Electronically Tunable Cyanoethynylethenes and Tetracyanobuta-1, 3-dienes Based Push–pull Organic Chromophores for Enhanced Nonlinear Optical Activity: A DFT Perspective

Cardiovascular Disease (CVD) is one of the most prevalent diseases in the world, comprising a variety of disorders such as hypertension, heart attacks, Peripheral Vascular Disease (PVD), dyslipidemias, strokes, coronary heart disease, and cardiomyopathies. The World Health Organization (WHO) predicts that 22.2 million people will die from CVD in 2030. Conventional treatments for CVDs are often quite expensive and also have several side effects. This potentiates the use of medicinal plants, which are still a viable alternative therapy for a number of diseases, including CVD. Natural products' cardio-protective effects result from their anti-oxidative, anti-hypercholesterolemia, anti-ischemic, and platelet aggregation-inhibiting properties. The conventional therapies used to treat CVD have the potential to be explored in light of the recent increase in the popularity of natural goods and alternative medicine. Some natural products with potential in the management of cardiovascular diseases such as Allium sativum L., Ginkgo biloba, Cinchona ledgeriana, Ginseng, Commiphora mukul, Digitalis lanata, Digitalis purpurea L., Murrayakoenigii, Glycyrrhiza glabra, Polygonum cuspidatum, Fenugreek, Capsicum annuum, etc. are discussed in this article.

The Potential of Natural Products in the Management of Cardiovascular Disease.

The direct synthesis of triazole 2-oxides has posed a challenge in the field of N-heterocyclic chemistry. A novel copper(I)-catalyzed nitrosylation/annulation cascade of enaminones provides a straightforward route to 1H-1,2,3-triazole 2-oxides by forming new C-N, N=N, and N-N bonds using noncorrosive tert-butyl nitrite (TBN) as both the N and NO sources. The synthetic protocol features easily accessible starting materials, wide substrate scopes, and good tolerance toward various functional groups while avoiding use of explosive azides.

Copper(I)-Catalyzed Nitrosylation/Annulation Cascade of Enaminones with tert-Butyl Nitrite: Access to 1H-1,2,3-Triazole 2-Oxides.

Scientists are continuously trying to discover new approaches to develop materials with exceptional nonlinear optical responses. Compared with the single-ring Janus face compound (F6C6H6), the three-ring Janus face compound (C13H10F12) has a larger surface, where superalkali metals can be doped quite easily. Herein, the nonlinear optical response of Janus molecule dodecafluorophenylene (DDFP)-based superalkalides has been explored. The stability of the newly designed complexes is evident in the negative interaction energy values (ranging from −42.17 to −60.91 kcal/mol). The superalkalide nature of the complexes is corroborated through natural bond orbital (NBO) analysis, which shows negative charges on M3. This feature is further confirmed through frontier molecular orbital (FMO) analyses showing the highest occupied molecular orbital (HOMO) density over superalkalis (M3). The analysis also reveals that the H–L gap is reduced from 9.57 eV (for bare DDFP) to 2.11 eV for doped systems by adsorption of dopants on the DDFP surface. Moreover, the NLO response of the studied complexes is evaluated via static hyperpolarizabilities. The maximum value of first hyperpolarizability (βo) among all of the designed compounds is for K3-DDFP-K3 (7.80 × 104 au) at M06-2X/6-31+G(d,p) level of theory. The βo is also rationalized through a two-level model. Furthermore, for βvec, the projection of hyperpolarizability on the dipole moment is calculated. The comparable results of βvec and βo indicate that the charge transfer in the complexes is parallel to the molecular dipole moments. These compounds, besides providing a new entry into excess-electron compounds, will also pave the way for the design and synthesis of further novel NLO materials.

Theoretical Study of Dodecafluorophenylene-Based Superalkalides with Significantly High NLO Response

The preservation of scarce rare earth metals, such as palladium, rhodium, iridium, and others, poses a significant challenge for humanity due to their limited availability. These rare earth metals might be replaced by earth‐abundant 3d‐transition metals such as cobalt, manganese, iron, nickel, copper, etc. Isoquinolines have acquired an important position in synthetic organic chemistry as well as medicinal chemistry. They manifest in a diverse range of natural and synthetic molecules, serving as pivotal synthons for the synthesis of numerous bioactive compounds with notable medicinal significance. Numerous reports on the synthesis of isoquinoline derivatives via transition metal catalysis have been published worldwide. In this review, we summarize recent approaches for synthesizing various isoquinoline derivatives using 3d‐transition metal catalysts since 2020. The review has been divided into different 3d‐transition metal‐based catalysis. We expect that this review will bring a better overview of the present status of the significant progress made in the 3d‐transition metal‐based synthesis of isoquinolines and persuade more advancements and research in this area in the near future.

Recent Advances in the 3d‐Transition‐Metal‐Catalyzed Synthesis of Isoquinolines and its Derivatives

Organic compound-based nonlinear optical (NLO) materials have sparked a lot of attention due to their multitude of applications and shorter optical response times than those of inorganic NLO materials. In the present investigation, we designed exo-exo-tetracyclo[6.2.1.13,6.02,7]dodecane (TCD) derivatives, which were obtained by replacing H atoms of methylene bridge carbon with alkali metals (Li, Na, and K). It was observed that upon the substitution of alkali metals at bridging CH2 carbon, absorption within the visible region occurred. Moving from 1 to 7 derivatives, the maximum absorption wavelength of the complexes exhibited a red shift. The designed molecules showed a high degree of intramolecular charge transfer (ICT) and excess electrons in nature, which were responsible for rapid optical response time and significant large molecular (hyper)polarizability. Calculated trends also inferred that the crucial transition energy decreased in order that also played a key role in the higher nonlinear optical response. Furthermore, to examine the effect of the structure/property relationship on the nonlinear optical properties of these investigated compounds (1–7), we calculated the density of state (DOS), transition density matrix (TDM), and frontier molecular orbitals (FMOs). The largest first static hyperpolarizability (βtot) of TCD derivative 7 was 72059 au, which was 43 times greater than that of the prototype p-nitroaniline (βtot = 1675 au).

Designing Excess Electron Compounds by Substituting Alkali Metals to a Small and Versatile Tetracyclic Framework: A Theoretical Perspective

Enhance photoluminescence properties of Ca-Eu:Y2O3@SiO2 core-shell nanomaterial for the advanced forensic and LEDs applications.

Cardiovascular diseases involve abnormalities of the heart and blood vessels, such as coronary heart disease, hypertension, and cerebrovascular disease, and are the main cause of the increase in mortality rate in the world. Herbal plants tend to be very useful to prevent cardiovascular disease. The phytoconstituents of herbal medicinal plants like tannins, alkaloids, saponins, flavonoids, and glycosides that have the ability to prevent cardiovascular diseases. Examples such as Nerium oleander, Amaranthus viridis, Ginkgo biloba, Daucus carota, Gingerol, Tinospora cordifolia etc. Many studies investigated the cardioprotective effect of these natural products against experimentally-induced myocardial damage, and their results revealed that their potential phytochemicals exhibited significant antioxidant, anti-apoptotic, anti-inflammatory, anti-atherosclerotic activities. The review highlights the promising mechanisms and probable applications of various herbal plants, and their phytochemicals in the prevention and treatment of cardiovascular diseases. The cardioprotective plants contain a wide- variety of bioactive compound involve with diosgenin, isoflavones, sulforaphane, carotinized, catechin and quercetin are increasing the cardio protection and decreases the chances of cardiac abnormalities. KEYWORDS: Cardiovascular diseases, herbal products, phytochemicals, cardioprotective plant, Trichopus zeylanicus, cardiotoxicity

/pdf/a-review-article-on-current-pharmacological-status-of-35p0i7a8.pdf

A review article on current pharmacological status of cardioprotective plant

The compound 4-amino-3-methyl-1H-1,2,4-triazole-5-thioneC3H6N4S[LH],crystallizes in the monoclinic space group P21/C, with cell parameter a=8.872(4)A0,b=9.826(4)A0,c=6.548(3)A0,V=570.9(4)A03 and Z=4.The structure was solved by direct methods using SAELXS-97 and refined using SAELXS-97.The final residual factor is R1=0.0369 for 1004 reflections and 83 parameters. The complexes of the ligand are synthesized in their molar ratio 1:3. These complexes have been characterized by elemental analyses, molar conductance and spectroscopic stydies. The antibacterial activity of ligand and their metal complexes against various fungi has been investigated. 

/pdf/synthesis-characterizations-crystal-structure-and-vitro-22x84488.pdf

Synthesis, Characterizations, crystal structure, and Vitro Antifungal Activity of 4-amino-3-methyl-1H-1,2,4-triazole-5-thione and their metal complexes

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