):  
Frequency Distribution ◽  
Distribution Law ◽  
Basic Characteristics ◽  
Definition Of

Herein, the main features and rules of using guaranteed values when analyzing the quality of rocket - space equipment products are considered. The definition of the guaranteed value and the form of its presentation is given. It is indicated that guaranteed value is distributed and is characterized by the frequency distribution law. The main methods of representation and conversion of guaranteed values are statistical. Examples of determining the basic characteristics of guaranteed values are given.

Women's healthcare providers: Work factors, personality, and stress

2019 ◽  
Vol 47 (7) ◽  
pp. 1-11
Author(s):  
Victoria A. Farrow ◽  
Anthony Ahrens ◽  
Kathleen C. Gunthert ◽  
Jay Schulkin
Keyword(s):  
Cultural Differences ◽  
Perceived Stress ◽  
Healthcare Providers ◽  
Descriptive Statistics ◽  
Related Factors ◽  
Work Related ◽  
Work Factors ◽  
Physician Stress ◽  
Linear Regressions

We assessed neuroticism, perceived stress, and work-related factors among obstetrician-gynecologists (ob-gyns), and examined the relationships between these variables. Surveys were sent to 500 physician members of the American College of Obstetricians and Gynecologists and we received 287 (57.4%) completed responses. Analyses included descriptive statistics and linear regressions. Ob-gyns reported high levels of perceived stress. After controlling for neuroticism, variables that significantly predicted stress levels included average hours worked, perception of working too many hours, colleague support for work–home balance, isolation due to gender/cultural differences, and perception of workplace control. Because these work-related factors are linked to stress even when controlling for neuroticism, administrators and physicians may consider whether any of these factors are modifiable to mitigate physician stress. This in turn may affect physicians' own health and the quality of care patients receive.

Cancer and Cancer Treatment-Related Cognitive Impairment

2019 ◽  
pp. 60-83
Author(s):  
James C.  Root ◽  
Elizabeth Ryan ◽  
Tim A. Ahles
Keyword(s):  
Cancer Survivors ◽  
Cancer Treatment ◽  
Clinical Presentation ◽  
Functional Neuroimaging ◽  
Theoretical Models ◽  
Future Research ◽  
Cognitive Changes ◽  
Central Nervous System Cancer ◽  
Pharmacologic Treatments

As the population of cancer survivors has grown into the millions, there is increasing emphasis on understanding how late effects of treatment impact survivors’ ability return to work/school, ability to function and live independently, and overall quality of life. Cognitive changes are one of the most feared problems among cancer survivors. This chapter describes the growing literature examining cognitive changes associated with non-central nervous system cancer and cancer treatment. Typical elements of cancer treatment are discussed, followed by a description of clinical presentation, self-reported and objectively assessed cognitive findings, and results of structural and functional neuroimaging research. Genetic and other risk factors for cognitive decline following treatment are identified and discussed, together with biomarkers and animal models of treatment-related effects. This is followed by a discussion of behavioral and pharmacologic treatments. Finally, challenges and recommendations for future research are provided to help guide subsequent research and theoretical models.

Pharmacologic activities of 5, 6-Diaryl/heteroaryl-3-substituted-1, 2, 4-triazines as a privileged scaffold in drug development

2021 ◽  
Vol 21 ◽  
Author(s):  
Zahra Zakeri Khatir ◽  
Hamid Irannejad
Keyword(s):  
Biological Data ◽  
Pharmacological Activities ◽  
Drug Candidates ◽  
Structure Activity ◽  
Wide Range ◽  
Privileged Structure ◽  
Triazine Derivatives ◽  
Privileged Scaffold ◽  
Substituted 1 ◽  
Anti Hiv

: 1, 2, 4-Triazine derivatives have received much attention due to their multifunctional nature, especially in diverse pharmacological properties as well as a key fragment in many drug candidates. Introduction of a vicinal 5, 6-diaryl/heteroaryl moiety on the 1, 2, 4-triazine ring has attracted plentiful attention in the field of medicinal chemistry. 5, 6-Diaryl/heteroaryl-3-substituted-1, 2, 4-triazine is as a prominent scaffold in many drug candidates which has shown a wide range of pharmacological activities such as anti-diabetic, antifungal, anti-inflammatory, anticancer, anti-HIV, neuroprotective, anticonvulsant, anti- Alzheimer, anti-Parkinson and antioxidant. In this review, we have discussed synthesis, various pharmacological activities of 5, 6-diaryl/heteroaryl-3-substituted-1, 2, 4-triazines, their structure-activity relationship (SAR), pharmacophoric elements and their mechanism of action reported in the published articles during 2000-2019. Evaluation of compounds by PAINS filtering tool was accomplished and showed that this versatile structure could be considered as a privileged structure. Compilation of the biological data confirmed that the position 3 of the 1,2,4-triazine is a key location to determine the affinity and selectivity of the 5,6-diaryl/heteroaryl-3-substituted-1, 2, 4-triazines towards different biologic targets. Specific geometrical and thermodynamic characters of this motif have prompted it as a frequent hitter.

scholarly journals What is the knowledge of tubercular patients about risk factors contributing to development of their disease

2006 ◽  
Vol 134 (Suppl. 2) ◽  
pp. 122-127 ◽  
Author(s):  
Miroslav Ilic
Keyword(s):  
Diabetes Mellitus ◽  
Risk Factors ◽  
Main Risk Factor ◽  
Active Pulmonary Tuberculosis ◽  
Anonymous Questionnaire ◽  
Number Of Patients ◽  
Significant Difference ◽  
Level Of Knowledge ◽  
Basic Characteristics

INTRODUCTION. Present knowledge of population on basic characteristics of tuberculosis is a significant issue of prevention of tuberculosis. OBJECTIVE. The objective of our study was to determine the level of knowledge on risk factors of tuberculosis among tubercular patients. METHOD. A total of 115 new patients with the active pulmonary tuberculosis were interviewed by means of anonymous questionnaire, who has been treated at the Institute of Pulmonary Diseases, Sremska Kamenica during six-month period (October 2003-March 2004). RESULTS. The patients fulfilled the questionnaire; 37.6 % had no or finished only elementary school, and 58.6 % considered genetics the main risk factor of tuberculosis. Every second patient believed that he could not catch tuberculosis if he suffered from diabetes mellitus or any kind of tumor. 8.7 % of patients who suffered from diabetes mellitus had been informed by their physicians that could catch tuberculosis one day. Every third patient did not possess sewage system and nearly 20% lived in moist flats. Around 85% had no regular salaries or these were significantly under the average Serbian income per capita in this period (12820 dinars-CSD). Leading risk factors that can contribute to development of tuberculosis were as follows: irregular nutrition (91.4 %), smoking (74.2 %), alcohol consumption (65.5%) and associated diseases (diabetes mellitus, tumors). Only 15% of them believed that all these risk factors (smoking, alcohol, irregular diet) could participate together in development of tuberculosis, and not as individual factors. Analyzing the patients? knowledge on risk factors of tuberculosis, in relation to their educational level and alcohol and cigarettes consumption, there was no significant difference (p<0.05). Nevertheless, analyzing the quality of life in patients? houses, in relation to salary and bad habits (alcohol, cigarettes) as risk factors of tuberculosis, significant statistical difference was found (p>0.05). CONCLUSION. Intensive and permanent education of population is necessary primarily considering the knowledge on tuberculosis that would be the basis of reducing the number of patients and leading to possible eradication of this disease.

scholarly journals Assessment of the Water Quality of Jatiluhur Reservoir, the Downstream of Citarum Cascade River, Using Selected Physico-Chemical Parameters

2014 ◽  
Vol 10 (1) ◽  
Author(s):  
Lieza Corsita ◽  
Arwin Arwin ◽  
Barti Setiani Muntalif ◽  
Indah Rachmatiah Salami
Keyword(s):  
Water Quality ◽  
Dissolved Oxygen ◽  
Water Level ◽  
Hydrological Regime ◽  
Quality Parameters ◽  
Biological Data ◽  
Chemical Parameters ◽  
Stream Flows ◽  
Physico Chemical

Physico-chemistry and biological data were investigated  from  October 2010 until April 2011 of Jatiluhur reservoir. A total of six sampling stations were selected for this study. The discharge and hidrological data were obtained from Perum Jasa Tirta II Jatiluhur. The results showed that the hydrological regime in the reservoir Jatiluhur was affected by global phenomenon La Nina events in 2010 and early in 2011. Stream flows were determined during sampling to range from 78  to 482.5 m3/s. The water quality findings were as follows: pH (6.93-8.81), temperature (26.37-30.6°C), dissolved oxygen (0.733-5.2 mg/l), conductivity (2.45-233µmhos/cm), COD (7.36-96.9 mg/l), turbidity (4.063-65.6 NTU), total phosphate (0.002-0.324 mg/l), total nitrogen (0.99-5.96 mg/l), chlorophyl (2.237-43.37 mg/m3), visibility (30-160 cm). The eutrophication was pronounced at Jatiluhur reservoir. Canonical Correspendence Analysis found that some water quality parameters correlated positively with the discharge and the water level.

scholarly journals MOLECULAR DESCRIPTORS FAMILY ON STRUCTURE-ACTIVITY RELATIONSHIPS: MODELING HERBICIDAL ACTIVITY OF SUBSTITUTED TRIAZINES CLASS

1970 ◽  
Vol 62 ◽  
Author(s):  
S. D. Bolboacă ◽  
L. Jäntschi
Keyword(s):  
Herbicidal Activity ◽  
Original Structure ◽  
Test Analysis ◽  
Prediction Ability ◽  
Model Stability ◽  
Structure Activity Relationships ◽  
Structure Activity ◽  
Partial Charges ◽  
Sar Model ◽  
Leave One Out

Herbicidal activity of a set of thirty 1,3,5-substituted-triazines were studied using an original structure-activity relationships approach. The cross-validation leave-one-out correlation score, the training vs. test analysis, and the model stability sustained the prediction ability of the best performing multi-varied model with four variables. The comparison with the previous reported model was performed by the use of correlated correlation analysis. The obtained multi-varied MDF-SAR model with four-descriptors shows that the herbicidal activity of 1,3,5-substituted-triazines is of geometrical and topological nature and is strongly depended on partial charges and number of directly bonded hydrogen’s.

scholarly journals Pravni položaj poštenog i nepoštenog posjednika u odnosu na vlasnika stvari

2017 ◽  
Vol 38 (1) ◽  
pp. 527-543
Author(s):  
Jadranko Jug
Keyword(s):  
Supreme Court ◽  
Case Law ◽  
Basic Method ◽  
Unjust Enrichment ◽  
The Supreme Court ◽  
Legal Position ◽  
The Republic ◽  
Basic Characteristics ◽  
The Right

This paper deals with the problems related to the legal position of honest and dishonest possessors in relation to the owner of things, that is, it analyses the rights belonging to the possessors of things and the demands that possessors may require from the owners of things to whom the possessors must submit those things. Also, in contrast, the rights and requirements are analysed of the owners of things in relation to honest and dishonest possessors. In practice, a dilemma arises in defi ning the essential and benefi cial expenditure incurred by honest possessors, what the presumptions are for and until when the right of retention may be exercised for the sake of remuneration of that expenditure, when the statute of limitations expires on that claim, and the signifi cance of the provisions of the Civil Obligations Act in relation to unjust enrichment, management without mandate and the right of retention, and which provisions regulate these or similar issues. The answers to some of these dilemmas have been provided in case law, and therefore the basic method used in the paper was analysis and research of case law, especially decisions by the Supreme Court of the Republic of Croatia. The introduction to the paper provides the basic characteristics of the concept of possession and possession of things, and the type and quality of possession, to provide a basis for the subsequent analysis of the legal position of the possessor of a thing in relation to the owner of that thing.

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