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We report here investigations on conformational effects in the vibrational and electronic spectra of the propionaldehyde (propanal) molecule using FTIR (600–3200 cm−1) and vacuum ultraviolet (VUV) synchrotron radiation photoabsorption (52 500–85 000 cm−1) spectroscopy respectively. Detailed theoretical calculations (using DFT and TDDFT methodologies) on ground and excited states of the cis and gauche conformers of propanal are performed; a comprehensive spectral analysis of the IR and VUV spectra is presented. A reinvestigation of the IR spectrum reveals several new bands assigned to the gauche conformer based on theoretical calculations. The VUV spectrum exhibits rich Rydberg series structure assigned to ns, np and nd series converging to the first ionization potentials of the two conformers. Earlier assignments of the 3s cis and gauche origins are revised in addition to extending Rydberg series analysis to several higher members. Vibronic bands accompanying the 3s, 4s and 4p Rydberg states are assigned using estimated vibrational frequencies of cis and gauche conformers in the cationic ground state. Simulated potential energy curves of the first few excited states (singlets and triplets) of cis and gauche conformers of propanal help in gaining insights into photodissociation mechanisms and possible conformational effects therein. [ABSTRACT FROM AUTHOR]

Pelviureteric Junction Obstruction (PUJO) can cause recurrent Urinary Tract Infections (UTIs), pain, and loss of renal unit function. Surgical intervention is often required, and numerous treatment strategies have been employed. Vertical flap pyeloplasty was initially described as the technique of choice in PUJO patients with the large box-shaped extra-renal pelvis and longer segment strictures (usually >2 cm). In the present case series, 11 patients underwent vertical flap pyeloplasty for PUJO with a large extrarenal box-shaped pelvis. Demographic, perioperative, and follow-up data were recorded. Success was defined as symptomatic improvement and an improvement in early Diethylenetriamine Pentaacetate (DTPA) renogram at six months. In the present series, all 11 patients showed an improvement in Glomerular Filtration Rate (GFR) with an average improvement of 11.9 mL. The procedure was technically easier, less time-consuming, and produced acceptable results. Vertical flap pyeloplasty could be considered as a practical, technically easier, and effective treatment option in PUJO with a large extrarenal pelvis and long segment strictures. [ABSTRACT FROM AUTHOR]

The electronic absorption spectrum of N,N-dimethylformamide (DMF) is studied in the 45 000-80 000 cm-1 (5.6-9.9 eV) region using synchrotron radiation. The vacuum ultraviolet (VUV) spectrum comprises mostly of Rydberg series of ns, np, and nd types converging to the first two ionization potentials (IPs). Quantum defect values obtained are consistent with excitation of an electron from the highest occupied molecular orbitals localized on nitrogen (4a″) and oxygen (16a′); in addition, the 3s Rydberg transition converging to the third IP (3a″) is observed at 8.95 eV. A reinvestigation of the infrared spectrum of DMF in the 500-4000 cm-1 region with the help of density functional theory (DFT) calculations establishes the planarity of the ground state and leads to revision of several vibrational assignments. Vertical excited state energies and their valence/Rydberg character are predicted using time dependent DFT calculations; excellent correlation is achieved between theoretical results and experimentally observed spectral features. Potential energy curves of the first few excited states give additional insights into the nature of the excited states and their role in photodissociation dynamics. The absorption spectrum of DMF in the region >63 400 cm-1 (7.85 eV) as well as a complete set of spectral assignments in the VUV region (45 000-80 000 cm-1) is reported for the first time. This work represents a comprehensive study of the absorption spectra of DMF in the VUV and infrared regions. [ABSTRACT FROM AUTHOR]

Aim: Controversies and disagreement exist on conventional treatment strategies of hemorrhoids due to relapse, inefficacy, and complications. We intend to evaluate the role of individualized homeopathic treatment in hemorrhoids., Materials and Methods: In this prospective, open, observational trial, hemorrhoids patients were treated using five standardized scales measuring complaints severity and anoscopic score. It was conducted at two homeopathic hospitals in India, during from mid-July 2014 to mid-July 2015. Patients were intervened as per individualized homeopathic principles and followed up every month up to 6 months., Results: Total 73 were screened, 52 enrolled, 38 completed, 14 dropped out. Intention to treat population ( n : = 52) was analyzed in the end. Statistically significant reductions of mean bleeding (month 3: -21.8, 95% confidence interval [CI]: -30.3, -13.3, P : < 0.00001, d = 0.787; month 6: -25.5, 95% CI -35.4, -15.6, P : < 0.00001, d = 0.775), pain (month 3: -21.3, 95% CI -28.6, -14.0, P : < 0.00001, d = 0.851; month 6: -27.6, 95% CI -35.6, -19.6, P : < 0.00001, d = 1.003), heaviness visual analog scales (VASs) (month 3: -8.1, 95% CI -13.9, -2.3, P : = 0.008, d = 0.609; month 6: -12.1, 95% CI -19.1, -5.1, P : = 0.001, d = 0.693), and anoscopic score (month 3: -0.4, 95% CI -0.6, -0.2, P : < 0.0001, d = 0.760; month 6: -0.5, 95% CI -0.7, -0.3, P : < 0.0001, d = 0.703) were achieved. Itching VASs reduced significantly only after 6 months (-8.1, 95% CI -14.6, -1.6, P : = 0.017, d = 0.586). No significant lowering of discharge VASs was achieved after 3 and 6 months., Conclusion: Under classical homeopathic treatment, hemorrhoids patients improved considerably in symptoms severity and anoscopic scores. However, being observational trial, our study cannot provide efficacy data. Controlled studies are required. Trial Reg. CTRI/2015/07/005958., Competing Interests: Conflicts of Interest: None declared.