14th Southern School on Computational Chemistry and Materials Science Conference
14th Southern School on Computational Chemistry and Material Science
Organizing Committee
Jerzy Leszczynski (Chairman)
Jackson State University
Paresh Ray (Co-Chairman)
Jackson State University
Hongtao Yu (Co-Chairman)
Jackson State University
Staff
Shonda Allen
Jackson State University
Sandra Hall
Jackson State University
Galina Lobodina
Jackson State University
Maxine Simpson
Jackson State University
Candilyn Tenner
Jackson State University
Support
_______________________________________________________________________________
National Science Foundation (CREST)
National Science Foundation (EPSCoR)
National Science Foundation (PREM)
National Science Foundation (REU)
National Institute of Health (RISE)
Office of Naval Research
14th Southern School on Computational Chemistry and Materials Science Conference
Schedule of Events
Thursday July 24th, 2014
Concurrent Sessions
Summer Program Presentations
8:30 A.M. – 11:30 A.M.
Registration
11:00 A. M. – 4:00 P.M.
LUNCH
11:30 A.M. – 1:00 P.M.
1:00 P.M. – 1:40 P.M.
1st Session
PREM, REU & other
Summer Participants
Ken L Knappenberger
1:40 P. M. – 2:05 P.M.
Xiaohua Huang
2:05 P.M. – 2:30 P.M
Tigran Shahbazyan
2:30 P.M. – 2:55 P.M.
Paresh Ray
Chair: Wolfgang H Kramer
Break
2nd Session
Chair: Andrzej Sygula
2:55 P. M. – 3:15 P.M.
3.15 P. M. – 3:40 P.M.
Keisha Walters
3:40 P.M. – 4:05 P.M.
Yongmei Wang
4:05 P.M. – 4:30 P.M.
Ritesh Tandon
4:30 P.M. – 4:55 P.M.
Randy Mack Wadkins
4:55 P.M. – 5:20 P.M
Fengwei Bai
Poster Session
Chair: Hongtao Yu
Banquet
5:30 P.M. – 7:00 P.M.
7:00 P.M. – 9:00 P.M.
14th Southern School on Computational Chemistry and Material Science
Schedule of Events
Friday July 25th , 2014
Continental Breakfast
8:00 A.M.- 8:30 A.M.
8:30 A. M. – 9:10 A. M.
Henry Ashbaugh
9:10 A. M. – 9:35 A. M.
Gregory Tschumper
9:35 A.M. – 10:00 A.M
Wolfgang H. Kramer
3rd Session
14th Southern School on Computational Chemistry and Materials Science Conference
Concurrent Sessions of PREM, REU, RET, & CREST PROGRAMS
th
Thursday July 24 , 2014
Chair: Ifedayo Victor Ogungbe
A.M. –in
10:25
A.M (NSF PREM)
Bidisha Sengupta
Partnership for Research &10:00
Education
Materials
Research Experiences for Undergraduates (NSF REU)
Summer Research Experience (NSF CAREER)
Senate Chamber - JSU Student Center-3rd Floor
Coffee Break
Continental
Breakfast
4th Session
10:25
A.M.
– 10:45
8:00
A.M.
– 8:30
A.M.A.M.
10:45 A.M. – 11:10 A.M.
Andrzej Sygula
11:10 A.M. – 11:35 A.M.
David Wipf
11:35 A.M. – 12:00 P.M.
Vijay Rangachari
12:00 P.M. – 12:25 P.M.
Ifedayo Victor Ogungbe
Chair: Ashton Hamme
Lunch & Closing
12:25 P.M – 2:00 P.M.
14th Southern School on Computational Chemistry and Material Science
Session I
Student Oral Presentations
(Pre-College)
8:30 A.M. – 9:45 A.M.
Moderators: Denise Yancey and Zachary Glenn
Break
9:45 A.M. – 10:00 A.M.
Session II
Student Oral Presentations
REU/RET Summer Symposium
Azmain Alamgir
Amber Davidson
April Dixon
Markie'sha James
Chinyere D. Jones
Najla Muhammad
Aemal Nafis
Bethany Neyland
Kimberly Robinson
Xi Wang
10:00 A.M. – 12:00 P.M.
Moderators: Rebecca Crouch & Maryam Khansari
Robert L. Bolhefner
Dawei Chen
Jasmine Douglas
Veronica Gonzalez
Brittany Hallmark
LaTonya Hayes
Sabrieon Sanders
Nicholas Westcott
Michelle Robinson
Center of Research Excellence In Science and Technology (NSF CREST)
Theatre -JSU Student Center- 3rd Floor
High School - Junior Computational
Chemists Session
Group Presentation
11:00 A.M. – 11:30 A.M.
Eronisha Banks, Mya Brown,
Meshanna Marzette, Aya
Brown, Nicholas Norwood,
Daja Carson, Cortez Hart,
Destiny Ford, Erin Coverson,
Myuna McNair,
Creda Morgan
14th Southern School on Computational Chemistry and Materials Science Conference
Invited Speakers
1st Session
Ken L Knappenberger
Florida State University
Optical Properties and Electron Dynamics in Structurally Precise
Metal Nanostructures
Xiaohua Huang
University of Memphis
Gold and Magnetic Hybrid Nanoparticles: Properties and
Applications in Cancer Medicine
Tigran Shahbazyan
Jackson State University
Cooperative Energy Transfer in Plasmonic Systems
Paresh Ray
Jackson State University
Theranostic Graphene Oxide for Cancer
2nd Session
Keisha Walters
Mississippi State University
Polymer-Metal Nanoparticle Composites: Incorporation of Janus,
Magnetic, Stimuli Responsive, and/or Reversible Agglomeration
Features
Yongmei Wang
University of Memphis
14th Southern School on Computational Chemistry and Material Science
Computational Studies of Nanoparticles: Optical Properties, Magnetic
Trapping and Transport through Microfluidic Channels
Invited Speakers
nd
2 Session (cont.)
Ritesh Tandon
University of Mississippi Medical Center
Bioconjugated gold nanoparticles for the inhibition of human
cytomegalovirus infection
Randy Mack Wadkins
University of Mississippi
Is DNA the perfect biological nanomaterial?
Fengwei Bai
University of Southern Mississippi
When gold-nanoparticles meet viruses, Sparks ?!
3rd Session
Henry Ashbaugh
Mississippi State University
Adventures in the Hydrophobic Effect
Gregory Tschumper
University of Mississippi
Vibrational frequencies for hydrogen bonded clusters: The need for
and a route to benchmark computations approaching the CCSD(T)
complete basis set limit
14th Southern School on Computational Chemistry and Materials Science Conference
Wolfgang H. Kramer
Millsaps College
Applications of the Photochemistry of N-Substituted Heteroaromatic
Salts
Invited Speakers
rd
3 Session (cont.)
Bidisha Sengupta
Tougaloo College
B-DNA and beyond: Alternate DNA Structures in Nanomaterials
4th Session
Andrzej Sygula
Mississippi State University
A Perfect Catch: Engineering the Tether of the Molecular Receptors
with Corannulene Pincers
David Wipf
Mississippi State University
Synthesis and Evaluation of an Iron Carbide/Carbon Composite for
use as a Supercapacitor Material
Vijay Rangachari
University of Southern Mississippi
Self-propagation of Amyloid-b oligomers in Alzheimer’s disease
Ifedayo Victor Ogungbe
Jackson State University
14th Southern School on Computational Chemistry and Material Science
Using Cheminfomatics to Decipher the Molecular Targets of Dietary
Polyphenols
Contents
for
Abstracts
14th Southern School on Computational Chemistry and Materials Science Conference
P = Poster Session #
S = Speaker
P1
P2
P3
S
S
ASSESSMENT OF INTERACTIONS BETWEEN FULLERENE NANOPARTICLES
AND BIOLOGICAL TARGETS: A COMPUTATIONAL STUDY
Lucky Ahmed, Bakhtiyor Rasulev, and Jerzy Leszczynski
THEORETICAL STUDIES OF DIPODAL UREA AND THIOUREA RECEPTORS
FOR OXOANIONS
Azmain Alamgir,1 Jing Wang,2 Jerzy Leszczynski2, and Md. Alamgir Hossain2
QSAR MODELING OF ANTICANCER ACTIVITY BASED ON NCI PROTOCOLS
OF QUINAZOLINE DERIVATIVES
O.M. Antypenko1, B. Rasulev2, S.I. Kovalenko1, O.Yu. Voskoboynik1
and J. Leszczynski2
ADVENTURES IN THE HYDROPHOBIC EFFECT
Henry Ashbaugh
WHEN GOLD-NANOPARTICLES MEET VIRUSES, SPARKS ?!
Fengwai Bai
14th Southern School on Computational Chemistry and Material Science
P4
SYNTHESIS AND COLORIMETRIC SENSING OF 3-THIOPHENE BASED
TRIPODAL AMINES AND THEIR COPPER(II) COMPLEXES FOR ANIONS
Robert Bolhofner, Syed Haque, Md. Alamgir Hossain
P5
HIGHLY EFFICIENT AND EXCITATION TUNABLE TWO-PHOTON
LUMINESCENCE PLATFORM FOR TARGETED MULTI-COLOR MDRB
IMAGING USING GRAPHENE OXIDE
Suhash Reddy Chavva, Avijit Pramanik, Zhen Fan, Sudarson Sekhar Sinha, and Paresh
Chandra Ray*
P6
THEORETICAL STUDIES ON FUNCTIONALIZED GRAPHENE-METAL CLUSTER
INTERACTIONS
Dawei Chen, Christopher Copeland, Devashis Majumdar, and Jerzy Leszscynski
P7
LIPOSOME-NANOPARTICLE HYBRIDS FOR COMBINED PHOTOTHERMAL
AND CHEMOTHERAPY APPLICATIONS
Rebecca A. Crouch, Brittany L. Hallmark, and Paresh C. Ray*
P8
EFFICIENT AND CONCISE SYNTHESIS OF SPIRO-ISOXAZOLINE: FIRST
TOTAL SYNTHESIS OF 11-DEOXYFISTULARIN-3
Prasanta Das,a and Ashton T. Hamme IIa*
P9
BINDING OF FLAVONOIDS WITH THEIR TARGETS: A SPECTROSCOPIC AND
COMPUTATIONAL STUDY
Jasmine Davis, Faren White, Rakeen Zamen and Bidisha Sengupta
P10 SWCNT-GOLD NANOROD CONJUGATES FOR POTENTIAL APPLICATION IN
TARGETED PHOTOTHERMAL THERAPY OF CANCER CELLS
April Dixon, Bhanu Priya Viraka Nellore, and Ashton T. Hamme II
P11 ADSORPTION STUDY OF CESIUM, STRONTIUM AND COBALT ON IRON (III)
AND MANGANESE OXIDES UNDER VARIOUS BIOGEOCHEMICAL
CONDITIONS
1
Ruipeng Dong, 1Leondra S. Lawson, 1Fengxiang X. Han, 2Christian Rogers, 1Zikri Arslan and
1
Hongtao Yu
P12
DEVELOPMENT AND TESTING OF GRAPHENE OXIDE AS
P = Poster Session #
ELECTROCHEMICAL SENSOR
S = Speaker
Jasmine R. Douglas1, A.B.M. Zakaria2, and Danuta Leszczynska1
P13 BINDING AND EXTRACTION STUDIES OF SULFATE BY A TRIPODAL TRIS
THIOUREA RECEPTOR
Maryam Emami Khansari1 , Douglas R. Powell2 and Md. Alamgir Hossain1
P14 SERS-BASED HYBRID NANOSTRUCTURES FOR DETECTION AND
QUANTIFICATION OF PATHOGENS
Veronica Gonzalez-Fernandez, Thomas J. Ondera and Ashton T. Hamme II*
P15 THE ADSORPTION OF CS, CO AND SR VIA MODIFIED MESOPOROUS
MATERIALS
Kai Guo, Fengxiang X. Han, Zikri Arslan, and Hongtao Yu
P16 IPOSOME-NANOPARTICLE HYBRIDS FOR COMBINED PHOTOTHERMAL AND
CHEMOTHERAPY APPLICATIONS
Brittany L. Hallmark, Rebecca A. Crouch, and Paresh C. Ray*
P17 HALIDE BINDING BY A NOVEL CLASS OF THIOPHENE BASED SYNTHETIC
RECEPTORS
Syed Ataul Haque1, Douglas R. Powell2 and Md. Alamgir Hossain1
14th Southern School on Computational Chemistry and Materials Science Conference
SYNTHESIS OF COPPER(II) IMMOBILIZED
SUPERPARAMAGNETIC NANOPARTICLES AS A SORBENT FOR ENRICHMENT OF
PEPTIDES
LaTonya Hayes, Alexis Ellis, and Yiming Liu
P19 INVESITGATION OF PHOTOTOXICITIES OF SULFUR-DOPED
TIO2 NANOPARTICLES TO ZEBRAFISH EMBRYOS (DANIO RERIO)
Xiaojia He, Winfred G. Aker, and Huey-Min Hwang*
S
GOLD AND MAGNETIC HYBRID NANOPARTICLES: PROPERTIES AND
APPLICATIONS IN CANCER MEDICINE
Xiaohua Huang
P20 THE INFLUENCE OF THE SIZE ON THE ELECTRONIC PROPERTIES OF THE
NANOMETER-SIZED METAL OXIDES
K. Jagiello1, A. Avramopoulos2, B.Chomicz1, A.Gajewicz1, M.Papadopoulos2, and T. Puzyn1
P21 EFFECT OF CHAIN LENGTH AND CHAIN NUMBER OF COATING AGENTS ON
CELL TOXICITY
Markie'Sha James, Dr. Hongtao Yu, and Ying Zhang
P22 BINDING AND SENSING OF CITRATE ANION WITH A THIOPHENE-BASED
DINUCLEAR COPPER(II) COMPLEX IN WATER
Chinyere Jones,1 Md. Azmain Alamgir,2 Md Mhahabubur Rhaman,3 Douglas R. Powell4 and
Md. Alamgir Hossain3
P23 MULTIFUNCTIONAL HYBRID GRAPHENE OXIDE FOR LABEL-FREE
DETECTION OF MALIGNANT MELANOMA FROM INFECTED BLOOD
Rajashekhar Kanchanapally, Zhen Fan, Anant Kumar Singh, Sudarson Sekhar Sinha and
Paresh Chandra Ray
…Π INTERACTIONS OF ACETYLENE AND
P24 COMPUTATIONAL STUDY
DIACETYLENE WITH METHYL- AND FLUORO-SUBSTITUTED BENZENE
Md Mehedi Hasan Khan, Tandabany C. Dinadayalane, and Jerzy Leszczynski
SP = Poster
OPTICAL
PROPERTIES AND ELECTRON DYNAMICS IN STRUCTURALLY
Session #
PRECISE
METAL
NANOSTRUCTURES
S = Speaker
Kenneth L. Knappenberger, Jr.
S
APPLICATIONS OF THE PHOTOCHEMISTRY OF N-SUBSTITUTED
HETEROAROMATIC SALTS
Wolfgang H. Kramer*, Lauren M. Hoth, Priya P. Patel, Courtney B. Mullins, GeNita N.
Finley, Muzamil A. Khawaja, Irene S. Corrao, Emily H. Stewart, and B. Woods Curry
P25 SWCNT HYBRID POPCORN SHAPE IRON CORE GOLD SHELL
MULTIFUNCTIONAL NANOPARTICLE FOR TARGETED MAGNETIC
SEPARATION & ENRICHMENT, LABEL-FREE SERS IMAGING AND PHOTO
THERMAL DESTRUCTION OF MULTI DRUG RESISTANCE SALMONELLA
Yunfeng Lin1, and Ashton T Hamme II1
P26 NANO-QSPR APPROACH: TOWARDS UNDERSTANDING MECHANISM OF THE
AGGLOMERATION PHENOMENON OF METAL OXIDE NANOPARTICLES
A. Mikolajczyk1*, A. Gajewicz1, N. M. Schaeublin2, S. M. Hussain2, B. Rasulev3, J.
Leszczynski3, and T. Puzyn1
P27 EFFECT OF FUNCTIONALIZATION OF BENZENE BY NAPHTHYL AND PHENYL
RINGS
ON CATION-π INTERACTIONS: A THEORETICAL STUDY
P18
14th Southern School on Computational Chemistry and Material Science
Ali Mirchi, Tandabany C. Dinadayalane, and Jerzy Leszczynski
P28
ENHANCED KILLING OF MULTIDRUG RESISTANT SALMONELLA DT104
BACTERIA USING SILVER NANOPARTICLES COMBINED WITH
TETRACYCLINE
Najla Muhammad, Danielle McShan, and Hongtao Yu*
P29 ANALYSIS OF THE DNA-CLEAVING EFFICIENCIES OF BIFUNCTIONAL
HETEROAROMATIC SALTS
Courtney B. Mullins, Gurjit Kaur, Lauren M. Hoth, B. Woods Curry, Emily H. Stewart,
Jonathan P. Giurintano, and Wolfgang H. Kramer*
P30 DESIGN, SYNTHESIS AND ANION BINDING STUDIES OF A NOVEL THIOUREABASED RECEPTOR AS AN ANION CHELATING LIGAND
Aemal Nafis1, Maryam Emami Khansari2 and Md. Alamgir Hossain2*
P31 RAPID DETECTION OF MRSA BACTERIA USING GRAPHENE OXIDEANTIBODY CONJUGATES
Bethany Neyland, Suhash Chavva, Avijit Pramanik, and Paresh C. Ray*
S
USING CHEMINFOMATICS TO DECIPHER THE MOLECULAR TARGETS OF
DIETARY POLYPHENOLS
Ifedayo Victor Ogungbe
P32 GOLD NANOPOPCORN ATTACHED SINGLE-WALLED CARBON NANOTUBE
HYBRID FOR RAPID DETECTION AND PHOTOTHERMAL KILLING OF
BACTERIA
Thomas J. Ondera and Ashton T. Hamme II*
P33 EXTREMELY HIGH TWO-PHOTON ABSORBING GRAPHENE OXIDE FOR
IMAGING OF TUMOR CELLS IN THE SECOND BIOLOGICAL WINDOW
A. Pramanik, S. R. Chavva, Z. Fan, S. S. Sinha, B. P. V. Nellore, P. C. Ray
P34 APTAMER-CONJUGATED THERANOSTIC HYBRID GRAPHENE OXIDE WITH
HIGHLY SELECTIVE BIOSENSING AND COMBINED THERAPY CAPABILITY
Bhanu Priya Viraka Nellore, Avijit Pramanik, SuhashReddy Chavva, Sudarson Sekhar Sinha,
P = Poster Session #
Christen Robinson, Zhen Fan, Rajashekhar Kanchanapally, Justin Grennell, Ivy Weaver,
S = Speaker
Ashton T. Hamme and Paresh Chandra Ray *
P35 CALCULATING ENTHALPIES OF FORMATION FOR AMINO DERIVATIVES OF
TRINITROTOLUENE
Shelby L. Raines1,2, Erica Q. Chong2, Amika Sood, Glake Hill1, and David H. Magers2
S
SELF-PROPAGATION OF AMYLOID-B OLIGOMERS IN ALZHEIMER’S
DISEASE.
Vijay Rangachari
S
THERANOSTIC GRAPHENE OXIDE FOR CANCER
Paresh Chandra Ray
P36 CYANIDE DETECTION BY A NOVEL MACROCYCLIC-BASED DINUCLEAR
COPPER(II) COMPLEX IN WATER
Md Mhahabubur Rhaman,1 Douglas R. Powell2 and Md. Alamgir Hossain*1
P37 APTAMER-FUNCTIONALIZED GRAPHENE OXIDE FOR SELECTIVE IMAGING
OF SK-BR-3 CANCER CELLS
Kimberly Robinson, Suhash Chavva, Avijit Pramanik, and Paresh C. Ray*
14th Southern School on Computational Chemistry and Materials Science Conference
P38
P39
P40
P41
S
S
P42
P43
S
SPECTROSCOPIC AND COLORIMETRIC STUDIES OF A NEW TRIPODAL
THIOUREA RECEPTOR FOR ANIONS
Michelle Robinson,1 Maryam Emami Khansari2 and Md. Alamgir Hossain2*
INVESTIGATION ON CROSS-LINKED EPOXY POLYMERS AND WATER
INTERFACE: A MOLECULAR DYNAMICS APPROACH
Jugnata K. Roy, Henry Pinto and Jerzy Leszczynski
ASSESSING EFFECTS OF CRYSTALLINITY AND SURFACE COATING ON THE
CYTOTOXICITY OF ENGINEERED TITANIUM DIOXIDE NANOPARTICLES BY
USING A BACTERIA MODEL
Sabrieon Sanders, Huey-Min Hwang, Xiaojia He, and Winfred Aker
NIR EMISSIVE SILVER NANOCLUSTERS ON VARIOUS SINGLE STRANDED
DNA TEMPLATES
Tony Saracino, Chirantan Sen Mukherjee, Faren White, Kisa Harris, and Bidisha Sengupta
B-DNA AND BEYOND: ALTERNATE DNA STRUCTURES IN NANOMATERIALS
Bidisha Sengupta
COOPERATIVE ENERGY TRANSFER IN PLASMONIC SYSTEMS
Tigran V. Shahbazyan
HYBRID GRAPHENE OXIDE ELECTRODE ON ENHANCING PERFORMANCE OF
ALIZARINE SENSITIZED SOLAR CELL
1
Anant Kumar Singh, 2Suhash Reddy Chavva , 2Avijit Pramanic, and 2P. C. Ray
BIFUNCTIONAL 1,8-NAPHTHALIMIDES AS FLUORESCENCE SENSORS
Melinda K. Solomon, Anna K. Allred, Irene S. Corrao, Resham Rahat, James P. McVaugh,
Emily H. Stewart, and Wolfgang H. Kramer*
A PERFECT CATCH: ENGINEERING THE TETHER OF THE MOLECULAR
RECEPTORS WITH CORANNULENE PINCERS
Andrzej Sygula
S
BIOCONJUGATED GOLD NANOPARTICLES FOR THE INHIBITION OF HUMAN
CYTOMEGALOVIRUS INFECTION
P = Poster Session #
Ritesh Tandon1 Bernadette M. DeRussy1, Madeline A. Aylward1, Zhen Fan2, and Paresh C.
S = Speaker 2
Ray
S
VIBRATIONAL FREQUENCIES FOR HYDROGEN BONDED CLUSTERS: THE
NEED FOR AND A ROUTE TO BENCH COMPUTATIONS APPROACHING THE
CCSD(T) COMPLETE BASIS SET LIMIT
Gregory Tschumper
S
IS DNA THE PERFECT BIOLOGICAL NANOMATERIAL?
Randy Wadkins
S
P44
S
POLYMER-METAL NANOPARTICLE COMPOSITES: INCORPORATION OF
JANUS, MAGNETIC, STIMULI RESPONSIVE, AND/OR REVERSIBLE
AGGLOMERATION FEATURES
Walters, Keisha, B. Vasquez, Erick S., and Chu, I -Wei
A NEW PROPYLENE-BASED DIPODAL UREA RECEPTOR FOR ANION SENSING
Xi Wang1, Hyppolitte Djouda1, Ismet Basaran1,2, and Md. Alamgir Hossain1
COMPUTATIONAL STUDIES OF NANOPARTICLES: OPTICAL PROPERTIES,
MAGNETIC TRAPPING AND TRANSPORT THROUGH MICROFLUIDIC
14th Southern School on Computational Chemistry and Material Science
P45
P46
P47
S
P48
P49
P50
CHANNELS
Yongmei Wang
DAMAGE INDUCED BY SOLVATED ELECTRONS IN TRINUCLEOTIDES
LABELLED WITH BROMINATED NUCLEOBASES
Kinga Westphal,1 Justyna Wiczk,1 Janusz Rak,1 Gabriel Kciuk,2 and Krzysztof Bobrowski2
INVESTIGATION OF THE METABOLIC ASSIMILATION AND ELIMINATION
PATHWAYS OF SILICA COATED PBSE QUANTUM DOTS
Nicholas Westcott, Aruna Vangara, and Zikri Arslan
THE QUANTITATIVE IDENTIFICATION OF PHOTODAMAGE OF THE
LABELLED DNA BY USING REAL-TIME PCR
Justyna Wiczk, Kinga Westphal, and Janusz Rak
SYNTHESIS AND EVALUATION OF AN IRON CARBIDE/CARBON COMPOSITE
FOR USE AS A SUPERCAPACITOR MATERIAL
David Wipf, Department of Chemistry, Mississippi State University
STUDY OF OPTICAL PROPERTIES OF TITANIUM DIOXIDE AND TITANIUM
DIOXIDE DOPED BY SULFUR AND SILVER
R. Wojnarowska1,2, J. Bobitski1, and D. Leszczyńska3
A FACIAL ELECTROCHEMICAL METHOD FOR PREPARATION AND
CHARACTERIZATION OF GRAPHENE NANORIBBONS FROM SINGLE WALLED
CARBON NANOTUBES
A.B.M. Zakaria1, and Danuta Leszczynska2
CYTOTOXICITY OF ORGANIC SURFACE COATING AGENTS USED FOR
NANOPARTICLES
Ying Zhang1, Brandon Newton1, Eybriunna Lewis1, Peter P. Fu2, Ramzi Kafoury3, Paresh C.
Ray1, and Hongtao Yu1*
List
of
14th Southern School on Computational Chemistry and Materials Science Conference
Participants
Lucky Ahmed
Jackson State University
Department of Chemistry
1400 J.R. Lynch Street
Jackson, MS 39217
Email:lucky.ahmed@icnanotox.or
g
Azmain Alamgir
Madison Central High School
1417 Highland Colony Parkway
Madison, MS 39110
E-mail: aazmain@gmail.com
Eronisha Banks
Jim Hill High School
2185 Fortune Street
Jackson, MS 39204
E-mail: Eronisha12@gmail.com
Salma Begum
Jackson State University
Department of Chemistry
1400 J.R. Lynch Street
Jackson, MS 39217
E-mail:salmaalamgir@gmail.com
14th Southern School on Computational Chemistry and Material Science
Shonda Allen-Hill
Jackson State University
Department of Chemistry
1400 Lynch St.
Jackson, MS 39217
Tel: 601-979-3723
E-mail: shonda@icnanotox.org
Wiktor Beker
Wroclaw University of Technology
Department of Chemistry
Wyb. Wyspanskiego 27
50-370 Wroclaw, Poland
E-mail:wiktor.beker@pwr.edu.pl
Richard Alo
Dean of CSET
Jackson State University
1400 J.R. Lynch Street
Jackson, MS 39217
Phone: (601) 979-2153
Email: richard.a.alo@jsums.edu
Robert Bolhofner
Jackson State University
Department of Chemistry
1400 J.R. Lynch Street
Jackson, MS 39217
E-mail:
RBolhofner@gmail.com
Oleksii Antypenko
Zaporizhzhya State Medical
University
Ordzhonikidzevs'kyi district,
Zaporizhia, Zaporiz'ka oblast,
Ukraine, 69000
E-mail: antypenkoan@gmail.com
Mya Brown
Jim Hill High School
2185 Fortune Street
Jackson, MS 39204
E-mail: mymy_j_b@yahoo.com
Henry Ashbaugh
Tulane University
Department of Chemical and
Biomedical Engineering
6823 St. Charles Ave
New Orleans, LA 70118
E-mail: hanka@tulane.edu
Fengwei Bai
University of Southern Mississippi
Department of Biological Sciences
118 College Drive #5018
Hattiesburg, MS 39046
E-mail: fengwei.bai@usm.edu
Suhash Chavva
Jackson State University
Department of Chemistry
1400 Lynch St.
Jackson, MS 39217
E-mail: suhaschavva@gmail.com
Dawei Chen
NYU School of Engineering
6 Metrotech Center
Brooklyn, NY 11201
E-mail:
dchen10@students.poly.edu
Caylee Carpenter
Tougaloo College
Department of Chemistry
500 W. County Line Road
Jackson, MS 39174
E-mail: cayleebreanne@gmail.com
Daja Carson
Jim Hill High School
2185 Fortune Street
Jackson, MS 39204
E-mail: daja15carson@gmail.com
Jasmine Davis
Tougaloo College
Department of Chemistry
500 W. County Line Road
Jackson, MS 39174
E-mail: jhazmhon@yahoo.com
April Dixon
Jackson State University
Department of Chemistry
1400 J.R. Lynch Street
Jackson, MS 39217
E-mail: adix9612@yahoo.com
14th Southern School on Computational Chemistry and Materials Science Conference
Erin Coverson
Lanier High School
833 Maple Street
Jackson, MS 39203
E-mail: ecoverson15@gmail.com
Ruipeng Dong
Jackson State University
Department of Chemistry
1400 J.R. Lynch Street
Jackson, MS 39217
E-mail: dongruip@gmail.com
Rebecca Crouch
Jackson State University
Department of Chemistry
1400 J.R. Lynch Street
Jackson, MS 39217
E-mail:
Jasmine Douglas
Jackson State University
Department of Chemistry
1400 J.R. Lynch Street
Jackson, MS 39217
E-mail: jasmine.douglas2016@gmail.com
Rebecca.A.Crouch@students.jsums.edu
Prasanta Das
Jackson State University
Department of Chemistry
1400 J.R. Lynch Street
Jackson, MS 39217
E-mail: prasanta.das@jsums.edu
Maryam Emami Khansari
Jackson State University
Department of Chemistry
1400 J.R. Lynch Street
Jackson, MS 39217
E-mail:
maryam.ememi.khansari@students.jsu.edu
Thabitha Shareena Dasari
Jackson State University
Department of Chemistry
1400 J.R. Lynch Street
Jackson, MS 39217
E-mail:
shareenadasari@yahoo.com
Le Andria Fields
Jackson State University
Department of Chemistry
1400 J.R. Lynch Street
Jackson, MS 39217
E-mail: lefields1@gmail.com
Craig Cassidy
Assistant Dean
Research, Corporate Relations,
and Diversity
1400 Lynch St.
Jackson, MS 39217
Tel: 6019790579
Email: craig.k.cassidy@jsums.edu
Dalephine Davis
Jackson State University
1400 J.R. Lynch Street
Jackson, MS 39217
Tel: 601-979-1525
E-mail: delephine@xhem.jsums.edu
Agnieszka Gajewicz
University of Gdansk
Jana Bazynskiego 1A
Gdansk, Poland
E-mail: a.gajewicz@qsar.eu.org
Destiny Ford
Lanier High School
833 Maple Street
Jackson, MS 39203
E-mail: dessyboo143@yahoo.com
Anastasiia Golius
Jackson State University
Department of Chemistry
1400 JR. Lynch Street
Jackson, MS 39217
E-mail: anastasia@icnanotox.org
Syed Haque
Jackson State University
Department of Chemistry
1400 J.R. Lynch Street
Jackson, MS 39217
E-mail: syed.acce.du@gmail.com
14th Southern School on Computational Chemistry and Material Science
Veronica Gonzalez-Fernandez
Jackson State University
Department of Chemistry
1400 J.R. Lynch Street
Jackson, MS 39217
E-mail: vgonza8@gmail.com
Aminah Gooch
Jackson State University
Department of Chemistry
1400 J.R. Lynch Street
Jackson, MS 39217
E-mail: Aminah@icnanotox.org
Kai Guo
Jackson State University
Department of Chemistry
1400 J.R. Lynch Street
Jackson, MS 39217
E-mail: dabaojiao@hotmail.com
Sandra Hall
Jackson State University
Program Coordinator, NIH-MARC
1400 J.R. Lynch Street
Jackson, MS 39217
Tel: 601-979-2087
E-mail: sandra.l.hall@jsums.edu
Brittany Hallmark
Jackson State University
Department of Chemistry
1400 JR. Lynch Street
Jackson, MS 39217
E-mail:hallmark@iastate.edu
Huey-Min Hwang
Jackson State University
Department of Biology
1400 J.R. Lynch Street
Jackson, MS 39217
E-mail: shanihu@yahoo.com
Karolina Jagiello
University of Gdansk
Wita Stwosza 63
Gdansk, Poland 80-283
E-mail: jagiello@qsar.eu.org
Cortez Hart
Jim Hill High School
2185 Fortune Street
Jackson, MS 39204
E-mail:
Hart1Cortez@yahoo.com
LaTonya Hayes
Jackson State University
Department of Chemistry
1400 J.R. Lynch Street
Jackson, MS 39217
E-mail: tonyawchs@yahoo.com
Xiaojia He
Jackson State University
Department of Biology
1400 J.R. Lynch Street
Jackson, MS 39217
E-mail: xiaojia.alexandrio.he@gmail.com
Glake Hill, Jr.
Jackson State University
Department of Chemistry
1400 J.R. Lynch St.
Jackson, MS 39217
E-mail: glakeh@icnanotox.org
Xiaohua Huang
The University of Memphis
Department of Chemistry
Department of Biomedical Engineering
419 Smith Chemistry Building
Memphis, TN 38152
E-mail: ywang@memphis.edu
Aparna Kasani
Research Scientist
IDEXX Labs
Roswell, GA
E-mail: kasaniaparna@hotmail.com
Mehedi Khan
Department of Chemistry
Jackson State University
1400 J.R. Lynch Street
Jackson, MS 39217
E-mail: mehedi.khan@icnanotox.org
14th Southern School on Computational Chemistry and Materials Science Conference
Markie 'Sha James
Department of Chemistry
Jackson State University
1400 J.R. Lynch Street
Jackson, MS 39217
E-mail:
markieshajames95@gmail.com
Kenneth Knappenberger Jr.
Florida State University
Department of Chemistry
W. College Avenue
Tallahassee, FL 32306
E-mail: klk@chem.fsu.edu
Aya Johnson
Jim Hill High School
2185 Fortune Street
Jackson, MS 39204
E-mail: aya.johnson@yahoo.com
Wolfgang Kramer
Millsaps College
Department of Chemistry
1701 North State Street
Jackson, MS 39202
E-mail: kramewh@millsaps.edu
Stacy Johnson
Jackson State University
Department of Chemistry
1400 J. R. Lynch Street
Jackson, MS 39217
E-mail: sjonesmiss@gmail.com
Danuta Leszczynska
Jackson State University
Department of Civil and Environmental
Engineering
1400 J.R. Lynch Street
Jackson, MS 39217
E-mail: Danuta@icnanotox.org
Chinyere Jones
Murrah High School
1400 Murrah Drive
Jackson, MS 39202
E-mail: chinyere.jones1066
@yahoo.com
Jerzy Leszczynski
Jackson State University
Director of ICN
Professor of Chemistry
1400 J.R. Lynch Street
Jackson, MS 39217
Tel: 601-979-3482
E-mail: jerzy@icnanotox.org
Rajashekhar Kanchanapally
Department of Chemistry
Jackson State University
1400 J.R. Lynch Street
Jackson, MS 39217
E-mail:
raja_shekhar66@yahoo.com
Yunfeng Lin
Jackson State University
Department of Chemistry & Biochemistry
1400 J.R. Lynch Street
Jackson, MS 39217
E-mail: linyunfeng123@gmail.com
Galina Lobodina
Jackson State University
Department of Chemistry
1400 J.R. Lynch Street
Jackson, MS 39217
Tel: 601-979-3980
E-mail: galina@icnanotox.org
Devashis Majumdar
Jackson State University
Department of Chemistry
1400 J.R. Lynch Street
Jackson, MS 39217
E-mail: devashis@icnanotox.org
Loretta Moore
Interim Vice President for Research
Development Support & Federal
Relations
Jackson State University
Jackson, MS 39217
Email: loretta.a.moore@jsums.edu
Creda Morgan
Jim Hill High School
2185 Fortune Street
Jackson, MS 39204
E-mail: creda.morgan@yahoo.com
14th Southern School on Computational Chemistry and Material Science
Meshanna Marzette
Jim Hill High School
2185 Fortune Street
Jackson, MS 39204
E-mail:
zette.shanna695@yahoo.com
Myuna McNair
Lanier High School
833 Maple Street
Jackson, MS 39203
E-mail: myunamcnair@gmail.com
Carolyn Meyers
President
Jackson State University
Jackson, MS 39217
Najla Muhammed
Jackson State University
Department of Chemistry
1400 J.R. Lynch Street
Jackson, MS 39217
E-mail: najtxm@gmail.com
Chirantan Sen Mukherjee
Tougaloo College
Department of Chemistry
500 W. County Line Road
Jackson, MS 39174
E-mail: uv4creations@gmail.com
Courtney Mullins
Millsaps College
Department of Chemistry
1701 North State Street
Jackson, MS 39202
E-mail: millicb@millsaps.edu
Alicja Mikolajczyk
University of Gdansk
Wita Stwosza 63
Gdansk, Poland 80-283
E-mail: mikolajczyk@qsar.eu.org
Aemal Nafis
Germantown High Shool
200 Calhoun Parkway
Madison, MS 39110
E-mail: yazooprincess@bellsouth.net
Ali Mirchi
Jackson State University
Department of Chemistry
1400 J.R. Lynch Street
Jackson, MS 39217
E-mail: amirchi@icnanotox.org
Bethany Neyland
Murrah High School
1400 Murrah Drive
Jackson, MS 39202
E-mail: neylands33@yahoo.com
Nicholas Norwood
Jim Hill High School
2185 Fortune Street
Jackson, MS 39204
E-mail:
johnson.nichols78@yahoo.com
Vijay Rangachari
University of Southern Mississippi
Department of Chemistry & Biochemistry
118 College Drive #5043
Hattiesburg, MS 39046
E-mail: vijay.rangachari@usm.edu
Ifedayo Victor Ogungbe
Jackson State University
Department of Chemistry
1400 J.R. Lynch Street
Jackson, MS 39217
E-mail:
ifedayo.v.ogungbe@jsums.edu
Bakhtiyor Rasulev
Jackson State University
Department of Chemistry
1400 JR. Lynch Street
Jackson, MS 39217
E-mail: rasulev@icnanotox.org
14th Southern School on Computational Chemistry and Materials Science Conference
Thomas Ondera
Jackson State University
Department of Chemistry &
Biochemistry
1400 J.R. Lynch Street
Jackson, MS 39217
E-mail:
jumathomasondera@hotmail.com
Guvanchmyrat Paytakov
Jackson State University
Department of Chemistry
1400 J.R. Lynch Street
Jackson, MS 39217
E-mail: guvanc@icnanotox.org
Avajit Pramanik
Jackson State University
Department of Chemistry
1400 J.R. Lynch Street
Jackson, MS 39217
E-mail: praavijit@gmail.com
Thomasz Puzyn
University of Gdansk
Department of Chemistry
University of Gdansk
Jana Bazynskiego 1A
Gdansk, Poland
E-mail: t.puzyn@qsar.eu.org
Shelby Raines
Jackson State University
Department of Chemistry
1400 J.R. Lynch Street
Jackson, MS 39217
E-mail:
shelbylraines@hotmail.com
Juganta Roy
Jackson State University
Department of Chemistry
1400 J.R. Lynch Street
Jackson, MS 39217
E-mail:
juganta.roy@icnanotox.org
Kamalesh Ruppa
CEO
ChemRoyal Inc.
Atlanta, GA
E-mail:
ruppakamalesh@gmail.com
Paresh Ray
Jackson State University
Department of Chemistry
1400 J.R. Lynch Street
Jackson, MS 39217
E-mail: paresh.c.ray@jsums.edu
James Renick
Provost and Vice President for Academic
Affairs
Jackson State University
(601) 979-2244
Email: james.c.renick@jsums.edu
Md Mhahabubur Rhaman
Jackson State University
Department of Chemistry
1400 J.R. Lynch Street
Jackson, MS 39217
Email:
md_mhahabubur.rhaman@students.jsums.ed
u
Kimberly Robinson
Mississippi School for Mathematics and
Science
1100 College Street
Columbus, MS 39701
E-mail: robinsonk15@themsms.org
Michelle Robinson
Madison Central High School
1417 Highland Colony Parkway
Madison, MS 39110
E-mail: mrobinson@madison-schools.com
Maxine Simpson
Jackson State University
1400 J.R. Lynch Street
Jackson, MS 39217
E-mail: emma.m.simpson@jsums,edu
Anant Singh
Alcorn State University
Department of Chemistry & Physics
1000ASU Drive
Alcorn State, MS 39096
E-mail: asingh@alcorn.edu
14th Southern School on Computational Chemistry and Material Science
Sabrieon Sanders
Jackson State University
Department of Chemistry
1400 J.R. Lynch Street
Jackson, MS 39217
Email:sabrieonsanders@gmail.com
Melinda Solomon
Millsaps College
Department of Chemistry
1701 North State Street
Jackson, MS 39202
E-mail: solommk@millsaps.edu
Bidisha Sengupta
Tougaloo College
Department of Chemistry
500 W. County Line Road
Jackson, MS 39174
E-mail: bsengupta@tougaloo.edu
Andrzej Sygula
Mississippi State University
Department of Chemistry
310 Presidents Circle
Mississippi State, MS 39762
E-mail: ASygula@chemistry.msstate.edu
Anthony Saracino
Tougaloo College
Department of Chemistry
500 W. County Line Road
Jackson, MS 39174
E-mail:
tonysaracino@hotmail.com
Ritesh Tandon
University of Mississippi Medical Center
Department of Microbiology
2500 North State Street
Jackson, MS 39216
Email: rtandon@umc.edu
Bidisha Sengupta
Tougaloo College
Department of Chemistry
500 W. County Line Road
Jackson, MS 39174
E-mail: bsengupta@tougaloo.edu
Paul Tchounwou
Associate Dean
Graduate and International Programs
Jackson State University
Phone: (601) 979-0777
Email: paul.b.tchounwou@jsums.edu
Tigran Shahbazyan
Jackson State University
Department of Chemistry
1400 J.R.Lynch Street
Jackson, MS 39217
E-mail: shahbazyan@jsums.edu
Candilyn Tenner
Jackson State University
1400 J.R. Lynch Street
Jackson, MS 39217
Tel: 601-979-2171
E-mail: candilyn.m.mckee-tenner@jsums.edu
Gregory Tschumper
University of Mississippi
Department of Chemistry &
Biochemistry
409 Coulter Hall
University, MS 38677
E-mail:tschumpr@olemiss.edu
Randy Wadkins
University of Mississippi
Department of Chemistry &
Biochemistry
409 Coulter Hall
University, MS 38677
E-mail: rwadkins@olemiss.edu
Yongmei Wang
The University of Memphis
Department of Chemistry
419 Smith Chemistry Building
Memphis, TN 38152
E-mail: ywang@memphis.edu
Marquita Watkins
Jackson State University
Department of Chemistry
1400 J.R. Lynch Street
Jackson, MS 39217
E-mail: mwatkins@icnanotox.org
14th Southern School on Computational Chemistry and Materials Science Conference
Sharnek Walker
Jackson State University
Department of Chemistry
1400 J.R. Lynch Street
Jackson, MS 39217
E-mail: swalker09@icnanotox.org
Keisha Walters
Mississippi State University
Department of Chemistry
323 Presidents Circle
Mississippi State, MS 39762
E-mail: kwalters@che.msstate.edu
Wilbur Walters Jr.
Associate Dean
Undergraduate Programs,
Recruitment & Retention
1400 Lynch St.
Jackson, MS 39217
Tel: 6019790579
Email: wilbur.l.walters@jsums.edu
Jing Wang
Jackson State University
Department of Chemistry
1400 J.R. Lynch Street
Jackson, MS 39217
Tel: 601-979-7824
E-mail: jingw@icnanotox.org
Xi Wang
Mississippi School for
Mathematics and Science
1100 College Street
Columbus, MS 39701
E-mail: wangx15@themsms.org
Renata Wojnarowska
Universoty of Rzeszow
Department of Chemistry
Rejtana 16 C Street
35-959 Rzeszow
E-mail:
wojnarowska.renata@gmail.com
Denise Yancey
Jackson State University
Department of Chemistry
1400 J.R. Lynch Street
Jackson, MS 39217
E-mail:dnsyancey@yahoo.com
Nicholas Westcott
Jackson State University
Department of Chemistry
1400 JR. Lynch Street
Jackson, MS 39217
E-mail: nicholas.westcott@lyon.edu
Kinga Westphal
Department of Chemistry
University of Gdansk
Jana Bazynskiego 1A
Gdansk, Poland
E-mail: kinga.westphae@o2.pl
Faren White
Tougaloo College
Department of Chemistry
500 W. County Line Road
Jackson, MS 39174
E-mail: farenr98@gmail.com
Justyna Wiczk
DepUniversity of Gdansk
Jana Bazynskiego 1A
Gdansk, Poland
E-mail: justyna-wiczk@wp.p
David Wipf
Mississippi State University
Department of Chemistry
310 Presidents Circle
Mississippi State, MS 39762
E-mail: wipf@ra.msstate.edu
14th Southern School on Computational Chemistry and Material Science
Hongtao Yu
Jackson State University
Department of Chemistry, Chair
1400 Lynch St.
Jackson, MS 39217
Tel: 6019792174
Email: hongtao.yu@jsums.edu
ABM Zakaria
Jackson State University
Department of Chemistry
1400 J.R. Lynch Street
Jackson, MS 39217
E-mail:
abmzakaria@icnanotox.org
M.S. Zaman
Alcorn State University
1000 ASU Drive
Alcorn State, MS 39096
E-mail: zaman@alcorn.edu
Rakeen Zamen
Tougaloo College
Department of Chemistry
500 W. County Line Road
Jackson, MS 39174
E-mail: rakeenzaman@gmail.com
Ying Zhang
Jackson State University
Department of Chemistry
1400 JR. Lynch Street
Jackson, MS 39217
E-mail:yingzhang.zoe@gmail.com