Aluminium corrosion inhibition in 1.0 M hydrochloric acid solution by caffeine has been studied using mass loss technique and quantum chemical calculations based on DFT. The inhibition efficiency was found to increase with increasing concentration of caffeine but decreases with a rise in temperature. The molecule shows the highest inhibition efficiency of 74% at 10<sup>−2</sup> M for <span class="inline_break"><svg xmlns:xlink="http://www.w3.org/1999/xlink" xmlns="http://www.w3.org/2000/svg" width="19.548pt" style="vertical-align:-0.2063904pt" id="M1" height="9.16851pt" version="1.1" viewBox="-0.0498162 -8.96212 19.548 9.16851"><g transform="matrix(.013,0,0,-0.013,0,0)"><path id="g113-85" d="M620 675H597C578 656 570 650 541 650H144C112 650 104 653 94 675H72C59 618 42 552 23 493L53 491C71 534 88 564 105 585C124 608 144 615 238 615H290L197 121C182 40 174 34 88 28L82 0H361L367 28C275 34 266 38 281 121L374 615H441C522 615 543 608 553 583C562 560 566 531 565 493L597 494C603 551 612 629 620 675Z"/></g><g transform="matrix(.013,0,0,-0.013,11.917,0)"><path id="g117-34" d="M535 323V373H52V323H535ZM535 138V188H52V138H535Z"/></g></svg><span class="irelop"></span><svg xmlns:xlink="http://www.w3.org/1999/xlink" xmlns="http://www.w3.org/2000/svg" width="18.72pt" style="vertical-align:-0.2063904pt" height="9.16851pt" version="1.1" viewBox="23.1301838 -8.96212 18.72 9.16851"><g transform="matrix(.013,0,0,-0.013,23.18,0)"><path id="g113-52" d="M285 378C315 398 338 416 353 432C373 451 384 474 384 503C384 579 325 635 236 635H235C182 635 136 610 108 579L65 516L85 496C110 533 150 575 205 575C258 575 300 543 300 481C300 407 232 369 141 339L147 310C163 315 188 321 211 321C268 321 338 284 338 192C338 94 288 40 217 40C160 40 119 68 93 91C85 98 77 97 69 91C60 84 47 71 46 58C44 46 48 35 62 22C75 10 116 -12 162 -12C234 -12 424 62 424 224C424 297 373 359 285 376V378Z"/></g><g transform="matrix(.013,0,0,-0.013,29.42,0)"><path id="g113-49" d="M241 635C89 635 35 457 35 312C35 153 89 -12 240 -12C390 -12 443 166 443 312C443 466 390 635 241 635ZM238 602C329 602 354 454 354 312C354 172 330 22 240 22C152 22 124 173 124 313S148 602 238 602Z"/></g><g transform="matrix(.013,0,0,-0.013,35.66,0)"><use xlink:href="#g113-52"/></g></svg></span> K. The experimental data were used to fit isotherms including Langmuir, Temkin, Freundlich, and El-Awady. The best fits were obtained with the Langmuir model and the kinetic-thermodynamic adsorption model of El-Awady. However, it was found that the adsorption parameters suit well with the isotherm of El-Awady which was chosen as the appropriate isotherm. To distinguish between physisorption and chemisorption, the Dubinin-Radushkevich adsorption model was used. The thermodynamic parameters governing the adsorption of caffeine onto aluminium and that of the metal dissolution were calculated and discussed. DFT study gave further insight into the mechanism of the inhibiting action of caffeine.

R. H. B. Beda

P. M. Niamien

E. B. Avo Bil&#xe9;

A. Trokourey

Inhibition of Aluminium Corrosion in 1.0&#x2009;M HCl by Caffeine: Experimental and DFT Studies

An expeditious route to fused triazolo-pyrido benzoxazepines has been developed using flow and microwave-mediated cyclization chemistry. A range of substituted aryl hydrazides are coupled with a core chloroimine in good to excellent yield via a Pellizzari type process, producing 1,2,4-triazolo-pyrido [<span class="nowrap"><svg xmlns:xlink="http://www.w3.org/1999/xlink" xmlns="http://www.w3.org/2000/svg" style="vertical-align:-0.04981995pt" id="M1" height="8.39864pt" version="1.1" viewBox="-0.0498162 -8.34882 6.36303 8.39864" width="6.36303pt"><g transform="matrix(.013,0,0,-0.013,0,0)"><path id="g113-51" d="M412 140C382 77 369 73 315 73H129L270 222C362 320 402 379 402 466C402 571 322 635 234 635C177 635 130 609 99 576L42 495L64 475C90 514 133 568 201 568C274 568 318 519 318 435C318 349 255 267 193 193C144 135 87 78 32 23V0H405C417 45 427 89 440 131L412 140Z"/></g></svg>,</span><svg xmlns:xlink="http://www.w3.org/1999/xlink" xmlns="http://www.w3.org/2000/svg" style="vertical-align:-0.2063904pt" id="M2" height="8.55521pt" version="1.1" viewBox="-0.0498162 -8.34882 6.36303 8.55521" width="6.36303pt"><g transform="matrix(.013,0,0,-0.013,0,0)"><path id="g113-52" d="M285 378C315 398 338 416 353 432C373 451 384 474 384 503C384 579 325 635 236 635H235C182 635 136 610 108 579L65 516L85 496C110 533 150 575 205 575C258 575 300 543 300 481C300 407 232 369 141 339L147 310C163 315 188 321 211 321C268 321 338 284 338 192C338 94 288 40 217 40C160 40 119 68 93 91C85 98 77 97 69 91C60 84 47 71 46 58C44 46 48 35 62 22C75 10 116 -12 162 -12C234 -12 424 62 424 224C424 297 373 359 285 376V378Z"/></g></svg>-<i>b</i>] [<span class="nowrap"><svg xmlns:xlink="http://www.w3.org/1999/xlink" xmlns="http://www.w3.org/2000/svg" style="vertical-align:-0.04981995pt" id="M3" height="8.39864pt" version="1.1" viewBox="-0.0498162 -8.34882 6.36303 8.39864" width="6.36303pt"><g transform="matrix(.013,0,0,-0.013,0,0)"><path id="g113-50" d="M384 0V27C293 34 287 42 287 114V635C232 613 172 594 109 583V559L157 557C201 555 205 550 205 499V114C205 42 199 34 109 27V0H384Z"/></g></svg>,</span><svg xmlns:xlink="http://www.w3.org/1999/xlink" xmlns="http://www.w3.org/2000/svg" style="vertical-align:-0.2063999pt" id="M4" height="8.32035pt" version="1.1" viewBox="-0.0498162 -8.11395 6.36303 8.32035" width="6.36303pt"><g transform="matrix(.013,0,0,-0.013,0,0)"><path id="g113-54" d="M153 550H386L412 615L406 623H120L82 318C104 327 142 338 184 338C294 338 347 275 347 187C347 112 305 39 221 39C160 39 119 71 97 89C88 97 80 96 71 90C59 80 50 67 49 57C48 45 52 36 66 23C80 9 123 -12 169 -12C221 -11 288 15 342 59C403 109 431 165 431 225C431 308 366 395 238 395C212 395 165 379 127 364L153 550Z"/></g></svg>] benzoxazepines with structural similarity to known antipsychotic agents. Modifications allow for strategically functionalized derivatives, and installation of a fluoro group for use in PET imaging is also demonstrated. Given the affinity of the tricyclic core for 5-HT and dopamine receptors, the derivatives are expected to find utility in CNS research.

Nadeesha Ranasinghe

Enrico Mongeau

Gengyang Yuan

Zachary Minden

Scott Waldron

Christopher Patrick

Farid Fouad

Sabiha Kappera

Graham B. Jones

Flow and Microwave Induced Pellizzari Reactions: Synthesis of Heterocyclic Analogues of the Benzoxazepine Antipsychotic Agents Loxapine and JL-13

This research paper deals with the determination of total chromium (total Cr), Cr(III), and Cr(VI) in Kombolcha leather industrial wastewater and the surrounding (soil and lettuce plant) samples where the wastewater flows. The levels of total Cr, Cr(VI), and Cr(III) in wastewater, soil, and lettuce plant samples were determined by FAAS, UV/Vis spectrophotometer, and difference (Cr(VI) from total Cr), respectively. Among all samples taken, the maximum amounts of total Cr, Cr(III), and Cr(VI) were obtained at the discharging point and the minimum amounts of total Cr and Cr(III) were found downstream (400 m from the junction) of Kombolcha leather industrial wastewater. On the other hand, the minimum concentration of Cr(VI) was obtained in lettuce plant sample. The amounts of total Cr in all samples except soil sample were above the permissible limit as set by WHO/FAO. The concentrations of Cr(III) in all wastewater samples were above the permissible level, whereas the concentration of Cr(VI) in wastewater was above the permissible level except 400 m from the junction. The result showed that a remarkable elimination of total Cr and Cr species has not been achieved by this leather industry as its level was not much decreased when entered into the water systems. Therefore, effective treatment methods should be applied to the wastewater for the wellbeing of the surroundings.

Tilahun Belayneh Asfaw

Tewodros Mulugeta Tadesse

Alamir Mihertu Ewnetie

Determination of Total Chromium and Chromium Species in Kombolcha Tannery Wastewater, Surrounding Soil, and Lettuce Plant Samples, South Wollo, Ethiopia

Short jute fiber reinforced polypropylene (PP) composites were prepared using a single screw extrusion moulding. Jute fiber content in the composites is optimized with the extent of mechanical properties, and composites with 20&#x25; jute show higher mechanical properties. Dissimilar concentrations of several fire retardants (FRs), such as magnesium oxide (MO), aluminum oxide (AO), and phosphoric acid (PA), were used in the composites. The addition of MO, AO, and PA improved the fire retardancy properties (ignition time, flame height, and total firing time) of the composites. Ignition time for 30&#x25; MO, flame height for 30&#x25; PA, and total firing time for 20&#x25; MO content composites showed good results which were 8&#x2009;sec, 1 inch, and 268&#x2009;sec, respectively. Mechanical properties (tensile strength, tensile modulus, bending strength, bending modulus, and elongation at break), degradation properties (soil test, weathering test, and percentage of weight loss), and water uptake were studied.

Sk. Sharfuddin Chestee

Pinku Poddar

Tushar Kumar Sheel

Md. Mamunur Rashid

Ruhul A. Khan

A. M. Sarwaruddin Chowdhury

Short Jute Fiber Reinforced Polypropylene Composites: Effect of Nonhalogenated Fire Retardants

The aim of this study is the identification, structural characterization, and qualification of a degradation impurity of bisoprolol labeled as Impurity RRT 0.95. This degradation product is considered as a principal thermal degradation impurity identified in bisoprolol film-coated tablets. The impurity has been observed in the stress thermal degradation study of the drug product. Using HPLC/DAD/ESI-MS method, a tentative structure was assigned and afterwards confirmed by detailed structural characterization using NMR spectroscopy. The structure of the target Impurity RRT 0.95 was elucidated as phosphomonoester of bisoprolol, having relative molecular mass of 406 (positive ionization mode). The structural characterization was followed by qualification of Impurity RRT 0.95 using several different in silico methodologies. From the results obtained, it can be concluded that no new structural alerts have been generated for Impurity RRT 0.95 relative to the parent compound bisoprolol. The current study presents an in-depth analysis of the full characterization and qualification of an unidentified impurity in a drug product with the purpose of properly defining the quality specification of the product.

Ivana Mitrevska

Ema Kikovska-Stojanovska

Gjorgji Petrusevski

Marina Chachorovska

Suzan Memed-Sejfulah

Sonja Ugarkovic

Identification and Structural Characterization of Unidentified Impurity in Bisoprolol Film-Coated Tablets

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Advances in Chemistry