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Dye degradation presents a persistent challenge in addressing water pollution. While several methods, including adsorption, biodegradation, and advanced oxidation processes, have been extensively explored, photocatalysis remains one of the most effective techniques. Conventional photocatalytic dye degradation processes often rely on expensive light sources and are time‐intensive. Herein, we synthesized a SnS catalyst by the solvated metal atom dispersion (SMAD) method, using Sn foil and sulfur powder. The catalyst exhibited remarkable performance, achieving complete degradation of methylene blue within 2 minutes under ambient room light, without the need for any external light source. Similar degradation efficiency was achieved for methyl orange. To evaluate the role of light for the degradation, control experiments were conducted in the dark using methylene blue as a model dye. Although the degradation rate was slightly reduced, the catalyst still facilitated dye degradation in the absence of light. Additionally, the catalytic performance was tested with four other dyes under natural light, all of which yielded promising results, demonstrating the versatility and effectiveness of the SnS catalyst in dye degradation. This work highlights the potential of the SnS catalyst for efficient and rapid dye degradation under both light and dark conditions, offering an energy‐efficient solution for wastewater treatment. [ABSTRACT FROM AUTHOR]

In the pursuit of enhancing the applications of hydrogen as an energy carrier, this research delved into the utilization of a singular hybrid catalyst capable of performing both dehydrogenation and hydrogenation processes for Liquid Organic Hydrogen Carriers (LOHCs). This study presents the synthesis and characterization of a hybrid catalyst, combining an organometallic pincer complex with Pd−Ru heterostructures supported on γ‐alumina. Unlike conventional transition and noble metal nanoparticles, the use of a pincer complex offers exceptional thermal stability due to its aryl backbone, which is advantageous for various endothermic dehydrogenation reactions of hydrocarbons in LOHCs. This pioneering hybrid catalyst is a novel approach, demonstrating a proof of concept. In this study, we utilized the hybrid catalyst to investigate the dehydrogenation and hydrogenation of a lower enthalpic system, specifically the cyclooctane−cyclooctene system. The dehydrogenation of cyclooctane was conducted at 443 K using tertiary butyl ethylene as a sacrificial hydrogen acceptor, while the hydrogenation of cyclooctene reaction catalyzed by Pd−Ru nanostructures occurred at 298 K and 1 atm H2. The results showed successful tandem dehydrogenation‐hydrogenation reactions. However, challenges were noted in terms of catalytic activity and recyclability, providing valuable insights for further refinement and optimization. [ABSTRACT FROM AUTHOR]

Four binary mixtures are isolated from the hydrogen bond liquid crystalline mesogenic complexes comprising methyl malonic acid (MM) and p-n heptyloxy benzoic acid (7BAO) abbreviated as MM + 7BAO & p-n dodecyloxy (12BAO) benzoic acid abbreviated as MM + 12BAO as the precursors exhibit rich phase polymorphism. Variation in the even set of molar proportion in steps of 0.2 leads to the formation of four binary mixtures. Each of the precursors used for the preparation of binary mixtures are treated as X and Y component whose molar ratio varies accordingly. Spectroscopic analysis of the binaries confirms the hydrogen bond existence between the binary mixtures. Phase variance and their textural observations are made through polarizing optical microscopic studies. Thermal properties possessed by these binary mixtures such as phase transition temperatures, enthalpy values, thermal equilibrium, thermal stability, order of phase transition and specific heat capacity are extensively investigated from the differential scanning thermograms obtained for the binaries prepared. These calorimetric investigations suggest the mesophases of the binaries for apt display, thermal and optical applications. [ABSTRACT FROM AUTHOR]

Eight mesogenic liquid crystalline complexes are formed between 4-Nitrobenzaldehyde and p-n alkyloxy benzoic acids whose carbon number varies from pentyl to dodecyl. Chemical, optical and thermal investigations are carried out to all the mesogenic complexes in order to establish the intermolecular hydrogen bonding, mesophase formation, their transition temperatures, enthalpy values, order of transition, thermal equilibrium, thermal stability factor, behavior of mesophases with respect to temperature and specific heat capacity. All the investigations details the chemical, optical and thermal properties possessed by the mesogenic complexes which make them for the apt applicational viability. [ABSTRACT FROM AUTHOR]

Hydrogen bond liquid crystals derived binary mixtures are formed between methyl malonic acid (MM) and p-n heptyloxy benzoic acid (7BAO) abbreviated as MM + 7BAO & p-n dodecyloxy (12BAO) benzoic acid abbreviated as MM + 12BAO. Five binary mixtures are obtained as the molar proportion of the precursor mesogens that varies in odd steps from 0.1 to 0.9. Spectral, optical and thermal investigations of the five binary mixtures are carried out thoroughly for analyzing the mesogenic behaviors that apt the binary mixtures for appropriate applicational utility. [ABSTRACT FROM AUTHOR]

Eight mesogenic liquid crystalline complexes are formed between 4-Nitrobenzaldehyde and p-n alkyloxy benzoic acids whose carbon number varies from pentyl to dodecyl. Chemical, optical and thermal investigations are carried out to all the mesogenic complexes in order to establish the intermolecular hydrogen bonding, mesophase formation, their transition temperatures, enthalpy values, order of transition, thermal equilibrium, thermal stability factor, behavior of mesophases with respect to temperature and specific heat capacity. All the investigations details the chemical, optical and thermal properties possessed by the mesogenic complexes which make them for the apt applicational viability. [ABSTRACT FROM AUTHOR]

All parts of the world are vulnerable to natural disasters. Flood hazards are the most typical causes of damage. People act preventatively up to the point where the predicted advantages (avoiding losses) outweigh the expenses, and this is influenced by knowledge (most of which is embedded in pricing) and limits on their resources. In addition, people vary in how much danger they're willing to take. This study analyses risk perception and attitudes that determine the flood risk response of the people in Jammu and Kashmir. A stated preference survey is carried out, with the potential impact of information being taken into account. Results indicate that several wealth composition variables, including housing value and annual income, have favorable impacts on risk perception. Whereas other factors, such as land value and durable goods value, negatively influence people's perceptions of risk. Additionally, other variables such as 'floods are exogenous to human control' show a very poor correlation with the willingness to pay for flood risk in the area. By their very nature, those who often engage in risky behavior include a need to cope with the occasional positive results. [ABSTRACT FROM AUTHOR]

Diluting the precious metal to be used for catalysis with an abundant and non‐precious metal to form alloy/intermetallic nanostructures is of great interest owing to the cost‐effectiveness of the catalyst. The physicochemical properties of such bimetallic nanostructures are influenced by the atomic ordering of different atoms in the system, generally enhancing the catalytic activity, selectivity, and durability compared to their monometallic counterparts. To understand the relationship between the structure and the activity of the catalyst, phase‐controlled synthesis of alloy/intermetallic nanostructures is crucial. Easy and scalable synthesis of such nanostructures with phase control presents a true challenge. We exploited a colloidal‐based synthetic route termed 'co‐digestive ripening' to prepare Pd−Sn alloy/intermetallic nanostructures. Oleylamine capped Pd and Sn colloids were utilized to obtain network‐like Pd3Sn and grape‐like Pd2Sn nanostructures. Temperature and the stoichiometric ratio between Pd and Sn played significant roles in achieving phase control. The mixture of ligands (oleylamine and trioctylphosphine) in the synthetic procedure resulted in the formation of well‐separated nanoparticles (2.9±0.5 nm) in the case of Pd3Sn and few nm‐sized particles along with aggregates in the case of Pd2Sn. Pd−Sn nanostructures showed enhanced activity and selectivity as compared to their monometallic counterparts for the catalytic performance towards oxidation of benzyl alcohol. [ABSTRACT FROM AUTHOR]

Magnetohydrodynamic flow and heat transfer in an ionic viscous fluid in a porous medium induced by a stretching spinning disc and modulated by electroosmosis under an axial magnetic field and radial electrical field is presented in this study. The effects of convective wall boundary conditions, Joule heating and viscous dissipation are incorporated. The governing partial differential conservation equations are transformed into a system of self‐similar coupled, nonlinear ordinary differential equations with associated boundary conditions. The Matlab bvp4c solver featuring a shooting technique and the fourth‐order Runge–Kutta–Fehlberg method are used to numerically solve the governing dimensionless boundary value problem. Multivariate analysis is also performed to examine the thermal characteristics. An increase in rotation parameter induces a reduction in the radial velocity, whereas it elevates the tangential velocity. Greater electrical field parameter strongly damps the radial velocity whereas it slightly decreases the tangential velocity. Increasing magnetic parameter also damps both the radial and tangential velocities. An increment in electroosmotic parameter substantially decelerates the radial flow but has a weak effect on the tangential velocity field. Increasing permeability parameter (inversely proportional to permeability) markedly damps both radial and tangential velocities. The pressure gradient is initially enhanced near the disk surface but reduced further from the disk surface with increasing magnetic parameter and electrical field parameter, whereas the opposite effect is produced with increasing Joule dissipation. Increasing magnetic and rotational parameters generate a strong heating effect and boost temperature and thermal boundary layer thickness. Nusselt number is boosted with increasing Brinkman number (viscous heating effect) and Reynolds number. The simulations are relevant to electromagnetic coating flows, bioreactors and electrochemical sensing technologies in medicine. [ABSTRACT FROM AUTHOR]

Euclidean distance matrices ( EDM) are symmetric nonnegative matrices with several interesting properties. In this article, we introduce a wider class of matrices called generalized Euclidean distance matrices ( GEDM s) that include EDM s. Each GEDM is an entry-wise nonnegative matrix. A GEDM is not symmetric unless it is an EDM. By some new techniques, we show that many significant results on Euclidean distance matrices can be extended to generalized Euclidean distance matrices. These contain results about eigenvalues, inverse, determinant, spectral radius, Moore–Penrose inverse and some majorization inequalities. We finally give an application by constructing infinitely divisible matrices using generalized Euclidean distance matrices. [ABSTRACT FROM AUTHOR]

Let K n be the second-order cone in R n , where n ≥ ~3. Given a vector q ∈ R n and an n × n matrix G, the second order cone linear complementarity problem SOLCP(G, q) is to find a vector x ∈ R n such that x ∈ K n , y := G x + q ∈ K n and x T y = 0. The matrix G is said to have the Q-property if SOLCP(G, q) has a solution for all q ∈ R n . An n × n matrix G is called a cone automorphism if G K n = K n . In this paper, we obtain a simple characterization for the Q-property of a cone automorphism. This says that G has the Q-property if and only if zero is the only solution to SOLCP(G, 0). [ABSTRACT FROM AUTHOR]

Let W n denote the wheel graph having n-vertices. If i and j are any two vertices of W n , define d i j := 0 if i = j 1 if i and j are adjacent 2 else. Let D be the n × n matrix with (i , j) t h entry equal to d i j . The matrix D is called the distance matrix of W n . Suppose n ≥ 5 is an odd integer. In this paper, we deduce a formula to compute the Moore-Penrose inverse of D. More precisely, we obtain an n × n matrix L ~ and a rank one matrix w w ′ such that D † = − 1 2 L ~ + 4 n − 1 w w ′. Here, L ~ is positive semidefinite, r a n k (L ~) = n − 2 and all row sums are equal to zero. [ABSTRACT FROM AUTHOR]

The Ag–Sn based system in the nano-size regime is one of the strongest candidates for lead-free solders. Besides, the investigation of several other applications of Ag–Sn nanostructures, especially in catalysis, remains scarce which makes it an interesting system to synthesize and explore its chemistry. In this report, nearly monodisperse ε-Ag3Sn intermetallic nanoparticles were prepared by a simple and convenient solution-based process of co-digestive ripening using Ag and Sn colloids obtained by the solvated metal atom dispersion (SMAD) method. Optimization of the temperature and stoichiometric ratio between the metal elements and the use of an appropriate capping agent are crucial factors to realise phase pure intermetallic nanoparticles. Ag3Sn nanoparticles with a size of 3.8 nm ± 0.6 nm were obtained within 12 h of reaction when tri-n-octylphosphine/tri-n-octylphosphine oxide was used as the capping agent at 205 °C. Interestingly, Ag3Sn@SnOx core–shell nanostructures were obtained by changing the capping agent to palmitic acid. These nanostructures were thoroughly characterized by powder X-ray diffraction, transmission electron microscopy (TEM and STEM-EDS), X-ray photoelectron spectroscopy and optical spectroscopy. Thereafter, Ag and Ag3Sn nanoparticles were utilized for photocatalytic degradation of methylene blue, methyl orange and a mixture of both the dyes. [ABSTRACT FROM AUTHOR]

This article discusses a proof of concept for reversible hydrogen storage using the cyclooctane-cyclooctene system. The study focuses on a hybrid catalyst that combines an organometallic pincer complex and Pd-Ru nanostructures immobilized on a γ-alumina support. This catalyst enables dehydrogenation and hydrogenation in a tandem fashion, with the released hydrogen showing promise as a potential automotive fuel source. The research provides valuable insights for the design and development of tandem catalysts for reversible hydrogen storage in liquid organic hydrogen carriers. [Extracted from the article]

A new series of 4-(1H-benzo[d]imidazol-2-ylthio)methyl)tetrazolo[1,5-a]quinolines have been synthesized by the reaction of 2-chloroquinolin-3-carbaldehydes and 1H-benzo[d]imidazole-2-thiol in quantitative yield. Structure of the newly prepared compounds have been determined by spectroscopic methods such as 1HNMR, IR and Mass. Antifungal and antibacterial activities of these newly synthesized compounds have been studied. Antibacterial activity of newly synthesized compounds have been studied with S. aureus, E. coli, P. aeruginosa and S. pyogenes and was found good to moderate activities when compared with Ampicillin as standard. Antifungal activity of compounds was found good to moderate with C. Albicans, A. Niger and A. Clavatus when compared with standard Greseofulvin. [ABSTRACT FROM AUTHOR]

Let G be a strongly connected and balanced directed graph. We define the resistance r i j between any two vertices i and j of G by using the Moore–Penrose inverse of the Laplacian matrix of G and define the resistance matrix by R := [ r i j ]. This generalizes the resistance in the undirected case. In this paper, we show that R is a non-negative matrix and obtain an expression to compute the inverse, determinant and cofactor sums of R. [ABSTRACT FROM AUTHOR]

The hydrogenation of acetylene to ethylene is of great industrial interest. Achieving both high selectivity and high conversion of acetylene to ethylene via semi‐hydrogenation is quite challenging. Bimetallic catalysts offer opportunities to selectively control reaction pathways by altering the electronic and geometric properties of active sites on the catalyst surface. Recent advancements in the synthesis of bimetallic catalysts enabled the creation of random alloys, intermetallics, segregated structures, or single‐site alloys with precision. These catalysts could be tailored for semi‐hydrogenation of acetylene by tuning the features including adsorption energy, active site isolation, and the d‐band center. Modern machine learning tools are also helpful for catalyst design. In this article, an overview of the conceptual advances in the design aspects of bimetallic catalysts, advances and challenges involved in the acetylene semi‐hydrogenation, has been presented. [ABSTRACT FROM AUTHOR]

Let n ≥ 4 be an even integer and W n be the wheel graph with n vertices. The distance d i j between any two distinct vertices i and j of W n is the length of the shortest path connecting i and j. Let D be the n × n symmetric matrix with diagonal entries equal to zero and off-diagonal entries equal to d i j. In this paper, we find a positive semidefinite matrix L ˜ such that rank (L ˜) = n − 1 , all row sums of L ˜ equal to zero, and a rank one matrix w w T such that D − 1 = − 1 2 L ˜ + 4 n − 1 w w T. An interlacing property between the eigenvalues of D and L ˜ is also proved. [ABSTRACT FROM AUTHOR]

Electrochemical methanol reformation (ECMR) is an alternative promising technology for producing hydrogen at low energy consumption compared to water electrolysis. In this process, solid polymer electrolyte Nafion® is widely employed, due to its superior proton conductivity. However, major limitations are the utilisation of expensive platinum based catalysts, high cost of the above membrane and the crossover of methanol through the polymer electrolyte membrane. In the present work, attempt has been to made to use low cost polymer electrolyte membrane and less noble electro catalyst. A series of Anion Exchange Membranes (AEM) are synthesized from Poly (2, 6-dimethyl-1, 4-phenylene oxide) (PPO) for its application in ECMR. PPO is successfully made into anion conducting by chloromethylation followed by quaternization. Two AEM's are synthesized by optimizing chloromethylation reaction time to 5 h and quaternization time to 5 and 8 h and are labelled as QPPO (C5, Q5) and QPPO (C5, Q8) respectively. Further, with the view to improve the anion conductivity further, composite AEMs are prepared by incorporating inorganic anion conducting quaternized graphene oxide particles in the matrix of PPO and QPPO (C5, Q8) polymers separately to obtain two polymers PPO/QGO and QPPO/QGO. The anionic conductivity of PPO/QGO and QPPO/QGO polymer is 1.2 × 10−4 and 1.5 × 10−4 S cm−1 respectively. Both the membranes are subjected as electrolyte for ECMR application using membrane electrode assembly made by with in house synthesized nitrogen doped graphene supported Pd catalyst (Pd/NG) as anode catalyst and commercial Pt/C as cathode catalyst. The performance of composite membrane was compared with the commercial Fumasep® FAA anion exchange membrane. The polarization studies of ECMR cell with composite membrane shows comparable performance with that of commercial Fumasep® FAA-2 FAA membrane. The durability of the membrane(s) in the electrolysis environment was tested for about 20 h. • Quaternization of Polyphenyleneoxide using novel quaternizing reagent 1-benzylimidazole. • Novel synthesis of reduced quaternized graphene oxide particles in polymer. • Enhanced anion conductivity with rQGO particles. • The ECMR studies show stable performance of ~0.65 V at 0.15 A cm-2 with rQGO composites for hydrogen generation. [ABSTRACT FROM AUTHOR]

Luminescence properties that are correlated to near band edge emission and defect-related emission of milled zinc oxide (ZnO) powder prepared by high energy ball milling technique are investigated. Commercial ZnO powder (particle size of 525 nm) was chosen as starting material in milling process to produce ultrafine ZnO powder. The milling process was carried out at different speeds; 0, 200, 400 and 600 rpm for 10 min. After milling at high speed, change in color of milled ZnO powder was clearly observed that could be due to the defects in ZnO structure induced by mechanical strain during milling process. Surface morphology of milled ZnO powder was monitored by field-emission scanning electron microscopy (FESEM). Element component and surface chemical states of the samples were analyzed by X-ray photoelectron spectroscopy (XPS). Optical property of milled samples was investigated by diffuse reflectance UV-Vis spectrometer. Meanwhile, room-temperature photoluminescence spectroscopy of the milled samples was performed. The milled ZnO particle size was distinctly decreased to ca. 200 nm affirmed by FESEM images. Photoluminescence (PL) spectra of milled ZnO sample showed two prominent emission bands; UV and visible region. Visible emission intensity increased with increasing milling speed that would be attributed to greater structural defects caused by high mechanical strain during milling process. [ABSTRACT FROM AUTHOR]

Background. The objective of the present study was to study the morphology and topography of the sesamoid bones of the thumb in a sample south Indian population. Methods. The present study included 25 formalin fixed human cadaveric thumbs, the metacarpo-phalangeal and inter-phalangeal joints of the thumb were dissected. The number of sesamoid bones and the intrinsic muscles containing them were identified. The mean length, breadth and thickness of the sesamoid bones were measured before their removal from thumb by using the digital Vernier caliper. Results. In 92% of cases, there were two sesamoid bones, observed at the metacarpophalangeal joint. The medial sesamoid bone was found inside the adductor pollicis muscle and lateral one was found either in the flexor pollicis brevis muscle (64%) or abductor pollicis brevis muscle (28%). The interphalangeal joint of the thumb in 96% of cases exhibited one sesamoid bone in its median plane, which was within the flexor pollicis longus tendon. The microscopic study confirmed the presence of only bone in all the sections. The mean length, width and thickness of the sesamoid bones at the metacarpophalangeal and inter-phalangeal joints of the thumb were 3 ± 0.9 mm, 6.2 ± 1.2 mm, 4.8 ± 0.8 mm, 2.7 ± 0.8 mm, 6.4 ± 1.3 mm and 4.7 ± 0.6 mm respectively. Conclusions. The present study has provided the morphometric data of the sesamoid bones and their topographical distribution in the intrinsic muscles of thumb. The data of the present study have implications in plastic surgery and will aid the operating hand surgeon and radiologist. [ABSTRACT FROM AUTHOR]

Herein, we report a simple solid state synthetic route to prepare carbon‐Fe based magnetic nanoparticles with different compositions and morphologies through annealing of amorphous Fe nanoparticles under appropriate conditions. Tri‐n‐octylphosphine (TOP) capped amorphous Fe nanoparticles with a mean diameter of 3.2 nm were synthesized using solvated metal atom dispersion (SMAD) method. Annealing of as‐prepared Fe nanoparticles at 300 °C produced carbon encapsulated crystalline bcc‐Fe nanoparticles, whereas at higher temperatures i.e., 400 °C and 500 °C, spherical Fe3C/C core‐shell nanoparticles were obtained. Annealing of as‐prepared Fe nanoparticles in the presence of tri‐n‐octylphosphine oxide (TOPO) ligand under optimized conditions yielded rod shaped Fe3C/C core‐shell morphology. The size, composition and particle morphology of these magnetic nanoparticles could be controlled by changing the reaction time, temperature and the concentration of the TOPO ligand. Magnetic measurements show that rod shaped Fe3C nanoparticles exhibit enhanced coercivity (Hc) values compared with spherical Fe3C nanoparticles, which is due to shape anisotropy. Spherical and rod‐shaped Fe3C nanoparticles encapsulated in carbon have been prepared via annealing under different reaction conditions. [ABSTRACT FROM AUTHOR]

Dentistry, in its surgical and restorative aspect, is in majority based on office practice. Limited dentists work routinely in operation theaters. Majority of the dental procedures can be performed under local anesthesia which is inherently safe. Most dentists are skilled in techniques of local anesthetics and nerve blocks. General anesthesia should not be used as a method of anxiety control but for pain control. All general anesthetics are associated with some risk, and modern dentistry is based on the principle that all potentially painful treatment should be performed under local anesthesia, if at all possible. General anesthesia is strictly limited to those patients and clinical situations in which local anesthesia (with or without sedation) is not an option such as children or individuals with learning difficulties. This review elucidates the facts and importance of general anesthesia in dentistry. [ABSTRACT FROM AUTHOR]

Abstract Electrochemical methanol reformation (ECMR) method has been identified as one of the most effective method for on-site hydrogen production. However, concentrated research towards the development of efficient inexpensive hydrogen evolution reaction (HER) electrocatalyst holds the pivotal role in realizing the hydrogen economy. In this context, for the first time N-graphene supported Pd (Pd/NG) was synthesised and employed as an HER catalyst in ECMR process. N-graphene was synthesised by modified Hummer's method followed by Pd deposition through hydrothermal route. The electrocatalytic activity of Pd/NG for hydrogen evolution was evaluated by CV and LSV techniques. Tafel slope of Pd/NG and Pt/C was calculated from LSV curves and was found to be 33 and 31 mV/decade, respectively. Exchange current density was found to be 3.6 and 3.2 × 10−4 A cm−2 for Pd and Pt catalysts, respectively. The enhanced electrocatalytic activity is majorly attributed to the N-doping and uniform distribution of Pd nano particles on graphene. Further, the performance of Pd/NG was also evaluated in single ECMR cell using Pt–Ru/C at anode and Pd/NG at cathode as electrocatalysts. The results indicated the suitability of Pd/NG as cathode electrocatalyst for HER in ECMR process. Graphical abstract Image 1 Highlights • Synthesis of nitrogen doped graphene supported Pd electrocatalyst (Pd/NG). • Physico-chemical and electrochemical characterization of Pd/NG electrocatalyst. • Hydrogen evolution reaction with lower onset potential, less Tafel slope and high exchange current density. • Performance evaluation of Pd/NG as hydrogen evolution catalyst in electrochemical methanol reformation. [ABSTRACT FROM AUTHOR]

Basal cell carcinoma (BCC) is a local and invasive carcinoma of the epidermoid basal cells. These are mostly caused due to ultraviolet radiation, sun exposure, radiotherapy, etc. They should be identified at the earliest to prevent massive invasion of tissues and for effective treatment. BCC constitutes about 80% of all non-melanoma skin cancers and is most commonly found in head and neck region. BCC is the most common malignancy in people with white skin. Although mortality is considerably less and rarely metastasize, it causes morbidity. They are also at great risk of developing into other malignancies. The incidence of BCC is rapidly increasing and a number of treatment modalities are available. While typically a slow-growing tumor for which metastases is rare, BCC can be locally destructive and disfiguring. Given the vast prevalence of this disease, there is a significant overall burden on patient well-being and quality of life. The current mainstay of BCC treatment involves surgical modalities such as electrodesiccation and curettage, excision, cryosurgery, and Mohs micrographic surgery. Such methods are typically reserved for localized BCC and offer high 5-year cure rates but come with the risk of functional impairment, disfigurement, and scarring. Numerous therapeutic methods established for the treatment of BCC, having their advantages or disadvantages, do not absolutely dissolve the risk of relapses. The early diagnostics based on the good knowledge and timely organized and adequate treatment is a precondition for better prognosis. The treatment modality utilized is dependent on both the tumor type and the patient. This article reviews about the etiology, clinical features, and treatment modalities of BCC. [ABSTRACT FROM AUTHOR]

Diabetes mellitus (DM) is a chronic disease characterized by hyperglycemia and complications that include microvascular disease of the eye and kidney and a variety of clinical neuropathies. DM, also known as simply diabetes, is a group of metabolic diseases in which there are high blood sugar levels over a prolonged period. These high blood sugar levels produce the symptoms of repeated urination, increased hunger, and increased thirst. Untreated diabetes can cause many complications. Acute complications include diabetic ketoacidosis (DKA) and non-ketotic hyperosmolar coma. Serious longterm complications include heart disease, stroke, kidney failure, foot ulcers, and damage to the eyes. Metabolic abnormalities in carbohydrates, lipids, and proteins result from the important role of insulin as an anabolic hormone. Low levels of insulin to achieve adequate response and/or insulin resistance of target tissues, mainly skeletal muscles, adipose tissue, and to a lesser extent, liver, at the level of insulin receptors, signal transduction system, and/or effector enzymes or genes are responsible for these metabolic abnormalities. The severity of symptoms is due to the type and duration of diabetes. Some of the diabetes patients are asymptomatic, especially those with type 2 diabetes during the early years of the disease. Others with marked hyperglycemia, especially in children with absolute insulin deficiency, may suffer from polyuria, polydipsia, polyphagia, weight loss, and blurred vision. Uncontrolled diabetes may lead to stupor, coma, and if not treated death, due to ketoacidosis or rarely from non-ketotic hyperosmolar syndrome. Several pathogenic processes are involved in the development of diabetes. These range from autoimmune destruction of the beta-cells of the pancreas with consequent insulin deficiency to the abnormalities that end in resistance to insulin action. The basis of the abnormalities in carbohydrate, fat, and protein metabolism in diabetes is deficient action of insulin on target tissues. Deficient insulin action results from inadequate insulin secretion and/or diminished tissue responses to insulin at one or more points in the complex pathways of the hormone action. Impairment of insulin secretion and defects in insulin action frequently coexist in the same patient, and it is often unclear which abnormality is the primary cause of hyperglycemia. [ABSTRACT FROM AUTHOR]

Background: Oral health is an essential component of general health and overall well-being of an individual. Oral cavity and its surrounding structures that are free of any diseases are indicative of good oral health. Chewing gum increases salivary flow, raises the pH of plaque and saliva, reduces oral malodor, and is effective for stain removal. Sugar-free gums are simple, inexpensive, and are readily available. Aim: This study aims to evaluate the chewing gum practice among dental students. Materials and Methods: The study group comprises 100 individuals in the age group of 17-26 from both genders. A questionnaire is pertaining to chewing gum practice among dental students. The age and gender are noted along with the type of chewing gums used, frequency and duration are also taken into account. Results: It was found that 50% of population used sugar free and other used non-sugar-free chewing gums, and the frequency was found to be 20% of people used once a day, 40% used twice, and 40% used more than thrice a day with duration of 20% of the people chewed for 2 min, 40% for 2-5 min, 20% for 5-10 min, and 20% for >10 min. Conclusion: The practice of chewing gum among dental students is moderately prevalent and no preference was observed between sugar-free and non-sugar-free chewing. [ABSTRACT FROM AUTHOR]

We report a general strategy for the synthesis of metal nanosponges (M = Ag, Au, Pt, Pd, and Cu) using a capping agent dissolution method where addition of water to the M@BNHx nanocomposite affords the metal nanosponges. The B–H bond of the BNHx polymer gets hydrolysed upon addition of water and produces hydrogen gas bubbles which act as dynamic templates leading to the formation of nanosponges. The rate of B–H bond hydrolysis has a direct impact on the final nanostructure of the materials. The metal nanosponges were characterized using powder XRD, electron microscopy, XPS, and BET surface area analyzer techniques. The porous structure of these nanosponges offers a large number of accessible surface sites for catalytic reactions. The catalytic activity of these metal nanosponges has been demonstrated for the reduction of 4-nitrophenol where palladium exhibits the highest catalytic activity (k = 0.314 min−1). The catalytic activity of palladium nanosponge was verified for the tandem dehydrogenation of ammonia borane and the hydrogenation of nitroarenes to arylamines in methanol at room temperature. The reduction of various substituted nitroarenes was proven to be functional group tolerant except for a few halogenated nitroarenes (X = Br and I) and ＞99% conversion was noted within 30–60 min with high turnover frequencies (TOF) at low catalyst loading (0.1 mol%). The catalyst could be easily separated out from the reaction mixture via centrifugation and was recyclable over several cycles, retaining its porous structure. [ABSTRACT FROM AUTHOR]

Graphical abstract Highlights • Ruthenium hydride and dihydrogen complexes bearing NHC and phosphine ligands were prepared and characterized. • Single crystal structures of ruthenium hydride complexes are presented. • Temperature-dependent elongation of the H H bond in dihydrogen complexes was investigated. • A systematic study for H H bond elongation in a series of dihydrogen complexes has been done. Abstract Ruthenium hydride complexes bearing an N-heterocyclic carbene ligand [RuHCl(CO)(IMes)(PPh 3)(L/L′)] (L = py, 2 ; 4Mepy, 3 ; L′ = MeCN, 4 ; Me 3 CCN, 5) have been synthesized in high-yields via reaction of [ RuHCl(CO)(IMes)(PPh 3)] (1) with pyridyl ligands L (L = py and 4Mepy) or nitrile ligands L′ (L′ = MeCN and Me 3 CCN). The ligands L/L′ are labile in all the ruthenium hydride complexes; they can be easily replaced by Lewis bases. The X-ray structures of complexes 2 and 3 show intramolecular π-π interactions between the aromatic ring of PPh 3 , IMes, and pyridyl ligands. The protonation reaction of 2 – 5 gives the corresponding dihydrogen complexes of the type [RuCl(η2-H 2)(CO)(IMes)(PPh 3)(L/L′)][OTf] complexes (L = py, 6 ; 4Mepy, 7 ; L′ = MeCN, 8 ; Me 3 CCN, 9). In all the dihydrogen complexes, H H bond distances of η2-H 2 ligand is temperature-dependent: 0.98 Å to 0.93 Å in the temperature range of 183–233 K. Attempts to synthesize analogous ruthenium hydride complexes bearing phosphine ligands resulted in a mixture of cis and trans -[RuHCl(CO)(PPh 3) 2 (L)] [L = py, 10/11 (trans HCl / cis HCl); 4Mepy, 12/13 (trans HCl / cis HCl)] complexes. A comparative study has been done to get an insight into the temperature-dependent H H bond distances in complexes 6 – 8 by synthesizing analogous ruthenium dihydrogen complexes , [RuCl(η2-H 2)(CO)(PPh 3) 2 (L)](OTf) (L = py, 15 ; 4Mepy, 17). All the complexes have been characterized using NMR spectroscopy. The X-ray crystal structures of complexes 2 , 3 , and 12 have also been determined. [ABSTRACT FROM AUTHOR]

Polymer electrolyte membrane (PEM)-based electrochemical methanol reformation has gained interest as a practical way to produce hydrogen than water electrolysis due to its low operating voltages. Development of alternative PEM for this application is of considerable interest in order to reduce the cost as well as increase the system efficiency. Presently, a novel SPVDF/ZrP composite membrane was synthesized as proton exchange membrane for hydrogen production using electrochemical methanol reformation (ECMR). PVDF-co-HFP granules were defluorinated by alkali treatment followed by sulfonation using chlorosulfonic acid to prepare sulfonated polymer. Inorganic zirconium phosphate (ZrP) was further added to increase proton conductivity. The membranes were characterized for their physicochemical properties, mechanical strength, and thermal stability. The enhancement in proton exchange capacity and water uptake with adequate dimensional stability was observed with dehydrofluorination and impregnation of ZrP. A novel electrolyzer consisting of Pt-Ru/C as anode electrode, same format as anode as cathode electrode and the SPVDF/ZrP composite membrane was assembled and its performance was tested for hydrogen production. It was found that SPVDF/ZrP composite membrane showed good electrochemical cell performance of 0.65 V at 0.15 A cm−2 current density at ambient temperature and gives scope for operating ECMR cell at higher current densities for to increase the hydrogen production rate which is comparable to the performance of commercial Nafion® 117 membrane. [ABSTRACT FROM AUTHOR]

Abstract: Identifying crystal structure sensitivity of a catalyst for a particular reaction is an important issue in heterogeneous catalysis. In this context, the activity of different phases of ruthenium catalysts for benzene hydrogenation has not yet been investigated. The synthesis of hcp and fcc phases of ruthenium nanosponges by chemical reduction method has been described. Reduction of ruthenium chloride using ammonia borane (AB) and tert‐butylamine borane (TBAB) as reducing agents gave ruthenium nanosponge in its hcp phase. On the other hand, reduction using sodium borohydride (SB) afforded ruthenium nanosponge in its fcc phase. The as prepared hcp ruthenium nanosponge was found to be catalytically more active compared to the as prepared fcc ruthenium nanosponge for hydrogenation of benzene. The hcp ruthenium nanosponge was found to be thermally stable and recyclable over several cycles. This self‐supported hcp ruthenium nanosponge shows excellent catalytic activity towards hydrogenation of various substituted benzenes. Moreover, the ruthenium nanosponge catalyst was found to bring about selective hydrogenation of aromatic cores of phenols and aryl ethers to the respective alicyclic products without hydrogenolysis of the C−O bond. [ABSTRACT FROM AUTHOR]

The pyramidal lobe (PL) represents an embryological remnant of the thyroglossal duct. A solitary focus of papillary thyroid carcinoma (PTC) of the PL of thyroid gland is a rare entity. We present a case of a 33-year-old woman with PTC of the PL with lymph nodal involvement and further discuss the lines of surgical management for primary PTC arising from the PL of thyroid gland. [ABSTRACT FROM AUTHOR]

Organic solvents like methanol is commonly used in pharmaceutical industries as a separation media in the purification process of drugs, and it contains various contaminants like ethyl acetate, methyl formate, acetic acid, etc. in the effluent stream. In the aspect of utilizing this industrial waste/effluent, we attempted to generate pure hydrogen by Proton Exchange Membrane (PEM) based Electrochemical Methanol Reformation (ECMR) process. The present study reports, the influence of ethyl acetate as a potential impurity in methanol on performance of ECMR cell for hydrogen production. Initially, electrochemical half-cell studies carried out using various concentrations of ethyl acetate (0.25, 0.5 and 1%) and their effect was studied systematically. In addition, the ECMR full cell performance was also evaluated with these concentrations and performance deterioration observed during long operation hours and discussed the possible regeneration method in view of its further practical development. The observed cell performance deterioration was attributed to formation of reaction intermediates during oxidation of methanol-water, which was identified by using FTIR and NMR analysis. Potentiostatic mode with operating potential of ∼0.86 V was used as a method to regenerate the cell performance. [ABSTRACT FROM AUTHOR]

In the present investigation Samarium doped barium cerate electrolyte powder of (1-x)Ce 0.8 Sm 0.2 O 2-δ -xBaCe 0.8 Sm 0.2 O 3-δ (where x = 0.1 mol fraction) stoichiometry formula is successfully synthesized through wet chemical route. A SDC-BCS nanocomposite electrolyte is premeditated with respect to its thermal, structural, morphological properties and conductivity performance. The crystal structure and microstructure of the SDC-BCS composite is investigated from XRD and SEM analysis. TG analysis reveals that the calcination temperature (900 °C) of the as prepared powder sample. The crystal structure of as prepared SDC-BCS composite powder is identified as cubic perovskite with orthorhombic distortions occurred at 900 °C. From TEM analysis, the particle size is found to be around 32 nm. SEM analysis reveals that the existence of dual phase microstructure in the composite at 1400 °C. The preparation of dense SDC-BCS nanocomposite with the development of dual phase microstructure is achieved for the better ionic conductivity in SDC-BCS nanocomposites for SOFC application. [ABSTRACT FROM AUTHOR]

Glass fibre reinforced polymer matrix composites are widely used in various industries as important structural components. Unlike metals, strain induced and damage states of an anisotropic composite are hard to predict under real time loading. With that focus, a piezoresistivity material based Structural Health Monitoring (SHM) system for laminated polymer composite is proposed in the study to measure the strain induced in the composite under real time loading. Nickel based alloys such as Karma and Nichrome alloys are embedded into the composites to monitor the strain and damage induced in the composites. The resistance measurement setup with embedded strain sensing nickel alloy is tested with uni-axial tension and flexural load for performance evaluation. The piezoresistivity response of the nickel alloys is used to predict the strain induced and damage state of the composites, when subject to real time loading. The piezoresistivity response of the nickel alloy is inferred in two phases such as deformation phase and failure phase, which clearly shows the various states of strain and damage induced in the composites. In repeated loading, by monitoring the shift in the piezoresistivity response curve of embedded nickel alloy during loading and unloading condition can be directly correlated with the accumulation of permanent damage in the composites. [ABSTRACT FROM AUTHOR]

Shoaling characteristics of waves on steep slopes are unique due to significant reflections. Wave heights on steep slopes are altered in a way that is different from wave interaction with mild slopes. Studies on detailed characterization of such phenomenon on steep slopes are scanty. In this study, an attempt has been made to quantify the wave shoaling coefficient ( K s ) on steep slopes. Wave shoaling and reflection characteristics are studied on steep sloped (1/2.8, 1/3.8, 1/5.6), smooth and impermeable beaches a physical wave tank facility. The thorough analysis of experimentally measured wave heights along the steep slopes revealed that K s is influenced by relative depth which is the ratio of shoaling depth ( d sh ) and shoaling wave length ( L sh ) as well as surf similarity parameter ( ξ) and this led to an empirical formula between K s and other important parameters related to initial wave and beach slope conditions. Through this study, application of linear wave theory (LWT) has been extended for the estimation of shoaling coefficients on steep slopes, which otherwise reported to be not applicable. The derived empirical relations were also tested for the results obtained from experiments performed on a gentle slope (1/100) for similar test conditions. The details of experimental program, analyzing methodology and results are discussed in this paper. [ABSTRACT FROM AUTHOR]

Three dimensional porous structures offer high specific surface areas and large pore volumes, which enhance substrate diffusion within the porous structures and provide a large number of surface active sites. Such types of structures find applications in catalysis. Herein, we report a simple synthetic strategy for the preparation of iridium nanosponges by the capping agent dissolution method. An Ir@BNHx nanocomposite was prepared starting from different iridium precursors by a solid state reduction method using ammonia borane wherein iridium(0) nanoparticles are embedded in a BNHx polymer. Capping agent (here, the BNHx polymer) dissolution using water under ambient conditions resulted in the formation of a mesoporous iridium nanosponge. This iridium nanosponge exhibits a surface area of 33.5 m2 g−1. The iridium nanosponge was found to be catalytically active for hydrogenation of a variety of olefinic substrates including linear and cyclic alkenes and α,β-unsaturated esters under relatively mild conditions and exhibits high turnover frequencies. It was also found to exhibit much better catalytic activity as compared to other iridium based heterogeneous catalysts for olefin hydrogenation reactions. Additionally, catalyst recovery was achieved via simple filtration from the hydrogenation reaction mixture. The catalytically active surface area of iridium nanosponge was estimated using H2-temperature programmed desorption (TPD) experiments. Moreover, the catalyst was found to be thermally quite robust. The catalyst was recyclable over seven cycles of styrene hydrogenation and was found to be capable of hydrogenating 99% of styrene to ethyl benzene after seven cycles. [ABSTRACT FROM AUTHOR]

In the present investigation, the densities (ρ) and viscosities (η) are reported for binary mixtures N -methylformamide with o-substituted aniline (2-chloroaniline, 2-methylaniline and 2-methoxyaniline) over the entire composition range from 303.15 K to 318.15 K and at atmospheric pressure 0.1 MPa. The experimental data is used to calculate excess volume (V E ), deviation in viscosity (∆ η ) and excess Gibbs energy of activation of viscous flow ( G ⁎E ). The excess partial molar volumes, V ¯ m , 1 E and V ¯ m , 2 E and excess partial molar volumes V ¯ m , 1 ° E and V ¯ m , 2 ° E at infinite dilution have also been calculated. The variations in these properties with composition for all the binary mixtures suggest loss of dipolar association, difference in size and shape of the component molecules, dipole-dipole interaction and hydrogen bonding between N -methylformamide with o-substituted aniline. Furthermore, the FTIR spectra have been recorded at 298.15 K and found to be useful for understanding the presence of hydrogen bonding between nitrogen atom of amino group of o-substituted aniline and hydrogen atom of the amide group of N -methylformamide in the liquid mixtures. A good agreement is obtained between excess quantities and spectroscopic data. [ABSTRACT FROM AUTHOR]

Gadolinium doped barium cerate (BCG) electrolytes Ce0.8Gd0.2O1.9 + xBaO (x = 0.1 and 0.4) were prepared by wet chemical method for the use in solid oxide fuel cells operating at intermediate temperatures (600 °C to 800 °C). The as-prepared powder sample was calcined at 900 °C. The calcination temperature was identified using differential scanning calorimetry (DSC) analysis. The orthorhombic perovskite phase formation was confirmed by XRD analysis. From TEM results, the particle size was found to be about 32 nm which is in a good agreement with XRD results. BCG nanoparticles were formed at lower sintering temperature due to using microwave furnace. By reducing the sintering temperature of solid electrolyte through microwave technique, the percentage of barium loss was successfully reduced and the prepared electrolyte can be a good choice for solid oxide fuel cells operating at intermediate temperatures. [ABSTRACT FROM AUTHOR]

A series of new homobimetallic hydride complexes of ruthenium bearing N-heterocyclic carbene ligand of the type [{RuHCl(IMes)(PPh 3 )(CO)} 2 (4,4’-bpy)] (IMes = 1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene) (4,4’-bpy = 4,4’-bipyridine) ( 2 ), [{RuHCl(IMes)(PPh 3 )(CO)} 2 (4,4’-dpyen)] (4,4’-dpyen = 1,2-bis(4-pyridyl)ethylene) ( 4 ), and [{RuHCl(IMes)(PPh 3 )(CO)} 2 (4,4’-dpyan)] (4,4’-dpyan = 1,2-bis(4-pyridyl)ethane) ( 5 ) has been synthesized and characterized starting from [RuHCl(IMes)(PPh 3 )(CO)] ( 1 ). The pyridyl-based ligands, (4,4’-bpy), (4,4’-dpyen), and (4,4’-dpyan) in these complexes act as the bridging ligands between the two ruthenium fragments. The bridging ligand in these bimetallic complexes is very labile. Reaction of these complexes with PMe 3 led to extensive substitution of not only the bridging ligand but also the PPh 3 ligands. Reaction of complexes 2 , 4 , and 5 with HOTf at low temperatures result in the formation of the corresponding dihydrogen complexes, [{RuCl(η 2 -H 2 )(IMes)(PPh 3 )(CO)} 2 (4,4’-bpy)][OTf] 2 ( 9 ), [{RuCl(η 2 -H 2 )(IMes)(PPh 3 )(CO)} 2 (4,4’-dpyen)][OTf] 2 ( 10 ), and [{RuCl(η 2 -H 2 )(IMes)(PPh 3 )(CO)} 2 (4,4’-dpyan)][OTf] 2 ( 11 ), respectively. These are the first examples of homobimetallic ruthenium dihydrogen complexes bearing NHC ligands. The intact nature of the H–H bond in these derivatives was established by variable temperature 1 H (400 MHz) spin-lattice relaxation time ( T 1 , ms) measurements and from the H, D coupling constants of the corresponding HD isotopomers. The H–H distances ( d HH ) in these complexes fall in the range 0.95–0.98 Å. Hydrogen evolution takes place upon warming the dihydrogen complexes generated at low temperatures, indicating the labile nature of the H 2 ligand in these complexes. The X-ray crystal structure of [{RuHCl(IMes)(PPh 3 )(CO)} 2 (4,4’-bpy)] complex ( 2 ) has been determined. [ABSTRACT FROM AUTHOR]

This paper presents the structural and morphological analysis of various Cu/Zn based nanoparticles evolved from bulk brass under different experimental conditions. Vaporization of bulk brass in a solvated metal atom dispersion (SMAD) method results in dealloying of brass into Zn and Cu atoms. Subsequent in situ nucleation and growth of dealloyed components yields Cu/Zn@Cu core-shell nanocomposites. The behavior of these nanocomposites under different heating conditions is studied in detail. Solid state annealing generates brass nanoparticles going through several phases of Cu-Zn phase diagram such as η-CuZn 5 , γ-Cu 5 Zn 8 , β-CuZn (observed as martensite) and α-CuZn in sequence. Whereas, a digestive ripening process which involves refluxing of nanocomposites prepared with capping agents imparts spherical morphology and significantly brings down the size and size distribution of the particles. A detailed characterization of refluxed nanocomposites demonstrates certain processes such as diffusion of Zn atoms and segregation of Cu and Zn phases. [ABSTRACT FROM AUTHOR]

Ruthenium pincer complex [RuHCl(PPh 3 )(PNP)] (PNP = Me−N(CH 2 CH 2 PPh 2 ) 2 ) ( 1 ) was synthesized by reaction of RuHCl(PPh 3 ) 3 with Me-N(CH 2 CH 2 PPh 2 ) 2 and characterized. Abstraction of chloride ligand in complex 1 using NaBAr 4 f in the presence of small molecules such as N 2 , H 2 , O 2 , and CO resulted in the formation of trans -[RuH(L)(PPh 3 )(PNP)]BAr 4 f {L = N 2 ( 2 ), H 2 ( 4 ), O 2 ( 5 ), CO ( 6 )} complexes. Complexes 2 , 4 , 5 , and 6 have been characterized by various techniques. The reaction of [RuHCl(PPh 3 )(PNP)] complex with NaBH 4 gave a borohydrido complex [RuH( η 1 −BH 4 )(PPh 3 )(PNP)] ( 7 ) which upon reaction with NEt 3 generates a mixture of cis and trans dihydrides [RuH 2 (PPh 3 )(PNP)] ( 8 ). The reaction of dihydride complexes with CO 2 leads to the formation of formate complex [RuH( η 1 −HCO 2 )(PPh 3 )(PNP)] ( 9 ). In addition, dihydrogen complexes [Ru(η 2 -H 2 )(L)(PPh 3 )(PNP)] n+ (L = Cl ( 10 ), CO ( 11 )) having different trans donor ligands were synthesized by protonation of trans -[RuH(L)(PPh 3 )(PNP)] n+ {n = 0, L = Cl; n = 1, L = CO} complexes with HOTf at low temperature. Complexes 1 and 6 have been characterized by X-ray crystallography. [ABSTRACT FROM AUTHOR]

Let K ⊆ I R n denote the second-order cone. Given an n × n real matrix M and a vector q ∈ I R n , the second-order cone linear complementarity problem SOLCP ( M , q ) is to find a vector x ∈ I R n such that x ∈ K , y : = M x + q ∈ K and y T x = 0 . We say that M ∈ Q if SOLCP ( M , q ) has a solution for all q ∈ I R n . An n × n real matrix A is said to be a Z -matrix with respect to K iff: x ∈ K , y ∈ K and x T y = 0 ⟹ x T M y ≤ 0 . Let Φ M ( q ) denote the set of all solutions to SOLCP ( M , q ) . The following results are shown in this paper: • If M ∈ Z ∩ Q , then Φ M is Lipschitz continuous if and only if M is positive definite on the boundary of K . • If M is symmetric, then Φ M is Lipschitz continuous if and only if M is positive definite. [ABSTRACT FROM AUTHOR]

The intermolecular interactions in the binary liquid systems of N-methylformamide with acetophenone and cyclic ketones (cyclopentanone and cyclohexanone) were studied with combined experimental and computational methodology. The speed of sound (u), density (ρ) and viscosity () values are measured for binary mixtures of N-methylformamide with ketones over the entire range of mole fraction at temperatures (T) of 303.15–318.15 K, at atmospheric pressure. From the experimental results, the values of excess molar volume (VE), excess isentropic compressibility (κsE), deviation in viscosity (Δη) and excess Gibbs free energy of activation of viscous flow () are evaluated. The experimental results indicate an intermolecular association between the binary liquid mixtures. Furthermore, the nature of the hydrogen bond of the associated complexes is further confirmed by high-level theoretical calculations. The structures, interactional energies and natural bonding orbital analysis of the hydrogen-bonded complex have been calculated in the gas phase using the density functional theory method at the B3LYP/6-311++G (d, p) level. [ABSTRACT FROM AUTHOR]