Green synthesis strategy for producing doped and undoped ZnO nanoparticles: their photocatalytic studies for industrial dye degradation.

A facile and green method for synthesizing Zinc Oxide nanoparticles (ZnO NPs) was successfully carried out using unutilized sweet lime; i.e., Citrus Limetta rind pulp (U-CLRP) extract. The structural, morphological and optical studies were elucidated to confirm the crystallinity, size, and shape of the synthesized NPs. Copper doping on ZnO NPs (CZnO NPs) was carried out to enhance the optical properties. The as-prepared and doped nanoparticle's potential for efficient degradation of a commercial dye, Methylene Blue (MB), was tested under Ultraviolet (UV) and visible light radiation. ZnO NPs showed promising results for dye degradation while an improved result was witnessed for CZnO NPs. ZnO NPs showed 74% of degradation of MB dye under UV irradiation and 57% degradation under visible light radiation. CZnO NPs presented 85 and 90% degradation in the UV and visible radiation, respectively. This green reduction method utilizing biological waste sources shows a promising path for photocatalysts to be developed economically as well as efficiently in the future. These CZnO/ ZnO NPs proved their potential for embedding them as efficient catalysts for wastewater treatment plants of textile industries.

An atypical case of cutaneous cysticercosis in buccal mucosa.

Cysticercosis is a recognized fatal disease to the humans. Taenia solium, a larval stage of pork tapeworm that causes cysticercosis which is an important cause of morbidity in the world. This case report shows the clinical presentations of an atypical case of cutaneous cysticercosis on the right buccal mucosa and its management. It presents the importance of thorough knowledge, proper investigation, symptomatic management with improved treatment regimens and important role of minimally invasive surgery. Its outcome and the treatment options mainly depend on the number, location, size and stage of parasites, as well as on the immune response of the host.

A Novel Modification of the Sagittal Split Osteotomy as an Access Osteotomy.

Pathologies present in the central zone of the mandible are difficult to access, primarily because of the presence of the inferior alveolar nerve (IAN) and the need to remove a large corticocancellous component to reach the area of interest. Many times, this bony window is replaced as a free graft and there is complete resorption in the long term or even rejection of the graft causing a bony defect which can weaken the mandible. Furthermore, the damage to the IAN is profound. To try and avoid these comorbidities the traditional sagittal split osteotomy was modified to access a central osteoma impinging on the IAN and the successful removal of the same without any comorbidities such as paraesthesia or loss of bone structure. We believe that this modification can be used for other scenarios such as benign cysts and difficult presentations of impacted teeth.

Synthesis and spectral characterization of bis(4-amino-5-mercapto-1,2,4-triazol-3-yl)propane.

Bis(4-amino-5-mercapto-1,2,4-triazol-3-yl)propane (BAMTP) was synthesized and characterized by FT-IR and FT-Raman spectra. Gas phase structure of BAMTP was examined under density functional theory B3LYP/6-311++G(d, p) level of basis set, wherein the molecule was subjected to conformational analysis. Thus the identified stable structure utilized for the calculations such as geometry optimization, vibrational behavior, hyperpolarizability analysis, natural bond orbital analysis, band gap, chemical hard/softness and stability. Geometry of BAMTP has been discussed elaborately with related crystal data. The results found from experimental and theoretical methods were reported herewith.

FT-Raman, FT-IR spectral and DFT studies on (E)-1-4-nitrobenzylidenethiocarbonohydrazide.

Quantum mechanical calculation of optimized parameters, vibrational wavenumbers and energies of (E)-1-4-nitrobenzylidenethiocarbonohydrazide ((E)-1-4-NBTCH) was carried out using Hatree Fock (HF) with 6-31G(d,p), 6-311G(d,p) basis sets and density functional theory (DFT) with 6-31G(d,p) basis set. The optimized geometrical parameters obtained by HF and DFT are in better agreement with analogues single XRD data. The vibrational wavenumbers were calculated and the complete assignments were performed on the basis of total energy distribution (TED), calculated with scaled quantum mechanical (SQM) method. The electrical dipole moment (µ) and first hyperpolarizability (ß(0)) values have been computed using ab initio and DFT quantum mechanical calculation. The calculated results (ß(0)) show that the title molecule might have nonlinear optical (NLO) behaviour. The total energy, dipole moment and rotational constant are reported for the title molecule. The HOMO-LUMO energies were calculated and natural bonding orbital (NBO) analysis has also been carried out.

Cu-doped TiO(2) nanoparticles for photocatalytic disinfection of bacteria under visible light.

Two percent Cu-doped TiO(2) nanoparticles were prepared by a modified ammonia-evaporation-induced synthetic method, calcined at 450°C, and characterized by powder X-ray diffraction, energy dispersive X-ray analysis, ESR spectroscopy, scanning electron microscopy, UV-visible diffuse reflectance spectrum, photoluminescence spectroscopy, and electrochemical impedance spectroscopy. Doping shifts the optical absorption edge to the visible region but increases the charge-transfer resistance and decreases the capacitance. Under visible light, the composite nanoparticles very efficiently catalyze the disinfection of Escherichia coli. The prepared oxide is selective in photocatalysis; under UV light, its photocatalytic activity to degrade sunset yellow, rhodamine B, and methylene blue dyes is less than that of the undoped one.

Vibrational spectroscopic study and NBO analysis on bis(4-amino-5-mercapto-1,2,4-triazol-3-yl) methane using DFT method.

In this work, we report a combined experimental and theoretical study on molecular structure, vibrational spectra, NBO analysis of bis(4-amino-5-mercapto-1,2,4-triazol-3-yl) methane (BAMTM). The FT-Raman and FT-IR spectra of BAMTM were recorded in the solid phase. The molecular geometry, harmonic vibrational frequencies and bonding features of BAMTM in the ground state have been calculated by using density functional method (B3LYP) with standard 6-31G(d, p) basis set. Stability of the molecule arising from hyper conjugative interactions, charge delocalization has been analyzed using natural bond orbital (NBO) analysis. The calculated HOMO and LUMO energies show that charge transfer occurs within the molecule. Finally the theoretical spectrograms for FT-IR and FT-Raman spectra of the title molecule have been constructed which show good agreement with recorded spectra.

Enhanced phenol-photodegradation by particulate semiconductor mixtures: interparticle electron-jump.

Degradation of phenol on suspended TiO(2), ZnO, CdO, Fe(2)O(3), CuO, ZnS and Nb(2)O(5) particles under UV-A light exhibit identical photokinetic behavior; follow first-order kinetics, display linear dependence on the photon flux and slowdown with increase of pH. All the semiconductors show sustainable photocatalytic activity. Dissolved O(2) is essential for the photodegradation and oxidizing agents like H(2)O(2), Na(2)BO(3), K(2)S(2)O(8), KBrO(3), KIO(3) and KIO(4), reducing agents such as NaNO(2) and Na(2)SO(3) and sacrificial electron donors like hydroquinone, diphenyl amine and trimethyl amine enhance the degradation. However, the photocatalysis is insensitive to pre-sonication. Two particulate semiconductors present together, under suspension and at continuous motion, enhance the photocatalytic degradation up to about four-fold revealing interparticle electron-jump.