Biosynthesis of Iron Oxide Nanoparticles Using Leaf Extract of Ruellia tuberosa: Mechanical and Dynamic Mechanical Behaviour Kevlar-Based Hybrid Epoxy Composites.

One of the more enticing, ecologically responsible, as well as safe and sustainable methodologies is eco-friendly nanomaterial synthesis. Vegetation materials will be used as reductants instead of toxic substances for synthesising nanoparticles. The current study used Ruellia tuberosa (RT) leaf extract digest to synthesise FeO nanomaterials, which were then characterised using XRD. Following that, microbially produced FeO molecules were mixed with a Kevlar-based polymeric matrix to study the blended consequences. To examine the interbreeding, the current experimental analyses were performed, including both static and dynamic mechanical characteristics. The addition of FeO nanofillers improved the elastic modulus, tensile strength, and storage modulus of the nanocomposite. Impact force uptake has been raised to a certain extent by the addition of nanoparticles. The findings of this research show that incorporating FeO nanofillers into Kevlar fabrics is a promising technique for increasing the mechanical characteristics of hybrid laminated composites. As per DMA evaluation, the sample without nanomaterials had a more volcanic lava response, which is a useful thing for body systems for missile use. Another critical aspect of a nanoparticles-filled nanocomposite that must be addressed is the relatively uniform scattering of padding as well as the development of interfacial adhesion in such a combination. The presence of FeO fillers in polymeric composites is confirmed by XRD analysis.

Kaposiform hemangioendothelioma in an unusual site: A report of two cases in children.

Kaposiform hemangioendothelioma (KHE) is a locally aggressive vascular tumor usually seen in children. It is frequently associated with Kasabach-Merritt phenomenon. Here we report two cases of KHE: the first case being an 11-month-old boy who came with massive swelling on the face and violaceous discoloration. The second case was a 7-year-old boy who presented with respiratory distress and bleeding manifestations. CT scan chest showed a large mass involving the anterior mediastinum. Histologic examination of resected masses from both these cases showed features of KHE involving subcutaneous tissue and thymus, respectively. Although cutaneous and subcutaneous location is common, thymic involvement is unusual. It is important to distinguish KHE from infantile haemangioma, tufted angioma, spindle-cell haemangioma, verrucous malformation and Kaposi sarcoma. Histologic features, supportive immunohistochemistry and the clinical profile together are helpful to differentiate KHE from other vascular lesions.

Analyzing the impact of machine learning and artificial intelligence and its effect on management of lung cancer detection in covid-19 pandemic.

Cancer victims, particularly those with lung cancer, are more susceptible and at higher danger of COVID-19 and associated consequences as a result of their compromised immune systems, which makes them particularly sensitive. Because of a variety of circumstances, cancer patients' diagnosis, treatment, and aftercare are very complicated and time-consuming during an epidemic. In such circumstances, advances in artificial intelligence (AI) and machine learning algorithms (ML) offer the capacity to boost cancer sufferer diagnosis, therapy, and care via the use of cutting technologies. For example, using clinical and imaging data combined with machine learning methods, the researchers may be able to distinguish among lung alterations induced by corona virus and those produced by immunotherapy and radiation. During this epidemic, artificial intelligence (AI) may be utilized to guarantee that the appropriate individuals are recruited in cancer clinical trials more quickly and effectively than in the past, which was done in a conventional and complicated manner. In order to better care for cancer patients and find novel and more effective therapies, It is critical that we move beyond traditional research methods and use artificial intelligence (AI) and machine learning to update our research (ML). Artificial intelligence (AI) and machine learning (ML) are being utilised to help with several aspects of the COVID-19 epidemic, such as epidemiology, molecular research and medication development, medical diagnosis and treatment, and socioeconomics. The use of artificial intelligence (AI) and machine learning (ML) in the diagnosis and treatment of COVID-19 patients is also being investigated. The combination of artificial intelligence and machine learning in COVID-19 may help to identify positive patients more quickly. In order to understand the dynamics of an epidemic that is relevant to artificial intelligence, when used in different patient groups, AI-based algorithms can quickly detect CT scans with COVID-19 linked pneumonia, as well as discriminate non-COVID connected pneumonia with high specificity and accuracy. It is possible to utilize the existing difficulties and future views presented in this study to guide an optimal implementation of AI and machine learning technologies in an epidemic.

New photophysical insights in noncovalent interaction between fulleropyrrolidine and a series of zincphthalocyanines.

The present article reports, for the first time, the photophysical aspects of noncovalent interaction of a fullerene derivative, namely, C(60) pyrrolidine tris-acid ethyl ester (PyC(60)) with a series of zincphthalocyanines, for example, underivatized zincphthalocyanine (1), zinc-1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyanine (2), and zinc-2,3,9,10,16,17,23,24-octakis-(octyloxy)-29H,31H-phthalocyanine (3) in toluene. Ground state electronic interaction of PyC(60) with 1, 2 and 3 has been evidenced from the observation of well-defined charge transfer (CT) absorption bands in the visible region. Utilizing the CT transition energy, vertical electron affinity (E(A)(v)) of PyC(60) is determined. Steady state fluorescence experiment enables us to determine the value of binding constant (K) in the magnitude of 2.60 × 10(4) dm(3)·mol(-1), 2.20 × 10(4) dm(3)·mol(-1), and 1.27 × 10(4) dm(3)·mol(-1) for the noncovalent complexes of PyC(60) with 1, 2, and 3, respectively. K values of PyC(60)-ZnPc complexes suggest that PyC(60) is incapable of discriminating between 1, 2, and 3 in solution. Lifetime experiment signifies the importance of static quenching phenomenon for our presently investigated supramolecules and it yields larger magnitude of charge separated rate constant for the PyC(60)-1 species in toluene. Photoinduced energy transfer between PyC(60) and ZnPc derivatives, namely, 1, 2, and 3, in toluene, has been evidenced with nanosecond laser photolysis method by observing the transient absorption bands in the visible region; transient absorption studies establish that energy transfer from (T)PyC(60)* to the ZnPc occurs predominantly, as confirmed by the consecutive appearance of the triplet states of PyC(60). Theoretical calculations at semiempirical level (PM3) evoke the single projection geometric structures for the PyC(60)-ZnPc systems in vacuo, which also proves that interaction between PyC(60) and ZnPc is governed by the electrostatic mechanism rather than dispersive forces associated with π-π interaction.

Tunable solvatochromic response of newly synthesized antioxidative naphthalimide derivatives: intramolecular charge transfer associated with hydrogen bonding effect.

The solvatochromic behavior of two newly synthesized naphthalimide derivatives (I and II) which have potential antioxidative activities in anticarcinogenic drug development treatment, has been monitored in protic and aprotic solvents of different polarity applying steady-state and time-resolved fluorescence techniques. The compounds exhibit unique photophysical response in different solvent environments. The spectral trends do not appear to originate only from changes in the solvent polarity but also indicate that hydrogen bonding interactions and intramolecular charge transfer (ICT) influence the energy of electronic excitation of the compounds. Incorporation of an amino group at C(4) position of the naphthalimide ring in II makes it behave differently from I in terms of spectral characterization and fluorescence efficacy of the systems. The nonradiative relaxation process of the compounds is governed by medium polarity. The ground state geometry, lowest energy transition, and the UV-vis absorption energy of the compounds were studied using density functional theory (DFT) and time-dependent density functional theory (TDDFT) at the B3LYP/6-31G* level, which showed that the calculated outcomes were in good agreement with experimental data.

Adrenal schwannoma: An uncommon incidentaloma.

WHO classification of adrenal tumors. Only a handful of cases have been reported so far. A 30-year-old lady presented with cerebrovascular accident. CT scans of the abdomen and pelvis revealed a 3.5-cm well-defined, smooth margined, heterogeneously enhancing, mass lesion in the right adrenal gland. She had no endocrine symptoms and urinary metanephnines were normal. She underwent right adrenalectomy for incidentaloma. Histopathology of the excised mass showed features of an adrenal schwannoma. Diagnosis of adrenal schwannoma on imaging studies is difficult preoperatively and raises suspicion of other adrenal tumors. Surgical excision followed by histopathology confirms the diagnosis.

Spectroscopic and theoretical insights into the origin of fullerene-calix[4]pyrrole interaction.

The present paper reports, for the first time, supramolecular interaction of meso-octamethyl calix[4]pyrrole (1) with fullerenes C(60) and C(70) in solutions having varying polarity (e.g., toluene, 1,2-dichlorobenzene and benzonitrile and chloroform). The interaction is facilitated through charge transfer (CT) transition as evidenced from well-defined CT absorption bands in the visible region of absorption spectroscopy. Utilizing the CT transition energy for the complexes of 1 with various electron acceptors, we have determined the ionization potential of 1. Estimation of degrees of CT, oscillator, and transition dipole strengths suggest that the complexes are almost of neutral character in ground state. Higher magnitude of electronic coupling element value for the C(70)-1 complex compared to C(60)-1 indicates strong binding between C(70) and 1. Binding constants (K) of the fullerene-1 complexes have been determined from UV-vis investigations, which indicate high selectivity of 1 toward C(70). Extraordinary large K value of the C(70)-1 complex in chloroform medium (K approximately 1.43 x 10(6) dm(3) x mol(-1)) establishes that a polar environment facilitates such interaction. Both proton NMR and liquid IR studies provide very good support in favor of strong binding between C(70) and 1. (13)C NMR study proves that C(70) binds 1 with its equatorial belt, which substantiates the role of pi-pi interaction behind such strong interaction (i.e., high K value). Semiempirical theoretical calculations at the third parametric level (PM3) explore the stability difference between C(60)- and C(70)-1 complexes. PM3 calculations also reveal that approach of C(70) toward 1 is directed in side-on manner rather than in a conventional end-on alignment.

Unexpectedly large binding constants of azulenes with fullerenes.

In spite of having small pi-conjugation systems, azulenes show large binding constants (10(4)-10(5)) to C(60) and C(70), which are larger than those of monoporphyrins and alternant aromatic hydrocarbons.

Photophysical and theoretical investigations on fullerene/phthalocyanine supramolecular complexes.

The present paper reports the photophysical aspects of a very interesting and unique host-guest interaction between fullerene and phthalocyanines, viz., free base phthalocyanine (H2-Pc) and zinc-phthalocyanine (Zn-Pc), in toluene medium. Ground state electronic interaction between these two supramolecules has been evidenced from the observation of well-defined charge transfer (CT) absorption bands in the visible region. Vertical ionization potentials of the phthalocyanines have been determined utilizing CT transition energy. Magnitude of degrees of CT reveals that, in the ground state, 2-4% CT takes place. Binding constants (K) for the fullerene/phthalocyanine complexes were determined from the fluorescence quenching experiment. Large K values in the ranges approximately 4.7 x 10(4) to 7.3 x 10(4) and 2.3 x 10(4) to 2.5 x 10(4) dm(3) x mol(-1) were obtained for the 1:1 fullerene complexes of Zn and H 2-Pc, respectively. Values of K suggest that both H 2- and Zn-Pc could not serve as an efficient discriminators between C60 and C70. Theoretical calculations as well as (13)C NMR studies establish that the orientation of C 70 toward phthalocyanine is favored in end-on orientation, which proves that interaction between fullerenes and phthalocyanines were governed by the electrostatic mechanism rather than dispersive forces associated with pi-pi interaction.

Photophysical properties of a novel Ni(II)-diporphyrin in presence of fullerenes: insights from experimental and theoretical studies.

The present paper highlights the photophysical aspects of the topologically new Ni(II)-diporphyrin (Ni(2)-1)/fullerene host-guest ensembles. Both absorption and fluorescence studies reveal that Ni(2)-1 undergoes efficient complexation with both C(60) and C(70) in toluene medium. In the fluorescence study, remarkable enhancement of the fluorescence intensity of Ni(2)-1 was observed by the addition of C(60), while normal quenching of fluorescence occurred in case of C(70). From the fluorescence and UV-vis studies, the binding constants of Ni(2)-1 with C(60) and C(70) were determined to be approximately 1.7 x 10(4) and approximately 2.7 x 10(4) dm(3) mol(-1), respectively. Ab initio theoretical calculations reveal that C(70)/Ni(2)-1 complex favor end-on orientation of C(70) rather than side-on approach.

NMR spectrometric studies of complexation of [60]fullerene with series of meso-tetraphenylporphyrins.

Extensive 1H NMR spectrometric studies have been done to gain information on the nature of molecular interactions of the supramolecular complexes of [60]fullerene with a series of meso-tetraphenylporphyrins, namely, meso-5,10,15,20-tetraphenylporphyrin (1), meso-5,10,15,20-tetra-2-bromophenyl-porphyrin (2) and meso-5,10,15,20-tetra-2-chlorophenyl-porphyrin (3) in toluene medium. [60]Fullerene has been shown to form 1:1 adducts with the above series of meso-tetraphenylporphyrins. Formation constants (K) for all the complexes have been determined from the systematic variation of the NMR chemical shifts of beta proton of the porphyrin in presence of [60]fullerene. It has been observed that 3 acts as a better donor in forming supramolecular complex with [60]fullerene.

Inclusion properties of 3-fluoromesotetraphenylporphyrin with C60 and C70.

To improve the selectivity ratio of C70 over C60, a new designer molecule, viz., 3-fluoromesotetraphenylporphyrin (1) has been reported in the present investigations. Fluorescence studies reveal that the Q-absorption band of 1 gets sufficient quenching effect upon addition of both C60 and C70. Binding constants (K) of the C60/1 and C70/1 complexes are estimated to be 580 and 10,800 dm3 mol(-1), respectively. Thus, K(C70)/K(C60) is approximately 19 which is very large and even comparable with other macrocyclic host molecules like calix[5]arene, azacalix[m]arene[n]pyridine, cyclotriveratrylenophane and calixarene bisporphyrin. 1H NMR chemical shift measurements show that the -NH- proton of 1 suffers more shifts in presence of C70 compared to C60. This finding also offers a good support in favor of high K value for C70/1 complex as well as large selectivity ratio of C70 over C60.

Spectral and theoretical studies on effective and selective non-covalent interaction between tetrahexylporphyrins and fullerenes.

The host-guest interaction of zinc(II) 5,10,15,20-tetrahexylporphyrin (Zn-THP) and its free base (H2-THP) with fullerenes (C60 and C70) has been studied in toluene medium. Binding constants (K) for H2- and Zn-THP complexes of fullerenes were determined by UV-vis, fluorescence and NMR spectroscopic techniques. Large K values of C70/THP complexes (KC70 ) were obtained in the range of 1.4-2.5 x 10(4)M(-1), while those of C60/THP complexes (KC60) were smaller (1.0-3.2 x10(3)M(-1)). These results show that the KC70 is about 10 times as large as KC60 in both THPs (KC70/KC60 = 10). Enthalpies of formation (DeltaHf degrees) for various fullerene/THP complexes were estimated by ab initio calculations; DeltaHf degrees for C60/H2-THP, C70/H2-THP, C60/Zn-THP and C70/Zn-THP complexes are 5.82, 2.80, 2.31 and 1.54 kcal mol(-1), respectively. The trends in DeltaHf degrees support the experimental results of selective complexation of THPs towards C70 over C60 and fullerenes towards Zn-THP over H2-THP.

Photophysical investigations on non-covalently linked fullerene/tetraarylporphyrin supramolecular complexes.

The host-guest interactions of various tetraarylporphyrins (TP), viz., 5,10,15,20-tetraphenyl-21H,23H-porphyrin (1), 5,10,15,20-tetrakis(octadecyloxyphenyl)-21H,23H-porphyrin (2) and 5,10,15,20-tetrakis(dodecyloxyphenyl)-21H,23H-porphyrin (3) with C60 and C70 have been studied by 1H NMR, UV-vis and fluorescence spectroscopic techniques in toluene medium. All the fullerene/porphyrin complexes are found to be stable with 1:1 stoichiometry. Binding constants (K) of all the fullerene/porphyrin complexes have been determined by fluorescence quenching experiment. The trend in K values revealed that the presence of long chain n-alkyl group in tetraarylporphyrin effectively and remarkably increases the selectivity ratio of C70 over C60. Theoretical calculations have extended a good support in interpreting the stability difference between various fullerene/TP complexes.

A Rare Case of Hemangioendothelioma of Urinary Bladder.

Hemangioendothelioma is a vascular tumor of endothelial nature of intermediate grade. It most commonly arises from soft tissue of upper and lower extremities. We report a rare case of epithelioid hemangioendothelioma of the urinary bladder. Histologically, it was a vascular tumor formed by smaller capillaries lined by plump epithelioid cells having eosinophilic cytoplasm. Diagnosis was confirmed by immunohistochemistry, as the tumor cells were positive for CD34 and smooth muscle actin.

Study of electron donor-acceptor complexes of tri-n-octyl amine with [60]- and [70]fullerenes and some other electron acceptors by absorption spectrophotometric method.

Electron donor-acceptor (EDA) complexes of tri-n-octylamine (TOA) with [60]- and [70]fullerenes and some other electron acceptors have been studied in chloroform medium by absorption spectrophotometric technique. Charge transfer (CT) absorption bands are observed in the visible region. Vertical ionization potential of TOA was determined utilizing CT transition energy. Oscillator strengths, transition dipole strengths and resonance energies for all the complexes have been calculated. [60]Fullerene/TOA and [70]fullerene/TOA complexes are found to decay slowly with time. Kinetics of these reactions have been studied and activation energies for such processes have been estimated. Ab initio calculations suggest that complexation of [70]fullerene with TOA is enthalpy favoured.

Absorption spectrophotometric study of supramolecular complexation of [60]- and [70]fullerenes with 24,26-dimethoxy-25,27-dihydroxy calix[4]arene.

Supramolecular interactions of 24,26-dimethoxy-25,27-dihydroxy calix[4]arene (1) with [60]- and [70]fullerenes have been studied in only chloroform and in a ternary solvent mixture comprising of chloroform, ethyl alcohol and toluene by UV-vis absorption spectrophotometric method. The experimental results are explained using the model that takes into account the interaction between electronic subsystems of 1 and fullerene. The most interesting feature is the preference of [60]fullerene over [70]fullerene for 1 in ternary solvent mixture as revealed by higher value of formation constant of [60]fullerene/1 complex. The selectivity towards [60]fullerene opens up the way toward self-assembling systems and new separation and purification methods for fullerenes.

Energies of charge transfer and formation equilibria of the complexes of [70]fullerene with some interesting polyaromatic molecules.

We have investigated electron donor-acceptor complexes of [70]fullerene with various polyaromatic molecules (PAM) with different vertical ionization potentials (I(D)(v)). Well defined charge transfer (CT) absorption bands have been located in the visible region. We extract degrees of charge transfer, oscillator and transition dipole strengths by analyzing the transition energy of the CT band as a function of I(D)(v) of the donors studied. The experimental results were explained using a theoretical model that takes into account the interaction between electronic subsystems of PAM with [70]fullerene. Trends in the formation constant for the [70]fullerene/PAM complexes were discussed in terms of enthalpies and entropies of formation.

Spectrophotometric studies of complexation of [60]fullerene with series of aromatic hydrocarbon molecules containing flexible phenyl substituents.

The absorption spectra of the electron donor-acceptor complexes of [60]fullerene with five different aromatic hydrocarbon (AH) molecules containing flexible phenyl substituents have been investigated in toluene medium. An absorption band due to charge transfer (CT) transition is observed in each case in the visible region. The experimental CT transition energies are well correlated with the vertical ionization potentials of the AHs studied (through Mulliken's equation) from which we extract degrees of charge transfer, oscillator and transition dipole strengths of the CT complexes. The degrees of CT in the ground state of the complexes have been found to be very low (0.49-0.55%). The formation constants (K) for the complexes of [60]fullerene with the aromatic hydrocarbons have been determined by UV-vis spectroscopy. Both K values and PM3 calculations on [60]fullerene/AH complexes reveal that nature of substitution in the donor moiety as well as steric compatibility with the acceptor molecule govern the process of EDA complex formation.

Chemical physics behind formation of efficient charge-separated state for complexation between PC70BM and designed diporphyrin in solution.

The present work reports supramolecular interaction of [6,6]-phenyl C71 butyric acid methyl ester (PC70BM) with two designed diporphyrin molecules having dithiophene (1) and carbazole (2) spacer in solvent having varying polarity. Studies on complex formation reveal relatively higher binding constant for PC70BM/2 complex in all the solvent studied. Solvent dependence of charge separation and charge recombination processes in PC70BM/diporphyrin non-covalent complexes has been well established in present work. Donor-acceptor geometry and stabilization of the singlet excited state of the diporphyrin during charge recombination are considered to be the possible reasons for this behavior.