Open Access. Powered by Scholars. Published by Universities.®
- Discipline
-
- Life Sciences (5474)
- Medicine and Health Sciences (3232)
- Social and Behavioral Sciences (2928)
- Physical Sciences and Mathematics (2653)
- Education (1844)
-
- Biology (1587)
- Engineering (1492)
- Arts and Humanities (1482)
- Law (1274)
- Psychology (793)
- Medical Specialties (767)
- Environmental Sciences (764)
- Higher Education (762)
- Animal Sciences (725)
- Medical Sciences (717)
- Chemistry (712)
- Biochemistry, Biophysics, and Structural Biology (647)
- Plant Sciences (628)
- Ecology and Evolutionary Biology (621)
- Sociology (454)
- Public Health (419)
- Microbiology (362)
- Biochemistry (346)
- History (346)
- Cell and Developmental Biology (341)
- Earth Sciences (340)
- Genetics and Genomics (329)
- Library and Information Science (319)
- Agriculture (313)
- Computer Sciences (310)
- Institution
-
- University of Nebraska - Lincoln (1473)
- University of South Florida (625)
- Brigham Young University (575)
- Purdue University (550)
- Louisiana State University (541)
-
- TÜBİTAK (538)
- City University of New York (CUNY) (484)
- University of Kentucky (472)
- Utah State University (413)
- Washington University School of Medicine (391)
- University of Montana (385)
- Virginia Commonwealth University (328)
- Clemson University (302)
- University of Rhode Island (287)
- University of Alabama at Birmingham (271)
- Nova Southeastern University (270)
- University of Malaya (270)
- University of Plymouth (265)
- Georgia Southern University (260)
- University of Central Florida (260)
- University of South Carolina (255)
- University of Arkansas, Fayetteville (253)
- University of Connecticut (243)
- California Polytechnic State University, San Luis Obispo (235)
- Wayne State University (235)
- Zucker School of Medicine at Hofstra/Northwell (235)
- Old Dominion University (229)
- Portland State University (229)
- University of New Mexico (228)
- University of New Hampshire (221)
- Keyword
-
- Humans (209)
- Animals (162)
- Education (156)
- Biology (143)
- Newspaper (141)
-
- Gender (134)
- Biological Sciences (130)
- Climate change (122)
- Female (112)
- 2014 (102)
- Cancer (94)
- Biological sciences (91)
- Research (91)
- Genetics (88)
- Ecology (85)
- Student newspaper (84)
- Male (82)
- Thomas Jefferson University (79)
- Evolution (77)
- Mice (75)
- Environment (73)
- Newsletter (72)
- Georgia Southern University (70)
- Sustainability (70)
- History (69)
- Obesity (69)
- Higher education (68)
- Psychology (68)
- Applied sciences (67)
- Children (66)
- Publication
-
- Theses and Dissertations (853)
- Electronic Theses and Dissertations (446)
- Faculty Publications (439)
- Open Access Publications (369)
- Journal Articles (271)
-
- Journal of Undergraduate Research (258)
- Dissertations (231)
- Master's Theses (224)
- USF Tampa Graduate Theses and Dissertations (222)
- Open Access Dissertations (221)
- Publications and Research (217)
- All Forum Articles (203)
- Open Access Theses (189)
- Student Works (2010-2019) (179)
- Dissertations, Theses, and Capstone Projects (158)
- Graduate Theses, Dissertations, and Problem Reports (ETD) (152)
- Honors Theses (152)
- Theses (152)
- Stony Brook Theses and Dissertations Collection, 2006-2020 (closed to submissions) (141)
- All ETDs from UAB (137)
- Doctoral Dissertations (137)
- Dartmouth Scholarship (136)
- University of Montana Course Syllabi (134)
- Graduate Theses and Dissertations (132)
- LSU Doctoral Dissertations (128)
- United States Department of Agriculture Wildlife Services: Staff Publications (119)
- Faculty Scholarship (118)
- LSU Master's Theses (118)
- Turkish Journal of Biology (118)
- Articles (109)
- Publication Type
- File Type
Articles 17551 - 17580 of 25871
Full-Text Articles in Entire DC Network
Fishes Of Eastern Washington: A Natural History, Volume 3, Allan T. Scholz, Josh Smith, Amanda Maifeld, Judy Mcmillan, Larry Conboy, Eastern Washington University. Department Of Biology., Eastern Washington University. University Graphics.
Fishes Of Eastern Washington: A Natural History, Volume 3, Allan T. Scholz, Josh Smith, Amanda Maifeld, Judy Mcmillan, Larry Conboy, Eastern Washington University. Department Of Biology., Eastern Washington University. University Graphics.
Biology Faculty Publications
Volume 3 of 4.
CHAPTER 14: FAMILY SALMONIDAE: SALMON, TROUT, CHARR, WHITEFISH AND GRAYLINGS, CHAPTER 15: FAMILY SALMONIDAE (SUBFAMILY COREGONINAE): WHITEFISH, CHAPTER 16: FAMILY SALMONIDAE (SUBFAMILY MONINAE): SALMON, TROUT AND CHARR, CHAPTER 17: FAMILY SALMONIDAE (SUBFAMILY THYMALLINAE): GRAYLINGS
Effects Of Polychlorinated Biphenyl (Pcb) Exposure On Response Perseveration And Ultrasonic Vocalization Emission In Rat During Development, Dena Krishnan, Howard C. Cromwell, Lee Meserve
Effects Of Polychlorinated Biphenyl (Pcb) Exposure On Response Perseveration And Ultrasonic Vocalization Emission In Rat During Development, Dena Krishnan, Howard C. Cromwell, Lee Meserve
Biological Sciences Faculty Publications
The 3 major symptoms of autistic spectrum disorders include 1) social behavioral alterations, 2) problems in communication and 3) higher-order motoric deficits of perseveration and stereotyped movements. Previous work has shown that early developmental exposure to polychlorinated biphenyls (PCBs) alters rat pup social motivation and juvenile rat social recognition/investigation. The present work extends this previous research by examining how perinatal PCB exposure alters motoric functions and communication abilities at different stages of development. Action perseveration was examined using performance measures from a T-maze environment. Communication abilities were evaluated by monitoring ultrasound emission in rat pups during a brief isolation from …
Central Coast Groundfish Species And Fillet Identification Manual, Robbie Milla
Central Coast Groundfish Species And Fillet Identification Manual, Robbie Milla
Agricultural Education and Communication
The purpose of this project was to create a manual that would aid fishermen and fish consumers in the successful identification of various groundfish species and their fillets. The manual was crafted with quality photographs to give the viewer a vivid depiction of the targeted groundfish species. The images were taken to specifically target the identification characteristics of each fish species. It was the hope of the author to educate anyone who was interested in the groundfish fishery. The manual includes: basic groundfish regulations, groundfish species identification, and groundfish fillet identification.
Land Management Practices And Their Effects On Grouse Populations Of The American Pacific Northwest, Connor Michael Pompa
Land Management Practices And Their Effects On Grouse Populations Of The American Pacific Northwest, Connor Michael Pompa
Natural Resources Management and Environmental Sciences
No abstract provided.
Uni Grad Student News, V9n3, January 2014, University Of Northern Iowa. Graduate College.
Uni Grad Student News, V9n3, January 2014, University Of Northern Iowa. Graduate College.
UNI Grad Student News
Inside this issue:
-- Message from the Dean
-- Upcoming Events
-- Graduate Student Profile: Jamie Minnaert-Grote
-- Graduate Faculty Profile: Dr. Rebecca Burkhardt
-- Graduate Alumni Profile: Ashlea Ahrenholtz
-- 7th Annual Graduate Student Symposium Fast Approaching
-- Current and Former Education Graduate Students Collaborate with Faculty on Publications and Presentations
-- Graduate Students Accepted for "20th TESOL Arabia Conference"
-- Thesis and Dissertation Spring Deadlines
-- Academic Learning Center Services for Graduate Students
-- Graduate College Staff and Contact Information
Little Evidence For Local Adaptation To Soils Or Microclimate In The Post-Fire Recruitment Of Three Californian Shrubs, Annette Bieger, Nishanta Rajakaruna, Susan Harrison
Little Evidence For Local Adaptation To Soils Or Microclimate In The Post-Fire Recruitment Of Three Californian Shrubs, Annette Bieger, Nishanta Rajakaruna, Susan Harrison
Biological Sciences
Background: Seedling recruitment following fire is an infrequent yet critical demographic transition for woody plants in Mediterranean ecosystems.
Aims: Here we examine whether post-fire seedling recruitment of three widespread Californian chaparral shrubs is affected by local adaptation within an edaphically and topographically complex landscape.
Methods: We reciprocally transplanted 6-month-old seedlings of Adenostema fasciculatum, Ceanothus cuneatus and Eriodictyon californicum to serpentine and sandstone soils, and cool northerly and warm southerly slopes.
Results: At the age of 2 years, none of the species manifested higher survival or growth on ‘home’ compared with ‘away’ soils or slopes, indicating an absence of local …
The Role Of Elevation And Soil Chemistry In The Distribution And Ion Accumulation Of Floral Morphs Of Streptanthus Polygaloides Gray (Brassicaceae), A Californian Nickel Hyperaccumulator, Nathaniel S. Pope, Michael Fong, Robert S. Boyd, Nishanta Rajakaruna
The Role Of Elevation And Soil Chemistry In The Distribution And Ion Accumulation Of Floral Morphs Of Streptanthus Polygaloides Gray (Brassicaceae), A Californian Nickel Hyperaccumulator, Nathaniel S. Pope, Michael Fong, Robert S. Boyd, Nishanta Rajakaruna
Biological Sciences
Background: The flora of serpentine/ultramafic soils provides an excellent model system for the study of natural selection in plant populations. Streptanthus polygaloides is a nickel hyperaccumulator that is endemic to serpentine soils in the Sierra Nevada of California, and has four floral morphs (yellow, purple, yellow-to-purple and undulate).
Aims: We investigate three hypotheses: (1) the purple morph occurs in colder, wetter climates than the yellow morph; (2) tissue–soil ionic relationships differ among morphs; and (3) morphs occur on soils with differing elemental concentrations.
Methods: We queried herbarium records to investigate patterns of occurrence among the yellow and purple floral morphs, …
The College Of Pharmacy, South Dakota State University
The College Of Pharmacy, South Dakota State University
Jackrabbits Script and Scope (Formerly called College of Pharmacy and Allied Health Professions Magazine)
[Page] 2 Looking back In 1888-89, the first two-year pharmacy course was being offered at what was then called the Ag College. A six-page review catches some of the highlights of the past 125 years.
[Page] 8 From collector to museum owner Curtis Haggar ’71 started collecting pharmacy artifacts during his internship. In July 2009, he opened a museum in Ouray, Colo., for his collection.
[Page] 10 Medication safety Distinguished Alumnus Marsha Raebel ’76 addresses fall convocation.
[Page] 12 Graduate Student of the Year Monzurul Roni, a native of India working in the lab of Shafiqur Rahman, is this year’s …
South Dakota State Jackrabbits Cross Country 2014 Media Guide, South Dakota State University
South Dakota State Jackrabbits Cross Country 2014 Media Guide, South Dakota State University
Jackrabbit Cross Country Media Guides (2012-2014)
Prospectus [page] 2
Rosters [page] 3
Coaching Staff [page] 4
2014 Preview. [page] 5
2013 Statistics [page] 6
Jackrabbit Men [page] 7
Jackrabbit Women [page] 12
Men’s History [page] 19
Women’s History [page] 20
NCAA Midwest Regional Results [page] 21
Summit League Championship Results [page] 22
Summit League Information [page] 23
Jackrabbit Sports Hall of Fame Members [page] 24
South Dakota State University [page] 25
Administration [page] 27
Media Outlets and Information [page] 28
The Unseen World: Environmental Microbial Sequencing And Identification Methods For Ecologists, Naupaka B. Zimmerman, J. Izard, C. Klatt, J. Zhou, E. Aronson
The Unseen World: Environmental Microbial Sequencing And Identification Methods For Ecologists, Naupaka B. Zimmerman, J. Izard, C. Klatt, J. Zhou, E. Aronson
Biology Faculty Publications
Microorganisms inhabit almost every environment, comprise the majority of diversity on Earth, are important in biogeochemical cycling, and may be vital to ecosystem responses to large-scale climatic change. In recent years, ecologists have begun to use rapidly advancing molecular techniques to address questions about microbial diversity, biogeography, and responses to environmental change. Studies of microbes in the environment generally focus on three broad objectives: determining which organisms are present, what their functional capabilities are, and which are active at any given time. However, comprehending the range of methodologies currently in use can be daunting. To provide an overview of environmental …
2014 President's Higher Education Community Service Honor Roll, Uno Office Of Academic Affairs
2014 President's Higher Education Community Service Honor Roll, Uno Office Of Academic Affairs
Community Engagement Award Applications
Program Purpose: The President’s Higher Education Community Service Honor Roll recognizes higher education institutions that reflect the values of exemplary community service and achieve meaningful outcomes in their communities. The Honor Roll is part of the Corporation for National and Community Service’s strategic commitment to engage millions of college students in service and celebrate the critical role of higher education in strengthening communities. The President’s Interfaith and Community Service Campus Challenge is a parallel national initiative that was launched in 2011, based on recommendations from President Obama’s inaugural Advisory Council on Faith-based and Neighborhood Partnerships. Administered by The White House …
Sla P-16 Initiative, Volume 4, Issue 2, Spring 2014, University Of Nebraska Omaha, Service Learning Academy
Sla P-16 Initiative, Volume 4, Issue 2, Spring 2014, University Of Nebraska Omaha, Service Learning Academy
SLA Newsletters
No abstract provided.
Additional Lichen Records And Mineralogical Data From Metal-Contaminated Sites In Maine, Ian D. Medeiros, Alan M. Fryday, N. Rajakaruna
Additional Lichen Records And Mineralogical Data From Metal-Contaminated Sites In Maine, Ian D. Medeiros, Alan M. Fryday, N. Rajakaruna
Biological Sciences
Geochemistry and mineralogy of rocks play important roles in the occurrence of individual lichen species and assembly of lichen communities. Whereas lichens of metal-enriched settings have been a focus of study for many decades, only a few such lichen inventories exist for North America. We reexamined the lichen biota of Pine Hill, a serpentine outcrop on Little Deer Isle, Maine and Callahan Mine, a copper-and zinc-enriched Superfund site in Brooksville, Maine by conducting additional field surveys and reexamining unidentified taxa from previous collections. To better characterize the substrates upon which the lichens were found, we conducted elemental analyses via x-ray …
Effectiveness Of Treatments For Low Back Pain, Angela K. Salveson
Effectiveness Of Treatments For Low Back Pain, Angela K. Salveson
Physician Assistant Scholarly Project Posters
Low back pain with or without radiculopathy symptoms is increasingly becoming a common complaint for patients. The purpose of this study is to evaluate the most effective treatment for patients experiencing low back pain with or without radiculopathy symptoms with the goal of pain reduction/elimination and positive long term results. The review of literature explores studies that discuss treatment options of surgical intervention or conventional treatment such as physical therapy. This information supplies health care providers with the tools to educate patients on treatment options and possible outcomes in hopes to offer the best treatment for the individual. Results show …
Synthesis Of Fluorescent Molecules And Their Applications As Viscosity Sensors, Metal Ion Indicators, And Near-Infrared Probes, Mengyuan Wang
Synthesis Of Fluorescent Molecules And Their Applications As Viscosity Sensors, Metal Ion Indicators, And Near-Infrared Probes, Mengyuan Wang
Electronic Theses and Dissertations
The primary focus of this dissertation is the development of novel fluorescent near-infrared molecules for various applications. In Chapter 1, a compound dU-BZ synthesized via Sonogashira coupling reaction methodology is described. A deoxyuridine building block was introduced to enhance hydrophilic properties and reduce toxicity, while an alkynylated benzothiazolium dye was incorporated for near-IR emission and reduce photodamage and phototoxicity that is characteristic of common fluorphores that are excited by UV or visible light. A 30-fold enhancement of fluorescence intensity of dU-BZ was achieved in a viscous environment. Values of fluorescence quantum yields in 99% glycerol/1% methanol (v/v) of varying temperature …
News & Notes, Winter 2014, Isabelle Farrington College Of Education
News & Notes, Winter 2014, Isabelle Farrington College Of Education
News & Notes
Over the last six months, the Isabelle Farrington College of Education has been adding new programs and improving existing ones. These include cross-endorsement in Comprehensive Special Education for certified teachers in Connecticut. We are also gearing up for an Ed.D. strand in Higher Education to begin fall 2015. Designed for working professionals, this program prepares them for careers in higher education administration, as well as for teaching roles within post-secondary and corporate environments. Our second strand of the Ed.D. Program is in PK-12 educational leadership. This strand, which includes Connecticut Superintendent (093) certification, is slated to begin fall 2016, pending …
First Look 2014, Nova Southeastern University
Horizons Spring 2014, Nova Southeastern University
Horizons Spring 2014, Nova Southeastern University
Horizons
Features
- Learning by Teaching 4
- Going Global 12
- Palm Beach Campus 17
- Cultural Diversity 22
- Donors Advance Goal to Increase Scholarship Support 30
- Distinguished Alumni Awards 31
- Virtual Healing 35
- Monument Honors Fellows Society 38
Departments
- President’s Message 2
- Around NSU
- Building NSU ’s Future 3
- Royal Dames Supports Cancer Research 10
- College of Dental Medicine Dean, Professor Honored 11
- Travisano Gets Glass Ceiling Award 21
- Celebration of Excellence 25
- NSU Researcher Receives U.S. Patent 29
- Fletcher Named First Schemel Professor 44
- Chief Information Officer in Top 100 CIOs 44
- Bruce Rogow Honored 44
- Raymond Ownby 24
- Nicole …
Wellness Made Simple - 2014, Nova Southeastern University
Wellness Made Simple - 2014, Nova Southeastern University
Wellness Made Simple
No abstract provided.
Bride And Prejudice: How U.S. Immigration Law Discriminates Against Spousal Visa Holders, Sabrina Balgamwalla
Bride And Prejudice: How U.S. Immigration Law Discriminates Against Spousal Visa Holders, Sabrina Balgamwalla
Law Faculty Research Publications
No abstract provided.
University Of Texas At Tyler Catalog, 2014 - 2015, University Of Texas At Tyler
University Of Texas At Tyler Catalog, 2014 - 2015, University Of Texas At Tyler
Catalogs
No abstract provided.
Filarial Nematode Infection In Ixodes Scapularis Ticks Collected From Southern Connecticut, Pabbati Namrata, Jamie M. Miller, Madari Shilpa, Patlolla Raghavender Reddy, Cheryl Bandoski,, Michael J. Rossi, Eva Sapi
Filarial Nematode Infection In Ixodes Scapularis Ticks Collected From Southern Connecticut, Pabbati Namrata, Jamie M. Miller, Madari Shilpa, Patlolla Raghavender Reddy, Cheryl Bandoski,, Michael J. Rossi, Eva Sapi
Biology and Environmental Science Faculty Publications
It was recently demonstrated that the lone star tick Amblyomma americanum could harbor filarial nematodes within the genus Acanthocheilonema. In this study, Ixodes scapularis (deer) ticks collected from Southern Connecticut were evaluated for their potential to harbor filarial nematodes. Non-engorged nymphal and adult stage Ixodes scapularis ticks were collected in Southern Connecticut using the standard drag method. In situ hybridization with filarial nematode specific sequences demonstrated the presence of filarial nematodes in Ixodes ticks. Filarial nematode specific DNA sequences were amplified and confirmed by direct sequencing in Ixodes nymphal and adult ticks using either general filarial nematode or Onchocercidae family …
Analysis Of A Chemical Model System Leading To Chiral Symmetry Breaking: Implications For The Evolution Of Homochirality, Brandy N. Morneau, Jaclyn M. Kubala, Carl Barratt, Pauline Schwartz
Analysis Of A Chemical Model System Leading To Chiral Symmetry Breaking: Implications For The Evolution Of Homochirality, Brandy N. Morneau, Jaclyn M. Kubala, Carl Barratt, Pauline Schwartz
Chemistry and Chemical Engineering Faculty Publications
Explaining the evolution of a predominantly homochiral environment on the early Earth remains an outstanding challenge in chemistry. We explore here the mathematical features of a simple chemical model system that simulates chiral symmetry breaking and amplification towards homochirality. The model simulates the reaction of a prochiral molecule to yield enantiomers via interaction with an achiral surface. Kinetically, the reactions and rate constants are chosen so as to treat the two enantiomeric forms symmetrically. The system, however, incorporates a mechanism whereby a random event might trigger chiral symmetry breaking and the formation of a dominant enantiomer; the non-linear dynamics of …
Biotechnology: Can The Transatlantic Trade And Investment Partnership Reconcile Eu And Us Differences On Gmos?, Claude Chereau
Biotechnology: Can The Transatlantic Trade And Investment Partnership Reconcile Eu And Us Differences On Gmos?, Claude Chereau
Economics & Business Analytics Faculty Publications
The US and EU have announced negotiations for a free trade agreement to be completed by end of 2014. While tariff barriers between the two entities are limited, their trade is encumbered with non-tariff barriers (NTBs), one of them being their diverging approach to genetically modified organisms (GMOs) in the agriculture and food industries. The US operates from a science-based perspective while the EU relies on the precautionary principle. This paper reviews the developments of GMOs in both the US and EU and draws on measures outlined in international organizations and recent trade agreements to explore options for the US …
Optimal Dredge Fleet Scheduling Within Environmental Work Windows, Heather Nachtmann, Kenneth N. Mitchell, Chase Rainwater, Ridvan Gedik, Edward A. Pohl
Optimal Dredge Fleet Scheduling Within Environmental Work Windows, Heather Nachtmann, Kenneth N. Mitchell, Chase Rainwater, Ridvan Gedik, Edward A. Pohl
Mechanical and Industrial Engineering Faculty Publications
The U. S. Army Corps of Engineers oversees dredging in hundreds of navigation projects annually, through its fleet of government equipment and through individual contracts with private industry. The research presented here sought to examine the decision to allocate dredge resources to projects systemwide under necessary constraints. These constraints included environmental restrictions on when dredging could take place in response to the migration patterns of turtles, birds, fish, and other wildlife; dredge equipment resource availability; and varying equipment productivity rates that affected project completion times. The paper discusses problem definition and model formulation of optimal dredge fleet scheduling within environmental …
Ua41 University College Connection, Dennis K. George, Dean, Wendi Kelley, University College, Western Kentucky University
Ua41 University College Connection, Dennis K. George, Dean, Wendi Kelley, University College, Western Kentucky University
UC Publications
No abstract provided.
Complexation Of N So2 Molecules (N=1,2,3) With Formaldehyde And Thioformaldehyde, L. M. Azofra, Steve Scheiner
Complexation Of N So2 Molecules (N=1,2,3) With Formaldehyde And Thioformaldehyde, L. M. Azofra, Steve Scheiner
Chemistry and Biochemistry Faculty Publications
Ab initio and density functional theory calculations are used to examine complexes formed between H2CO and H2CS with 1, 2, and 3 molecules of SO2. The nature of the interactions is probed by a variety of means, including electrostatic potentials, natural bond orbital, atoms in molecules, energy decomposition, and electron density redistribution maps. The dimers are relatively strongly bound, with interaction energies exceeding 5 kcal/mol. The structures are cyclic, containing both a O/S⋯S chalcogen bond and a CH⋯O H-bond. Addition of a second SO2 molecule leads to a variety of heterotrimer structures, most of which resemble the original dimer, where …
Complexes Containing Co2 And So2. Mixed Dimers, Trimers And Tetramers, L. M. Azofra, Steve Scheiner
Complexes Containing Co2 And So2. Mixed Dimers, Trimers And Tetramers, L. M. Azofra, Steve Scheiner
Chemistry and Biochemistry Faculty Publications
Mixed dimers, trimers and tetramers composed of SO2 and CO2 molecules are examined by ab initio calculations to identify all minimum energy structures. While AIM formalism leads to the idea of a pair of C···O bonds in the most stable heterodimer, bound by some 2 kcal mol(-1), NBO analysis describes the bonding in terms of charge transfer from O lone pairs of SO2 to the CO π* antibonding orbitals. The second minimum on the surface, just slightly less stable, is described by AIM as containing a single O···O chalcogen bond. The NBO picture is that of two transfers in opposite …
Interaction Between Temozolomide And Water: Preferred Binding Sites, O. E. Kasende, A. Matondo, M. Muzomwe, J. T. Muya, Steve Scheiner
Interaction Between Temozolomide And Water: Preferred Binding Sites, O. E. Kasende, A. Matondo, M. Muzomwe, J. T. Muya, Steve Scheiner
Chemistry and Biochemistry Faculty Publications
Computational methods are used to predict the most favorable site of temozolomide towards attack by a water molecule. The energetics of the various complexes are presented as well as their geometries, including perturbations of each subunit caused by the presence of the other. Molecular electrostatic potential and Natural Bond Orbital (NBO) data are used to understand the interactions which conclude the terminal amide group is the preferred attack site where water can act as simultaneous proton donor and acceptor. Other potential proton acceptor N atoms within the aromatic ring structure represent weaker binding sites. Some of the less strongly bound …
Substituent Effects In The Noncovalent Bonding Of So2 To Molecules Containing A Carbonyl Group. The Dominating Role Of The Chalcogen Bond, L. M. Azofra, Steve Scheiner
Substituent Effects In The Noncovalent Bonding Of So2 To Molecules Containing A Carbonyl Group. The Dominating Role Of The Chalcogen Bond, L. M. Azofra, Steve Scheiner
Chemistry and Biochemistry Faculty Publications
The SO2 molecule is paired with a number of carbonyl-containing molecules, and the properties of the resulting complexes are calculated by high-level ab initio theory. The global minimum of each pair is held together primarily by a S···O chalcogen bond wherein the lone pairs of the carbonyl O transfer charge to the π* antibonding SO orbital, supplemented by smaller contributions from weak CH···O H-bonds. The binding energies vary between 4.2 and 8.6 kcal/mol, competitive with even some of the stronger noncovalent forces such as H-bonds and halogen bonds. The geometrical arrangement places the carbonyl O atom above the plane of …