Open Access. Powered by Scholars. Published by Universities.®

Digital Commons Network™

Open Access. Powered by Scholars. Published by Universities.®

2019

Discipline
Institution
Keyword
Publication
Publication Type
File Type

Articles 25111 - 25140 of 29570

Full-Text Articles in Entire DC Network

University Of Nebraska At Omaha Department Of Biomechanics Annual Report Spring 2019, Department Of Biomechanics, University Of Nebraska At Omaha Jan 2019

University Of Nebraska At Omaha Department Of Biomechanics Annual Report Spring 2019, Department Of Biomechanics, University Of Nebraska At Omaha

Biomechanics Annual Report

This report contains:

A letter from the Director: Dr. Nick Stergiou

Articles about Updates: Center for Research in Human Movement Variability

Articles about the Updates: Department of Biomechanics

Articles on Exciting News

Article about Beyond the Boarders

Articles on Outreach

and Highlights


Nanomedicine-Assisted Combination Therapy Of Nsclc: New Platinum-Based Anticancer Drug Synergizes The Therapeutic Efficacy Of Ganetespib, Jyothi Kallu, Tuhina Banerjee, Shoukath Sulthana, Saloni Darji, Ryan Higginbotham, Christina Fletcher, Nikolay Gerasimchuk, Santimukul Santra Jan 2019

Nanomedicine-Assisted Combination Therapy Of Nsclc: New Platinum-Based Anticancer Drug Synergizes The Therapeutic Efficacy Of Ganetespib, Jyothi Kallu, Tuhina Banerjee, Shoukath Sulthana, Saloni Darji, Ryan Higginbotham, Christina Fletcher, Nikolay Gerasimchuk, Santimukul Santra

College of Natural and Applied Sciences

Purpose: K-RAS is the most common mutated oncogene associated with Non-Small-Cell Lung Cancer (NSCLC). So far, there are no promising chemotherapies for the direct inhibition of K-RAS, and considered to be undruggable. In this work, we have introduced a new platinum-based cyanoximate complex, Pt(MCO)2, as an anti-cancer drug to enhance the therapeutic efficacy of Hsp90 inhibitor drug, ganetespib for the combination therapy of NSCLC. Methods: We have synthesized polyacrylic acid (PAA)-coated magnetic nanoparticles (MNPs) and used as drug delivery system. These MNPs were decorated with folic acid in order to target folate receptor-expressing NSCLC. The individual and combination of drugs …


An Insight Into The Therapeutic Potential Of Piperazine-Based Anticancer Agents, Kamran Walayat, Noor Ul Amin Mohsin, Sana Aslam, Matloob Ahmad Jan 2019

An Insight Into The Therapeutic Potential Of Piperazine-Based Anticancer Agents, Kamran Walayat, Noor Ul Amin Mohsin, Sana Aslam, Matloob Ahmad

Turkish Journal of Chemistry

The piperazine ring system is among the medicinally important nitrogen-containing heterocyclic ring systems and is exploited for the synthesis of various drug molecules. A number of FDA-approved anticancer drugs contain piperazine rings and thus it is considered as an attractive scaffold having extraordinary potential for the development of new anticancer agents. In recent decades there has been an alarming increase in the number of people suffering from cancerous diseases all over the world, which resulted in an extraordinary increase in research reports on new anticancer drug candidates. The aim of this article is to highlight the structural parameters imparting anticancer …


Chemistry Of Endemic \Textit{Tanacetum Mucroniferum} Hub.-Mor. {\&} Grierson Extracts And Three New Sesquiterpene Lactones, Hüseyi̇n Servi̇, Nezhun Gören Jan 2019

Chemistry Of Endemic \Textit{Tanacetum Mucroniferum} Hub.-Mor. {\&} Grierson Extracts And Three New Sesquiterpene Lactones, Hüseyi̇n Servi̇, Nezhun Gören

Turkish Journal of Chemistry

Tanacetum mucroniferum Hub.-Mor. & Grierson was collected from Sakaltutan in Erzincan Province of Turkey. Comparative phytochemical investigation was carried out on the ethyl acetate and methanol extracts of the plant. The secondary metabolites were isolated and purified by chromatographic methods such as column chromatography, medium pressure liquid chromatography, high-performance thin-layer chromatography, and preparative thin-layer chromatography. The extracts of the aerial parts of Tanacetum mucroniferum yielded three new sesquiterpene lactones and some known compounds, namely two sesquiterpene lactones, six flavonoids, three coumarins, and one triterpene. Structures of isolated compounds were determined by IR, UV, $^{1}$H NMR, APT, COSY, HSQC, HMBC, NOESY, …


Magnetic Solid-Phase Extraction Based On Coriolus Versicolor-Immobilized $\Gamma $-Fe$_{2}$O$_{3}$ Nanoparticles For Preconcentration And Determination Of Al(Iii) In Water And Food Samples, Sadi̇n Özdemi̇r, Mustafa Serkan Yalçin, Ersi̇n Kilinç, Mustafa Soylak Jan 2019

Magnetic Solid-Phase Extraction Based On Coriolus Versicolor-Immobilized $\Gamma $-Fe$_{2}$O$_{3}$ Nanoparticles For Preconcentration And Determination Of Al(Iii) In Water And Food Samples, Sadi̇n Özdemi̇r, Mustafa Serkan Yalçin, Ersi̇n Kilinç, Mustafa Soylak

Turkish Journal of Chemistry

A method for preconcentration of Al(III) prior to its determination by inductively coupled plasma-optical emission spectrometry (ICP-OES) was developed because the sensitivity of ICP-OES is insufficient for trace-level measurement of Al(III). The method is based on the use of Coriolus versicolor}-immobilized $\gamma $-Fe$_{2}$O$_{3}$ magnetic nanoparticles as a solid phase sorbent. The best experimental conditions were found as pH 6.0, 2.0 mL/min flow rate, 100 mg amount of C. versicoloron 150 mg of $\gamma $-Fe$_{2}$O$_{3}$ nanoparticles, and 500 mL of sample volume. The Al(III) absorbed on biosorbent was eluted with 5.0 mL of 1.0 mol/L HCl. Limit of detection, limit of …


An Investigation Of The Nature Of Plasminogen Activator Inhibitor Type-I (Pai-I) To Improve Upon Known Small Molecule Inhibitors, Justin A. Powers Jan 2019

An Investigation Of The Nature Of Plasminogen Activator Inhibitor Type-I (Pai-I) To Improve Upon Known Small Molecule Inhibitors, Justin A. Powers

Senior Honors Theses and Projects

Plasminogen activator inhibitor type-I (PAI-I ) is a serpin superfamily member protein that acts as the major inhibitor of tissue-type plasminogen activator (tPA) and urokinase-type plasminogen activator (uPA). At physiological levels, PAI-I plays an active role in regulating fibrinolysis, the process of normal blood clot degradation. Pathological levels of PAI-I have been linked to multiple health ailments: fibrosis, heart disease, cancer, and obesity. In recent years, PAI-1 has been the subject of targeted drug design. In this study, we identified a class of polyphenol compounds as the most capable of maintaining its inhibitory efficiency against vitronectin bound PAI-I in buffer …


Lynn - 2019 Annual Edition, Lynn University Jan 2019

Lynn - 2019 Annual Edition, Lynn University

Lynn Magazine / LYNN

Main Stories:

  • A winning dynasty: Fighting Knights rise to the challenge
  • iPad-powered Fighting Knights
  • Wellness for the mind and body
  • Passing the torch


“Making It Your Own By Adapting It To What’S Important To You”: Plurilingual Critical Literacies To Promote L2 Japanese Users’ Sense Of Ownership Of Japanese, Noriko Iwasaki, Yuri Kumagai Jan 2019

“Making It Your Own By Adapting It To What’S Important To You”: Plurilingual Critical Literacies To Promote L2 Japanese Users’ Sense Of Ownership Of Japanese, Noriko Iwasaki, Yuri Kumagai

East Asian Languages & Cultures: Faculty Publications

The dichotomy between native speaker (NS) and non-native speaker (NNS) remains ubiquitous across different language-learning contexts despite increasing mobility and multilingualism of society. L2 Japanese learners in particular may find themselves positioned as subordinate to NSs because of the myth of Japan being a homogeneous nation of one race and one language. To help L2 Japanese students counter such positioning and gain a sense of ownership, we implemented “plurilingual critical literacies” in a Japanese language course in the U.S. Critical literacy aims to cultivate students’ awareness that power relationships are at play in language use, and plurilingual pedagogy valorizes students’ …


Second Persons And The Constitution Of The First Person, Jay L. Garfield Jan 2019

Second Persons And The Constitution Of The First Person, Jay L. Garfield

Philosophy: Faculty Publications

Philosophers and Cognitive Scientists have become accustomed to distinguishing the first person perspective from the third person perspective on reality or experience. This is sometimes meant to mark the distinction between the “objective” or “intersubjective” attitude towards things and the “subjective” or “personal” attitude. Sometimes, it is meant to mark the distinction between knowledge and mere opinion. Sometimes it is meant to mark the distinction between an essentially private and privileged access to an inner world and a merely inferential or speculative access to that world. No doubt there are other uses as well. But I don't care about this …


Circadian Variations And Risky Decision Making, Sana Sra Jan 2019

Circadian Variations And Risky Decision Making, Sana Sra

Scripps Senior Theses

Over the past decades, decision making under risk has garnered a great amount of attention both in the field of economics and psychology. Although state-dependent variabilities of risk taking are well-documented, little is known about the effects of a person’s preferred time of day, or chronotype, in risky decision making. Under circumstances of circadian mismatch (e.g., when an “early bird” makes decisions in the evening), research suggests that decision making may reflect a greater reliance on heuristics, such as using stereotypes in social judgments. However, the effects of circadian mismatch on heuristics in risky decision making are relatively unexplored. This …


'If I Don't Have That, No Learning": Significance Of Student-Centered Affective Labor Among Public High School Teachers In Tacoma, Wa, Delaney Dawson Jan 2019

'If I Don't Have That, No Learning": Significance Of Student-Centered Affective Labor Among Public High School Teachers In Tacoma, Wa, Delaney Dawson

Scripps Senior Theses

This thesis explores how public high school teachers in Tacoma, WA, USA conceptualize the values and rewards of their career through their professional interactions at various levels of the educational institution. By analyzing teachers’ career motivations, goals, and definitions of success, it becomes clear that these teachers most highly prioritize their affective labor and the relationships they build with their students. Teachers consistently emphasize the non-financial, student-centered elements of the compensation they receive for their work, and their grievances about the structure of the school system primarily center around the constraints placed upon their performance of student-centered affective labor by …


Classically Formal, Biotic Subjectivity: Moderating Plastic's Relation To The Viewer, Tirza Jo Ochrach-Konradi Jan 2019

Classically Formal, Biotic Subjectivity: Moderating Plastic's Relation To The Viewer, Tirza Jo Ochrach-Konradi

Scripps Senior Theses

Due to its cheap, pervasive, and disposable nature, post-consumer plastic has no subjectivity in its relation to the consumer. My thesis project examines the material’s inherent destructive narrative and question its ability to have extrinsic value beyond the assumptions of trash. In my research, I found that humans instinctually seek to conserve and treat biotic material with care. This fact has become a catalyst for the works in this project, which aim to not only increase the material’s value through animate biomorphic transformation, but also counter our disposable tendencies.

At the onset of this project, I was fixated solely on …


Serum Nesfatin-1 And Galanin Concentrations In The Adult With Metabolic Syndrome: Relationships To Insulin Resistance And Obesity, Maryam N. Alotibi, Amina M. Alnoury, Amani M. Alhozali Jan 2019

Serum Nesfatin-1 And Galanin Concentrations In The Adult With Metabolic Syndrome: Relationships To Insulin Resistance And Obesity, Maryam N. Alotibi, Amina M. Alnoury, Amani M. Alhozali

Saudi Medical Journal

Objectives: To investigate the serum levels of nesfatin-1 and galanin in patients with metabolic syndrome (MetS), and also to show their association with the parameters of the disease. Methods: We performed a case-control study with 84 participants (44 patients with MetS diagnosed according to the American Heart Association/National Heart, Lung, and Blood Institute and International Diabetes Federation criteria and 40 control group) were recruited from King Abdulaziz University Hospital, Jeddah, Saudi Arabia, between October 2014 and June 2015. Anthropometric parameters, biochemical markers as well as nesfatin-1 and galanin were measured. Results: Nesfatin-1 levels were found to be significantly lower and …


Ellen Robinson Epstein '69-Carol Farley Munson '69, Ellen Epstein, Carol Munson Jan 2019

Ellen Robinson Epstein '69-Carol Farley Munson '69, Ellen Epstein, Carol Munson

Alumni Oral History Project

No abstract provided.


Rose Oliveira-Leslie Fenn '69, Rose Oliveira, Leslie Fenn Jan 2019

Rose Oliveira-Leslie Fenn '69, Rose Oliveira, Leslie Fenn

Alumni Oral History Project

No abstract provided.


Benjamin Panciera-Platt Townend Arnold '64, Benjamin Panciera, Platt Arnold Jan 2019

Benjamin Panciera-Platt Townend Arnold '64, Benjamin Panciera, Platt Arnold

Alumni Oral History Project

No abstract provided.


Do People Really Become More Conservative As They Age?, Johnathan C. Peterson, Kevin Smith, John Hibbing Jan 2019

Do People Really Become More Conservative As They Age?, Johnathan C. Peterson, Kevin Smith, John Hibbing

Department of Political Science: Faculty Publications

Folk wisdom has long held that people become more politically conservative as they grow older, although several empirical studies suggest political attitudes are stable across time. Using data from the Michigan Youth-Parent So- cialization Panel Study, we analyze attitudinal change over a major portion of the adult life span. We document changes in party identification, self-reported ideology, and selected issue positions over this time period and place these changes in context by comparing them with contemporaneous national averages. Consistent with previous research but con- trary to folk wisdom, our results indicate that political attitudes are remarkably stable over the long …


Risk Mitigation For Travelers: Managing Endemic And Emerging Threats, Shannon M. Wood, David Brett-Major Jan 2019

Risk Mitigation For Travelers: Managing Endemic And Emerging Threats, Shannon M. Wood, David Brett-Major

Journal Articles: Epidemiology

International travel continues to increase in numbers and complexity. Despite the availability of pretravel health advice, travelers remain at risk for exposure to common organisms as well as emerging pathogens. With low rates of travel clinic utilization, it is important for the general practitioner to remain aware of the importance of travel health, risk factors unique to individual patients, and evolving threats. This review highlights important considerations when evaluating ill travelers, incorporating emerging infectious threats.


Fy 2019 Annual Report Of Tennessee's 319 Nonpoint Source Grant Program, Tennessee. Department Of Agriculture. Jan 2019

Fy 2019 Annual Report Of Tennessee's 319 Nonpoint Source Grant Program, Tennessee. Department Of Agriculture.

Land & Water Stewardship Reports

No abstract provided.


Fy 2018 Annual Report Of Tennessee's 319 Nonpoint Source Grant Program, Tennessee. Department Of Agriculture. Jan 2019

Fy 2018 Annual Report Of Tennessee's 319 Nonpoint Source Grant Program, Tennessee. Department Of Agriculture.

Land & Water Stewardship Reports

No abstract provided.


Lawyer Wellbeing As A Crisis Of The Profession, Cheryl Ann Krause, Jane Chong Jan 2019

Lawyer Wellbeing As A Crisis Of The Profession, Cheryl Ann Krause, Jane Chong

South Carolina Law Review

No abstract provided.


Quantifying Protein Copy Number In Super-Resolution Using An Imaging Invariant Calibration, Francesca Cella Zanacchi, Carlo Manzo, Raffaella Magrassi, Nathan D. Derr, Melike Lakadamyali Jan 2019

Quantifying Protein Copy Number In Super-Resolution Using An Imaging Invariant Calibration, Francesca Cella Zanacchi, Carlo Manzo, Raffaella Magrassi, Nathan D. Derr, Melike Lakadamyali

Biological Sciences: Faculty Publications

The use of super-resolution microscopy in recent years has revealed that proteins often form small assemblies inside cells and are organized in nanoclusters. However, determining the copy number of proteins within these nanoclusters constitutes a major challenge because of unknown labeling stoichiometries and complex fluorophore photophysics. We previously developed a DNA-origami-based calibration approach to extract protein copy number from super-resolution images. However, the applicability of this approach is limited by the fact that the calibration is dependent on the specific labeling and imaging conditions used in each experiment. Hence, the calibration must be repeated for each experimental condition, which is …


‘Bloodwood’ And ‘Liminal Spaces, Timeless Places: Abjection, Liminality And Landscape In Australian Gothic Fiction’, Karleah Olson Jan 2019

‘Bloodwood’ And ‘Liminal Spaces, Timeless Places: Abjection, Liminality And Landscape In Australian Gothic Fiction’, Karleah Olson

Theses : Honours

This creative honours project comprises a work of fiction titled ‘Bloodwood’ and an accompanying exegetical essay, exploring the concept of liminal space within the Australian landscape. It investigates the anxieties and consequences of past trauma that linger within the landscape of modern Australia, exploring themes such as time, connection to nature, trauma and grief. Using Julia Kristeva’s abjection theory, particularly her ideas on liminal space, this work addresses the contentious issue of postcolonial theory within the field of literary studies, as well as the concept of grief as a liminal process. These ideas are explored through the storylines of three …


Gold-Assembled Silica-Coated Cobalt Nanoparticles As Efficient Magnetic Separation Units And Surface-Enhanced Raman Scattering Substrate, Lütfi̇ye Sezen Yildirim, Murat Kaya, Mürvet Volkan Jan 2019

Gold-Assembled Silica-Coated Cobalt Nanoparticles As Efficient Magnetic Separation Units And Surface-Enhanced Raman Scattering Substrate, Lütfi̇ye Sezen Yildirim, Murat Kaya, Mürvet Volkan

Turkish Journal of Chemistry

Magnetic and optical bifunctional nanoparticles that combine easy separation, preconcentration, and efficient SERS capabilities have been fabricated with high sensitivity and reproducibility through a low-cost method. These gold nanoparticles attached on magnetic silica-coated cobalt nanospheres (Co@SiO$_{2}$/AuNPs) display the advantage of strong resonance absorption due to gaps at nanoscale between neighboring metal nanoparticles bringing large field enhancements, known as "hot spots". The prepared particles can be controlled by using an external magnetic field, which makes them very promising candidates in biological applications and Raman spectroscopic analysis of dissolved organic species. The magnetic property of the prepared particles lowers the detection limits …


New Flavonoid Glycosides Conjugates: Synthesis, Characterization, And Evaluation Of Their Cytotoxic Activities, Sawssen Souiei, Fatima Bousejra-El Garah, Mohamed Amine Belkacem, Mansour Znati, Jalloul Bouajila, Hichem Ben Jannet Jan 2019

New Flavonoid Glycosides Conjugates: Synthesis, Characterization, And Evaluation Of Their Cytotoxic Activities, Sawssen Souiei, Fatima Bousejra-El Garah, Mohamed Amine Belkacem, Mansour Znati, Jalloul Bouajila, Hichem Ben Jannet

Turkish Journal of Chemistry

A series of novel halogenated 3-hydroxyflavones (3HFs) were prepared by reacting halogenated hydroxyacetophenones with the appropriate aromatic aldehyde. Glycosylation of 3HFs with acetobromoglucose and deprotection of the acetyl protective groups afforded the desired 3-$O$-flavonoids glycosides in satisfactory yields. All the prepared compounds were tested for their cytotoxic activity against HCT-116, MCF-7, and OVCAR-3 human cancer cell lines. The 3HFs exhibited higher cytotoxic activities compared with the glycosylated flavonoids. Overall, the structure-activity relationship study showed that the introduction of glycoside moiety at the C-3 OH position does not improve the bioactivity.


Acid-Activated Clay As Heterogeneous And Reusable Catalyst For The Synthesis Of Bioactive Cyclic Ketal Derivatives, Wided Hagui, Rym Essid, Sondes Amri, Nadia Fares, Mohamed Khabbouchi, Olfa Tabbene, Ferid Limam, Ezzedine Srasra, Neji Besbes Jan 2019

Acid-Activated Clay As Heterogeneous And Reusable Catalyst For The Synthesis Of Bioactive Cyclic Ketal Derivatives, Wided Hagui, Rym Essid, Sondes Amri, Nadia Fares, Mohamed Khabbouchi, Olfa Tabbene, Ferid Limam, Ezzedine Srasra, Neji Besbes

Turkish Journal of Chemistry

A new heterogeneous acid catalyst based on a natural resource, Tunisian clay (Clay-H0.5), has been prepared and characterized by FT-IR, FE-SEM, and powder X-ray diffraction (XRD), as well as chemical composition, cation exchange capacity, specific surface area, and pore volume. Acid treatment for 0.5 h enlarged the surface area from 78.24 to 186.10 m$^{2}$/g and pore volume (PV) from 0.186 to 0.281 cm$^{3}$/g. The catalytic activity of this material was investigated in ketalization reaction under mild solvent-free conditions. This achieved up to 92% isolated yield for only 10 wt.% of the catalyst. This environmentally friendly method has advantages such as …


Boric Acid As An Efficient And Green Catalyst For The Synthesis Of 2-Amino-4,6-Diarylnicotinonitrile Under Microwave Irradiation In Solvent-Free Conditions, Zahra Hosseinzadeh, Ali Ramazani, Nima Razzaghi-Asl, Katarzyna Slepokura, Tadeusz Lis Jan 2019

Boric Acid As An Efficient And Green Catalyst For The Synthesis Of 2-Amino-4,6-Diarylnicotinonitrile Under Microwave Irradiation In Solvent-Free Conditions, Zahra Hosseinzadeh, Ali Ramazani, Nima Razzaghi-Asl, Katarzyna Slepokura, Tadeusz Lis

Turkish Journal of Chemistry

Microwave irradiation has been used to improve the one-pot synthesis of substituted 2-amino-4,6-diarylnicoti- nonitrile in the presence of boric acid as an efficient and green catalyst under solvent-free conditions within 48--60 s. All the analogs that have not been reported previously were characterized by their melting points, IR, $^{1}$H NMR, and $^{13}$C NMR spectra. One of the structures was verified by the analysis of a single crystal. The reported synthetic procedure provided remarkable advantages such as short reaction times, excellent yield, facile workup, and the use of a green catalyst.


Design, Synthesis, And Evaluation Of The Antimycobacterial Activity Of 3-Mercapto-1,2,4-Triazole--Pyrrole Hybrids, Gheorghe Roman, Andra-Cristina Bostanaru, Valentin Nastasa, Mihai Mares Jan 2019

Design, Synthesis, And Evaluation Of The Antimycobacterial Activity Of 3-Mercapto-1,2,4-Triazole--Pyrrole Hybrids, Gheorghe Roman, Andra-Cristina Bostanaru, Valentin Nastasa, Mihai Mares

Turkish Journal of Chemistry

A series of 3-mercapto-1,2,4-triazole--pyrrole hybrids was designed as antimycobacterial agents by employing 5-(4-(1$H$-pyrrol-1-yl)phenyl)-4$H$-1,2,4-triazole-3-thiol as the scaffold onto which several types of moieties were introduced in the triazole ring at N-4 and N-2 and as substituents of the mercapto function. The aforementioned moieties are an allyl or a phenyl moiety at N-4; an aminomethyl group at N-2; or methyl, substituted benzyl, ethoxycarbonylmethyl, or substituted phenacyl at sulfur. Investigation of the compounds in the resulting library as growth inhibitors of Mycobacterium smegmatis showed that their minimum inhibitory concentration was higher than 64 mg/L.


An Exploration Of New Avenues Regarding Deep Tissue Penetration And Higher Singlet Oxygen Efficiencies: Novel Near-Ir Photosensitizers For Photodynamic Therapy, Ni̇sa Yeşi̇lgül, Bi̇lal Kiliç Jan 2019

An Exploration Of New Avenues Regarding Deep Tissue Penetration And Higher Singlet Oxygen Efficiencies: Novel Near-Ir Photosensitizers For Photodynamic Therapy, Ni̇sa Yeşi̇lgül, Bi̇lal Kiliç

Turkish Journal of Chemistry

A series of novel BODIPY-bearing electron-withdrawing groups at the meso position are reported here. According to the optical measurements, it may be clearly seen that the introduction of electron-donating groups into 3,5-positions and the presence of electron-withdrawing groups at the meso position of the BODIPY core resulted in spectacular bathochromic shifts (up to ∼ 304 nm), and the projected photosensitizers had absorption bands in the therapeutic window of the electromagnetic spectrum (600-900 nm). The absorption maxima of compounds 4,5,6, and 7 were at 886 nm, 890 nm, 760 nm, and 761 nm, respectively. The singlet oxygen generation experiments revealed that …


Intermolecular Complexes Of Halocyclopropenone Derivatives With The Hypohalous Acids Hof, Hocl, Hobr, And Hoi, Dariush Mirzaei, Abedien Zabardasti, Yaghoub Mansourpanah Jan 2019

Intermolecular Complexes Of Halocyclopropenone Derivatives With The Hypohalous Acids Hof, Hocl, Hobr, And Hoi, Dariush Mirzaei, Abedien Zabardasti, Yaghoub Mansourpanah

Turkish Journal of Chemistry

The intermolecular interactions between halocyclopropenone derivatives (HC$_{3}$OX; X $=$ I, Br, Cl, and F) and hypohalous acids (HOY; Y $=$ I, Br, Cl, and F) were studied via the MP2 method utilizing the aug-cc-pVTZ and aug-cc-pVTZ(-PP) basis sets. The three types of complexes were hydrogen bonds, halogen bonds, and complexes containing both hydrogen and halogen bonds. The results obtained indicated that interactions in the Type 1 complexes were stronger than those in Types 2 and 3. The H-O bonds revealed red shifts with complex formation in Types 1 and 2. The O-Y bonds displayed red shifts in the Type 3 …