Please login first

List of accepted submissions

 
 
Show results per page
Find papers
 
  • Open access
  • 0 Reads
Breast Cancer Screening Using Artificial Intelligence Techniques: Enhancing Biochemical Insights and Diagnostic Accuracy

Breast cancer, the most prevalent cancer in women worldwide, demands effective screening for early identification and improved treatment outcomes. Recent advances in artificial intelligence (AI) have resulted in dramatic developments in a variety of fields, including healthcare. In this review paper, we look at how AI approaches can be used in breast cancer screening to improve diagnostic accuracy and provide deeper molecular insights. We dig into the complex terrain of breast cancer treatment, which has transformed as a result of the discovery of prognostic and predictive biomarkers, allowing for personalized therapeutic methods based on molecular subgroups. We emphasize the importance of AI-driven approaches in optimizing screening procedures and providing quick and exact findings.

The potential of AI to revolutionize breast cancer screening is highlighted, including its applications in diagnostic imaging, lesion identification, and standardized imaging data interpretation. The analysis highlights AI's critical role in tackling issues associated with the integration of new technologies, providing solutions for worldwide standardization in cancer detection.

  • Open access
  • 0 Reads
Synthesis and evaluation of thiomethyl substituted (4Z)-4-[(pyrazol-4-yl)methylene]pyrazolone as an optical chemosensor

Developing colorimetric devices for detecting chemical species is essential in many fields; nevertheless, developing effective chemosensors for many heavy and transition metal ions remains an important issue. As a result, in recent years, the use of colorimetric sensors for the selective and sensitive detection of metal ions has grown in popularity. Pyrazolones and its derivatives are heterocyclic compounds that have attracted interest due to their biological and pharmacological features. As a result, they have been used in various areas, including agriculture, medicine, organic synthesis, and analytical chemistry. However, the potential for chemosensing has yet to receive much attention. In this study, thiomethyl substituted (4Z)-4-[(pyrazol-4-yl)methylene]pyrazolone was synthesized, and its ability to act as an optical chemosensor for several metals was evaluated. According to preliminary results, this molecule could be an optical chemosensor to detect Fe3+, Sn2+, and Al3+.

  • Open access
  • 0 Reads
Synthesis and Characterization of new 3-cyano-2‐Pyridone derivatives as Fluorescent Scaffolds

Heterocyclic compounds represent the largest and most diverse group of organic compounds and function in most scientific fields such as medicinal chemistry, biochemistry, and other sciences. Nitrogen heterocycles constitute more than half of organic compounds, making them important in scientific research.

2-pyridone is one of the most widely used nitrogenous heterocyclic derivatives in various fields because of their structural properties and biological and therapeutic activities, for this reason, their synthesis has become the main concern of organic chemists in recent years.

In this context, we are interested in the synthesis of N-alkyl 3-cyano-2-pyridones and their derivatives. This work describes a new synthesis to make these structures accessible simply and effectively in gentle and environmentally friendly conditions with a simple study of their fluorescent application.

  • Open access
  • 0 Reads
The synthesis of various 2-Imino-2H-chromene-3-carbonitrile derivatives

Three-component and stepwise reactions of salicylic aldehydes (salicylic, 5-bromsalicylic), malononitrile and N-nucleophiles (2-aminopyridines, N-cyanoguanidine) were investigated. 2-Imino-2H-chromene-3-carbonitrile (1) derivatives of various structures are isolated under various conditions.

Reactions of equimolar amounts of salicylic aldehydes, malononitrile and 2-aminopicoline under ultrasound activation conditions in alcohol or aqueous–alcoholic medium in the presence of potassium carbonate or without catalyst led to the formation of 2-iminochromene (1) dimers - 2-amino-6-R-4-((6-R-3-cyano-2H-chromen-2-ylidene)amino)-4H-chromene-3-carbonitriles (2). The subject dimers have been synthesized previously via stirring in methanol and water, in the presence of triethylamine at room temperature for 6-20 h. We observed the formation of these dimers under catalyst-free conditions in higher yield within a shorter reaction time.

Reactions of 2-(2-amino-3-cyano-4H-chromen-4-yl)malononitriles (3) and N-nucleophiles in various solvents under thermal and ultrasound activation conditions did not lead to the expected (pyridin-2-yl)chromeno[3,4-c]pyridinecarbonitriles. However, 2-(4-amino-1-cyano-5-imino-1,3,5,10b-tetrahydro-2H-chromeno[3,4-c]pyridin-2-ylidene)malononitriles (4) were obtained. The novel 2-(4-amino-9-R-1-cyano-5-imino-3,5-dihydro-2H-chromeno[3,4-c]pyridin-2-ylidene)malononitriles (5) were obtained by increasing the reaction time with 2-(2-amino-6-R-3-cyano-4H-chromen-4-yl)malononitriles (3). The structures of the synthesized compounds were established by spectroscopic data (IR, NMR).

The literature describes that the domino-reactions of salicylic aldehydes with one, two, three molecules of malononitrile led to the formation of 2-iminochromene (1) derivatives depending on reaction conditions. However, the authors exclude the formation of dimers during multicomponent reactions of salicylic aldehydes with molecules of malononitrile.

Thus, the isolation of the series of compounds (4), (5), suggests that dimerization and partial hydrolysis reactions of starting nitriles (1) and (3) are more possible to occur, than their interaction with N-nucleophiles.

  • Open access
  • 0 Reads
Semi-synthesis of imidazo-5α-hydroxyvouacapane from Caesalpinia pulcherrima via a Groebke−Blackburn−Bienaymé reaction

A semi-synthetic strategy and operationally simple to obtain a new heterocyclic system imidazo-5α-hydroxyvouacapane in two-step reactions was developed. The first reaction step is a Vilsmeier-Haack formylation at the furan ring of the 5α-hydroxyvouacapane isolated from Caesalpinia pulcherrima stems to obtain the 5α-hidroxyvouacapane-aldehyde in 33% yield. The second reaction step is a Groebke−Blackburn−Bienaymé reaction to synthesize the imidazo-5α-hydroxyvouacapane by using 2-aminopyridine and tert-buthyl isocyanide in 75% yield. This work contributes significantly to semi-synthesis through multicomponent reactions, an area with limited literature coverage.

  • Open access
  • 0 Reads
Insights on the interaction between kefiran and whey proteins through computational analyses

Kefiran is an exopolysaccharide (EPS) produced by kefir granules, a microbial consortium formed by yeasts, acetic, and lactic bacteria, which is used in the industry as an emulsifier, stabilizer, thickening, and gelling agent. It also presents antioxidant, antimicrobial, and even hypotensive properties. Additionally, its biofilms have been developed to protect food; these are formed by the interaction of kefiran with whey proteins. The chemical structure of one subunit of kefiran has been reported to be formed by 6 molecules of D-glucose and D-galactose in equimolar quantities. Molecular weight of this polymer could be up to 107 Da, that is 10,000 subunits. However, it is not known how the overall structure of EPS folds or how whey proteins participate in its folding. Therefore, the aim of the present work was to elucidate the way in which kefiran folds and its interaction with the two main whey proteins: α-lactalbumin and β-lactoglobulin, through computational analyses. Results demonstrated that kefiran folds in a spiral shape, forming a linear cylinder. Likewise, it was observed that whey proteins bind on the surface of the cylinder mainly through van der Waals-type interactions. Therefore, the presence of proteins on the surface will contribute to the intermolecular interaction between kefiran cylinders, that help form a larger and complex scaffold.

  • Open access
  • 0 Reads
Synthesis and complexing ability of a new type of molecular clips based on diaza-18-crown-6 and diamino-dibenzo-18-crown-6 with pendant p-tert-butylcalix[4]arenes.

A convenient method for obtaining a new type of molecular clips based on diazacrown or diamino-dibenzocrown ethers with two calixarene molecules attached to a central fragment using an amide bonds has been developed. The synthesis and complexing properties of two representatives of this series - N,N'-bis(p-tert-butylcalix[4]arene-methoxycarbonyl)diaza-18-crown-6 (1) and N,N'-bis(p-tert-butylcalix[4]arene-methoxycarbonyl)-diamino-dibenzo-18-crown-6 (2) were demonstrated in this work. The complexing properties of the obtained compounds were evaluated through spectrophotometric titration method. A clip based on diaza-18-crown-6 forms 1:1 complexes with sodium, potassium and cesium cations (lgKCs<3) in the alkali metal series. At the same time, a clip 1 demonstrates exceptional selectivity toward barium cation in the alkaline earth metal series. The study of complex formation processes involving transition metal cations indicates that clip 1 forms the complexes 1:1 with cobalt, cadmium and lead cations, but with copper and iron this compound interacts with formation of 2:1 (L:M) complexes. A different behavior is typical for clip 2 based on diamido-dibenzo-18. With sodium cation 2 forms complexes 1:2 (L:M), the complex with the cesium cation is characterized by a high lgK value (>7), in the series of alkaline earth metals the formation of mononuclear complexes with relatively high stability constants (lgK 3.88-4.94) is observed for barium, strontium and calcium cations. On the contrary, clip 2 forms with the magnesium cations a binuclear complex with lgK12 5.75. The same compound in the series of transition metals interacts only with cations of copper, iron and cadmium to form 1:1 complexes with low values of stability constants.

  • Open access
  • 0 Reads
Synthesis of mixed heterocycles from terephthalic acid

The mixed heterocycles of the type Triazole, Thiadiazole, Oxazoles are very interesting chemical compounds in scientific research because of their potential of application in different fields, for this reason their synthesis has become a very important subject.

Our work aims to synthesize a new series of mixed heterocycles from terephthalic acid, which can be easily converted to monoalkyl terephthalate with good yields, via a two-step procedure. Treatment of monoalkyl terephthalate with SOCl2 provides methyl terephthalaoyl chloride, which reacts with thiosemicarbazide to give methyl 4-(2-carbamothioylhydrazine-1-carbonyl)benzoate, which is then used to synthesize the 1,2,4-triazole and 1,3,4-thiadiazole heterocycles.

  • Open access
  • 0 Reads
Regioselective Synthesis of Spiro-oxindoles by Ruthenium Catalyzed Metathesis Reaction

Oxindoles are an important structural motifs found in various natural products and medicinal compounds. The spirocyclo-oxindole framework is the core structure of many pharmacological agents and biologically active molecules. Several functionalized spirocycloalkyloxindoles are also used as an active intermediate for the preparation of complex molecules of biological interest. This core moiety is the basic skeleton of various natural alkaloids including coerulescine, horsfiline, welwitindolinone A, spirotryprostatin A, elacomine, alstonisine, surugatoxin, etc. Due to the remarkable biological activity of spiro-oxindoles, significant effort has been paid towards the synthesis of substituted spirooxindole derivatives. On the other hand; ring-closing metathesis (RCM) reactions have been widely used as a synthetic tool for the construction of a great variety of carbo- and heterocyclic systems.

In this paper, the synthesis of 3/-spiro pentacyclo-oxindole derivatives by the ring-closing metathesis of 3,3/-diallyl oxindoles has been reported. The requisite starting materials 3,3/-diallyl oxindoles were prepared by the simple alkylation of oxindoles with allyl bromide in the presence of NaH at room temperature. The ring-closing metathesis reaction of 3,3/-diallyl oxindole proceeds with 2 mol% of Grubb’s catalyst-I in toluene at room temperature. The desired ring-closing products were obtained in good to excellent yields from the substituted 3,3/-diallyl oxindoles under standard reaction conditions.

  • Open access
  • 0 Reads
Synthesis and reactivity of 2-acetylthiophenes derivatives

Thiophene is a five membered sulfur containing hetero aromatic ring. Its presence in compounds of therapeutic interest is remarkable, leading to various research to develop strategies to synthesize new biologically active thiophene analogues. Among the biological activities described in litterature: anti-inflammatory, anti-tumor, anti-Alzheimer, antiviral, ...etc. A series of thiophene compounds can be synthesized through various routes with pharmacological activities.

Vilsmeier-Haack is a great reagent known by its multiple uses in organic chemistry. This reagent is widely used for chloroformytation of ketones giving β-chloroacroleïnes ; scaffolds to prepare 5-aryl-2-acetylthiophenes derivatives ; the ketone fonction in position 2 offers various interesting reactions.

Our team aims to develop and functionalize heterocyclic compounds with promising biological and pharmacological activities including some new concept of green chemistry; as a part of our research, different derivatives of 5-aryl-2-acetylthiophenes were achieved in good yields that are used then to prepare new compounds.

Top