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Articles 31 - 60 of 1435
Full-Text Articles in Chemistry
Legal And Regulatory Framework Of Nuclear Security In Indonesia, Dahlia Cakrawati Sinaga
Legal And Regulatory Framework Of Nuclear Security In Indonesia, Dahlia Cakrawati Sinaga
International Journal of Nuclear Security
Nuclear security is one of the most important topics for regulatory purposes in Indonesia. Nuclear security measures exist to prevent, detect, and respond to unauthorized removal of radioactive material and the sabotage of nuclear and radiation facilities. Indonesia participates in bilateral and multilateral cooperation and international events such as the Nuclear Security Summit. Indonesia has also ratified several international instruments related to nuclear security. Based on commitment to international events and ratification, Indonesia has developed nuclear security infrastructures by strengthening legislation and regulation, enhancing building capacity, and strengthening equipment and facilities. Badan Pengawas Tenaga Nuklir (BAPETEN) is Indonesia’s nuclear energy …
Nuclear Security Risk Analysis: An Insider-Outsider Collusion Scenario, Mohammad A. Hawila, Sunil S. Chirayath
Nuclear Security Risk Analysis: An Insider-Outsider Collusion Scenario, Mohammad A. Hawila, Sunil S. Chirayath
International Journal of Nuclear Security
This study analyses the vulnerability of the physical protection system (PPS) deployed at a hypothetical facility. The PPS is designed to prevent and eliminate threats to nuclear materials and facilities. The analysis considers possible outsider and insider threats. A modified adversary sequence diagram (ASD) evaluates threat pathways to test an insider-outsider collusion case. The ASD also measures the probability of adversary interruption by demonstrating the methodology for a typical nuclear facility.
Nuclear Security Culture And Batan’S Assessment: Batan’S Experience, Anhar R. Antariksawan
Nuclear Security Culture And Batan’S Assessment: Batan’S Experience, Anhar R. Antariksawan
International Journal of Nuclear Security
Organizations should increase safety to minimize the harmful effects of nuclear materials. Additionally, organizations should take measures to protect security culture within the organization itself. This paper covers the National Nuclear Energy Agency of Indonesia’s (BATAN’s) promotion of nuclear security culture and self- assessment projects, which is based on the International Atomic Energy Agency’s (IAEA) methodology.
Modified Fault Tree Method For Vulnerability Analysis Of Nuclear Medicine Facility Security System Case Study: Radiotherapy Facility, Sardjito General Hospital, Haryono Budi Santosa
Modified Fault Tree Method For Vulnerability Analysis Of Nuclear Medicine Facility Security System Case Study: Radiotherapy Facility, Sardjito General Hospital, Haryono Budi Santosa
International Journal of Nuclear Security
Assessing the vulnerability of physical protection systems (PPS) in nuclear medicine facilities is needed to prevent a security incident that could lead to the malicious use of nuclear material. Theft and sabotage of nuclear materials is becoming globally recognized. The current methods of assessing vulnerability tend to be oriented toward complex nuclear security; consequently, it is excessive to use such methods in simple facilities (i.e., radiotherapy facilities in hospitals).
The fault tree analysis is a method to assess vulnerability for a simple nuclear facility. The method’s primary events (i.e., basic events and undeveloped events) are able to accommodate fault causes …
Myofilament Calcium Sensitivity: Consequences Of The Effective Concentration Of Troponin I, Jalal K. Siddiqui, Svetlana B. Tikunova, Shane D. Walton, Bin Liu, Meredith Meyer, Pieter P. De Tombe, Nathan Neilson, Peter M. Kekenes-Huskey, Hussam E. Salhi, Paul M.L. Janssen, Brandon J. Biesiadecki, Jonathan P. Davis
Myofilament Calcium Sensitivity: Consequences Of The Effective Concentration Of Troponin I, Jalal K. Siddiqui, Svetlana B. Tikunova, Shane D. Walton, Bin Liu, Meredith Meyer, Pieter P. De Tombe, Nathan Neilson, Peter M. Kekenes-Huskey, Hussam E. Salhi, Paul M.L. Janssen, Brandon J. Biesiadecki, Jonathan P. Davis
Chemistry Faculty Publications
Control of calcium binding to and dissociation from cardiac troponin C (TnC) is essential to healthy cardiac muscle contraction/relaxation. There are numerous aberrant post-translational modifications and mutations within a plethora of contractile, and even non-contractile, proteins that appear to imbalance this delicate relationship. The direction and extent of the resulting change in calcium sensitivity is thought to drive the heart toward one type of disease or another. There are a number of molecular mechanisms that may be responsible for the altered calcium binding properties of TnC, potentially the most significant being the ability of the regulatory domain of TnC to …
The Role Of Particle Surface Functionality And Microstructure Development In Isothermal And Non-Isothermal Crystallization Behavior Of Polyamide 6/Cellulose Nanocrystals Nanocomposites, Shahram Rahimi, Joshua U. Otaigbe
The Role Of Particle Surface Functionality And Microstructure Development In Isothermal And Non-Isothermal Crystallization Behavior Of Polyamide 6/Cellulose Nanocrystals Nanocomposites, Shahram Rahimi, Joshua U. Otaigbe
Faculty Publications
Polyamide 6 (PA6)/cellulose nanocrystal (CNC) and aminopropyl triethoxy silane (APS) - modified CNC nanocomposites were prepared by in situ anionic ring opening polymerization and subsequent melt extrusion. The morphological observation of these hybrid systems revealed that the non-modified nanocrystals developed a network-like fibrillar structure while the APS-modified CNCs were finely dispersed mostly as individual whiskers. The isothermal and non-isothermal crystallization kinetics was extensively studied with emphasis on the effects of CNC surface functionality and the subsequent microstructure development on crystallization behavior of these novel nanocomposite systems. The non-modified CNC particles with corresponding fibrillar microstructure were found significantly hinder the crystallization …
Assessing The Impact Of A Constructed Wetland Biome On The Ecosystem Health Of Cedar Run, Thomas Vasilopoulos, Casey Lee
Assessing The Impact Of A Constructed Wetland Biome On The Ecosystem Health Of Cedar Run, Thomas Vasilopoulos, Casey Lee
Senior Honors Projects, 2010-2019
A wetlands ecosystem is defined as “an area saturated by surface or groundwater at a frequency or duration sufficient to support...a prevalence of vegetation typically adapted for life in saturated soil conditions” (Batzer and Sharitz, 2007). Wetlands serve as biofilters and thus have been used to treat sewage and wastewater, as well as to restore the health of polluted water systems. Solly Walker and Lorinda Palin, owners of a certified natural and biodynamic farm called Avalon Acres located in Broadway, Virginia, constructed a wetland two years ago, using the stream, Cedar Run, that flows through their property. Pollution from agricultural …
Bonding Theatre And Chemistry: An Educational Exploration, Matthew Gurniak
Bonding Theatre And Chemistry: An Educational Exploration, Matthew Gurniak
Senior Honors Projects, 2010-2019
This paper analyzes the educational aspects of theatre and music and the impact that they have on an audience. The goal was to begin a new conversation about science and theatre and how the two can learn and gain unique insight from each other. To examine how these two antithetical fields can interact, I composed a new, innovative musical that tells the love story between two professors through the use of concepts from general chemistry. The results and responses from the performance of the play were overwhelmingly positive from members of both disciplines. They have inspired continued interest in this …
The Synthesis And Characterization Of Photoluminescent Conjugated Frameworks Containing Silicon And Germanium, Douglas William Hammerstroem
The Synthesis And Characterization Of Photoluminescent Conjugated Frameworks Containing Silicon And Germanium, Douglas William Hammerstroem
Dissertations
Siloles and 9-heterofluorenes (Si, Ge) are conjugated π-electron systems containing Group 14 atoms which demonstrate unique properties such as high electron affinity, mobility, and bathochromically shifted optical spectra relative to their all-carbon analogs. This is due to their low-lying lowest-unoccupied molecular orbital (LUMO) which is resultant of the σ*-π* conjugation between the exocyclic groups at the Group 14 center and the butadiene unit of the ring. As a consequence, they have received considerable attention for their use as components for a wide variety of optical and electronic applications such as organic light emitting diodes (OLEDs), photovoltaic devices, field-effect transistors (FETs), …
The Role Of The Unusual Threonine String In The Conversion Of Prion Protein, Romany Abskharon, Fei Wang, Kayla J. Vander Stel, Kumar Sinniah
The Role Of The Unusual Threonine String In The Conversion Of Prion Protein, Romany Abskharon, Fei Wang, Kayla J. Vander Stel, Kumar Sinniah
University Faculty Publications and Creative Works
The conversion of normal prion protein (PrP) into pathogenic PrP conformers is central to prion disease, but the mechanism remains unclear. The α-helix 2 of PrP contains a string of four threonines, which is unusual due to the high propensity of threonine to form β-sheets. This structural feature was proposed as the basis for initiating PrP conversion, but experimental results have been conflicting. We studied the role of the threonine string on PrP conversion by analyzing mouse Prnpa and Prnpb polymorphism that contains a polymorphic residue at the beginning of the threonine string, and PrP mutants in which threonine 191 …
Mass Spectrometry And Protein Analysis: Structure, Oligomerization And Interaction, Hanliu Wang
Mass Spectrometry And Protein Analysis: Structure, Oligomerization And Interaction, Hanliu Wang
Arts & Sciences Graduate Student Theses and Dissertations
Protein aggregation is common in biological processes including neurodegenerative diseases, as well as artificial development in biopharmaceutical production and protein storage. Therefore, understanding proteins involved in aggregation systems is important. It is generally difficult for high resolution structural methods, such as X-ray or NMR, to interrogate proteins possessing aggregation propensities. On the other hand, techniques that tolerate solution heterogeneities, such as circular dichroism, only provide global or low-resolution information. Mass spectrometry (MS)-based methods are appropriate and powerful in such applications because they can deal with mixtures. Additionally, primary sequence, post-translational modification, and structural information can be obtained at low sample …
Investigating The Life-Cycle Of Photosystem Ii Using Mass Spectrometry, Daniel Avram Weisz
Investigating The Life-Cycle Of Photosystem Ii Using Mass Spectrometry, Daniel Avram Weisz
Arts & Sciences Graduate Student Theses and Dissertations
Photosystem II (PSII) is a protein complex found embedded in the thylakoid membranes of all organisms that perform oxygenic photosynthesis. PSII converts sunlight into chemical energy, filling our atmosphere with molecular oxygen in the process and supporting nearly all life on Earth. PSII undergoes frequent light-induced damage as an unavoidable result of the electron transfer reactions it catalyzes. When damaged, PSII is disassembled, repaired, and reassembled in an intricate, tightly regulated process. The structure and mechanism of function of active PSII are relatively well-understood, due to the available crystal structures of the active complex and many years of biochemical and …
Electropolymerization Of B–Cyclodextrin Onto Multi–Walled Carbon Nanotube Composite Films For Enhanced Selective Detection Of Uric Acid, Mulugeta B. Wayu, Luke T. Dipasquale, Margaret A. Schwarzmann, Samuel D. Gillespie, Michael C. Leopold
Electropolymerization Of B–Cyclodextrin Onto Multi–Walled Carbon Nanotube Composite Films For Enhanced Selective Detection Of Uric Acid, Mulugeta B. Wayu, Luke T. Dipasquale, Margaret A. Schwarzmann, Samuel D. Gillespie, Michael C. Leopold
Chemistry Faculty Publications
An amperometric uric acid (UA) sensor incorporating a multi-walled carbon nanotubes (MWCNT) network in Nafion and electropolymerized β-cyclodextrin (β-CD) layer is investigated. The electrochemical sensor is comprised of a glassy carbon electrode modified with Nafion-MWCNT nanocomposite film, a β-CD polymer inner selective layer, and a Hydrothane polyurethane (HPU) outer selective coating. The surface morphology and electronic structure of the electrode material are characterized using transmission electron microscopy (TEM), scanning electron microscope (SEM), and Fourier transform infrared (FTIR) spectroscopy. The electrocatalytic activity of the sensor is studied using cyclic voltammetry (CV), chronocoulometry (CC) and differential pulse voltammetry (DPV). Analytical performance of …
Biogenetically Inspired Total Synthesis Of Lingzhiol. Design And Synthesis Of Axially Chiral N-Heterocyclic Carbene Catalysts., Krishna Sharmah Gautam
Biogenetically Inspired Total Synthesis Of Lingzhiol. Design And Synthesis Of Axially Chiral N-Heterocyclic Carbene Catalysts., Krishna Sharmah Gautam
Arts & Sciences Graduate Student Theses and Dissertations
A stereo- and enantio-selective synthesis of lingzhiol has been achieved, mimicking a proposed biogenetic pathway via Brønsted acid-catalyzed semipinacol rearrangement of a 2,3-epoxy alcohol. A new and improved method was developed for alkylation of anilines using a domestic microwave oven. The resulting racemic chiral anilines were resolved via classical resolution and transformed into axially chiral thiazolylidene-based NHC organocatalysts, which were applied to asymmetric benzoin condensation.
End-Capping Strategies For Triggering End-To-End Depolymerization Of Polyglyoxylates, Bo Fan, John Trant, Elizabeth Gillies
End-Capping Strategies For Triggering End-To-End Depolymerization Of Polyglyoxylates, Bo Fan, John Trant, Elizabeth Gillies
Chemistry Publications
Polymers that undergo end-to-end depolymerization in response to the cleavage of a stimuli-responsive end-cap are promising for diverse applications from drug delivery to responsive coatings and plastics. It is critical that the end-cap is designed to respond to an appropriate stimulus for the application. In the current work, end-caps for triggering the depolymerization of poly(ethyl glyoxylate) (PEtG) were explored. First, a phenylboronate, a disulfi de, and an azobenzene were utilized to impart redox-responsive properties to PEtG. Then, methoxy-substituted trityl groups were used to provide sensitivity to mild acid. A multiresponsive platform was also introduced, allowing PEtG to respond to multiple …
Separation Of Nitrito- And Nitropentamminecobalt (Iii) Chloride By High Performance Liquid Chromatography, Tisha Hutchinson
Separation Of Nitrito- And Nitropentamminecobalt (Iii) Chloride By High Performance Liquid Chromatography, Tisha Hutchinson
Seton Hall University Dissertations and Theses (ETDs)
Reversed phase high performance liquid chromatography, chosen because of its ability to collect many data points over a long period of time with minimal involvement, was used to separate pentaamminenitritocobalt(III) chloride and pentaamminenitrocobalt(III) chloride. Pentaamminenitritocobalt(III) chloride was prepared, made into a concentrated solution, divided into aliquots and allowed to isomerize to pentaamminenitrocobalt(III) chloride over a period of twelve to eighteen hours. An injection was made approximately every forty-five minutes. The samples were analyzed at three wavelengths, 254 nm, 460 nm and 490 nm. The absorbance was collected and was used to determine the kinetics of the reaction.
The isomerization from …
In-Class Versus At-Home Quizzes: Which Is Better? A Flipped Learning Study In A Two-Site Synchronously-Broadcast Organic Chemistry Course, Michael A. Christensen, Alyssia M. Lambert, Louis S. Nadelson, Kami M. Dupree, Trish A. Kingsford
In-Class Versus At-Home Quizzes: Which Is Better? A Flipped Learning Study In A Two-Site Synchronously-Broadcast Organic Chemistry Course, Michael A. Christensen, Alyssia M. Lambert, Louis S. Nadelson, Kami M. Dupree, Trish A. Kingsford
Chemistry and Biochemistry Faculty Publications
We recently shared our design of a two-semester flipped organic chemistry course, in which we gave students in-class quizzes to incentivize attendance and watching the lecture videos in advance. With a second iteration, we planned to make the video-watching experience more engaging. We accordingly hypothesized that if students completed short at-home quizzes while watching the videos, then attentiveness, engagement, and learning would increase. We tested this with a later section of the course, dividing the material into 13 units. For units 1-6, we gave in-class quizzes; for 7-13, quizzes were at home. Although units 1-6 and 7-13 covered different material, …
Formulation Of Colloidal Suspensions Of 3-Mercaptopropionic Acid Capped Pbs Quantum Dots As Solution Processable Qd "Inks" For Optoelectronic Applications, Chase Collier Reinhart
Formulation Of Colloidal Suspensions Of 3-Mercaptopropionic Acid Capped Pbs Quantum Dots As Solution Processable Qd "Inks" For Optoelectronic Applications, Chase Collier Reinhart
Dissertations and Theses
The use of colloidal quantum dots (QDs) for photovoltaic energy conversion is a nascent field that has been dominated for well over a decade by the use of 3-mercaptopropionic acid (3-MPA) capped PbS QDs. These QDs are routinely deposited via an in situ solid state ligand exchange process that displaces the native oleate ligand on the PbS QD surface. This ligand exchange procedure is wasteful of material and has been demonstrated to leave numerous impurities that limit electronic performance of the as-deposited QD devices. Until the last few years there was very little understanding in chemical literature as to many …
Development Of An Hplc-Based Oligosaccharide Synthesizer, Salvatore Pistorio
Development Of An Hplc-Based Oligosaccharide Synthesizer, Salvatore Pistorio
Dissertations
Carbohydrates are the most abundant molecules on Earth. They are involved in a wide range of fundamental biological processes: anti-inflammation, immune response, joint lubrication, cell growth, antigenic determination. Carbohydrates are also held responsible for many damaging cellular processes, such as bacterial and viral infections, development of tumors, etc.. Therefore, the development of effective methods for the synthesis of complex carbohydrates has become a critical area of glycosciences. One challenge that stands out is the stereocontrol in the synthesis of glycosidic bonds, the linkage that serves as the only means to connect simple monosaccharides into complex oligomeric networks. Beyond this, the …
Phthalate Plasticizers Covalently Linked To Pvc Via Copper-Free Or Copper Catalyzed Axide-Alkyne Cycloadditions, Aruna Earla, Li Longbo, Philip Costanzo, Rebecca Braslau
Phthalate Plasticizers Covalently Linked To Pvc Via Copper-Free Or Copper Catalyzed Axide-Alkyne Cycloadditions, Aruna Earla, Li Longbo, Philip Costanzo, Rebecca Braslau
Chemistry and Biochemistry
Plasticization of PVC was carried out by covalently linking phthalate derivatives via copper-free (thermal) or copper catalyzed azide-alkyne cycloadditions. Di(2-ethylhexyl) phthalate derivatives (DEHP-ether and DEHP-ester) were synthesized and appended to PVC at two different densities. The glass transition temperatures of the modified PVC decreased with increasing content of plasticizer. PVC-DEHP-ether gave lower glass transition temperatures than PVC-DEHP-ester, reflecting the enhanced flexibility of the ether versus ester linker.
Scitech News Volume 70, No. 4 (2016)
Scitech News Volume 70, No. 4 (2016)
Sci-Tech News
Columns and Reports
From the Editor 3
Division News
Science-Technology Division 4
SLA Annual Meeting 2016 Report (S. Kirk Cabeen Travel Stipend Award recipient) 6
Reflections on SLA Annual Meeting (Diane K. Foster International Student Travel Award recipient) 8
SLA Annual Meeting Report (Bonnie Hilditch International Librarian Award recipient)10
Chemistry Division 12
Engineering Division 15
Reflections from the 2016 SLA Conference (SPIE Digital Library Student Travel Stipend recipient)15
Fundamentals of Knowledge Management and Knowledge Services (IEEE Continuing Education Stipend recipient) 17
Makerspaces in Libraries: The Big Table, the Art Studio or Something Else? (by Jeremy Cusker) 19
Aerospace Section of …
Over Or Under: Hydride Attack At The Metal Versus The Coordinated Nitrosyl Ligand In Ferric Nitrosyl Porphyrins., E G. Abucayon, R L. Khade, D R. Powell, Michael J. Shaw, Y Yang, G B. Richter-Addo
Over Or Under: Hydride Attack At The Metal Versus The Coordinated Nitrosyl Ligand In Ferric Nitrosyl Porphyrins., E G. Abucayon, R L. Khade, D R. Powell, Michael J. Shaw, Y Yang, G B. Richter-Addo
SIUE Faculty Research, Scholarship, and Creative Activity
Hydride attack at a ferric heme–NO to give an Fe–HNO intermediate is a key step in the global N--‐cycle. We demonstrate differential reactivity when six--‐ and five--‐coordinate ferric heme--‐NO models react with hydride. Although Fe–HNO formation is thermodynamically favored from this reaction, Fe–H formation is kinetically favored for the 5C case.
The Effect Of Mo Doping On The Charge Separation Dynamics And Photocurrent Performance Of Bivo4 Photoanodes, Brian Pattengale, Jier Huang
The Effect Of Mo Doping On The Charge Separation Dynamics And Photocurrent Performance Of Bivo4 Photoanodes, Brian Pattengale, Jier Huang
Chemistry Faculty Research and Publications
Doping with electron-rich elements in BiVO4 photoanodes has been demonstrated as a desirable approach for improving their carrier mobility and charge separation efficiency. However, the effect of doping and dopant concentration on the carrier dynamics and photoelectrochemical performance remains unclear. In this work, we examined the effects of Mo doping on the charge separation dynamics and photocurrent performance in BiVO4photoanodes. We show that the photocurrent of BiVO4 photoanodes increases with increasing concentration of the Mo dopant, which can be attributed to both the improved carrier mobility resulting from increased electron density and charge separation efficiency due …
Untangling Amyloid: Slowing The Progression Of Alzheimer’S Disease And Type 2 Diabetes, David Moffet
Untangling Amyloid: Slowing The Progression Of Alzheimer’S Disease And Type 2 Diabetes, David Moffet
Faculty Pub Night
No abstract provided.
Polyol Induced Partitioning Of Essential Oils In Aqueous Organic Solvent Mixtures, Thomas Delmastro
Polyol Induced Partitioning Of Essential Oils In Aqueous Organic Solvent Mixtures, Thomas Delmastro
Seton Hall University Dissertations and Theses (ETDs)
Polyol Induced Extraction (PIE) was developed and patented at Seton Hall University by Drs. John R. Sowa Jr., Wyatt R. Murphy, and Mithilesh Deshpande. It was originally discovered and implemented as a method to recycle and reuse waste acetonitrile during the production shortage in 2008. Through the use of PIE, a solvent mixture containing acetonitrile and water can be separated by employing a polyol mass separating agent, which induces a phase separation. The system is separated into its corresponding aqueous and organic phases, with the organic phase being a highly purified organic liquid. Based on the successful experimental results that …
The Subject Librarian Newsletter, Chemistry, Fall 2016, Sandy Avila
The Subject Librarian Newsletter, Chemistry, Fall 2016, Sandy Avila
Libraries' Newsletters
No abstract provided.
Investigations Into The Effects Of Water Exchange And The Structure Of Lanthanide Chelates, Katherine Marie Payne
Investigations Into The Effects Of Water Exchange And The Structure Of Lanthanide Chelates, Katherine Marie Payne
Dissertations and Theses
Lanthanide chelates are effective agents for improving contrast in MR images. Optimizing the relaxation of inner sphere water molecules is a common focus of research in this field. However, the efforts to design an optimal contrast agent have commonly over-looked the relationship of water position and water exchange kinetics. This work explores structural conformation, the impact of very fast water exchange kinetics on hydration, and differing tumbling rates for regioisomers of a number of lanthanide chelates. We have grown crystals of LnDOTMA and obtained structural data by X-ray diffraction that provide a picture of the chelate during water exchange and …
An Examination Of Student Outcomes In Studio Chemistry, Alan L. Kiste, Gregory E. Scott, Jesse Paul Bukenberger, Miles Markmann, Jennifer Moore
An Examination Of Student Outcomes In Studio Chemistry, Alan L. Kiste, Gregory E. Scott, Jesse Paul Bukenberger, Miles Markmann, Jennifer Moore
Chemistry and Biochemistry
Twenty years ago, a major curriculum revision at a large, comprehensive university in the Western United States led to the implementation of an integrated lecture/laboratory (studio) experience for our engineering students taking general chemistry. Based on these twenty years of experience, construction of four purpose-built studio classrooms to house the majority of the remaining general chemistry courses was completed in 2013. A detailed study of the effects of the entire ecology of the studio experience on student success was initiated at that time. Data from content knowledge pre- and post-tests, learning attitudes surveys, and student course evaluations show positive effects …
Secondary Structure Adopted By The Gly-Gly-X Repetitive Regions Of Dragline Spider Silk, Geoffrey M Gray, Arjan Van Der Vaart, Chengchen Guo, Justin Jones, David Onofrei, Brian R Cherry, Randolph V Lewis, Jeffery L Yarger, Gregory P Holland
Secondary Structure Adopted By The Gly-Gly-X Repetitive Regions Of Dragline Spider Silk, Geoffrey M Gray, Arjan Van Der Vaart, Chengchen Guo, Justin Jones, David Onofrei, Brian R Cherry, Randolph V Lewis, Jeffery L Yarger, Gregory P Holland
Chemistry Faculty Publications
Solid-state NMR and molecular dynamics (MD) simulations are presented to help elucidate the molecular secondary structure of poly(Gly-Gly-X), which is one of the most common structural repetitive motifs found in orb-weaving dragline spider silk proteins. The combination of NMR and computational experiments provides insight into the molecular secondary structure of poly(Gly-Gly-X) segments and provides further support that these regions are disordered and primarily non-β-sheet. Furthermore, the combination of NMR and MD simulations illustrate the possibility for several secondary structural elements in the poly(Gly-Gly-X) regions of dragline silks, including β-turns, 3
A Grand Unified Model For Liganded Gold Clusters, Wen Wu Xu, Beien Zhu, Xiao Cheng Zeng, Yi Gao
A Grand Unified Model For Liganded Gold Clusters, Wen Wu Xu, Beien Zhu, Xiao Cheng Zeng, Yi Gao
Xiao Cheng Zeng Publications
A grand unified model (GUM) is developed to achieve fundamental understanding of rich structures of all 71 liganded gold clusters reported to date. Inspired by the quark model by which composite particles (for example, protons and neutrons) are formed by combining three quarks (or flavours), here gold atoms are assigned three ‘flavours’ (namely, bottom, middle and top) to represent three possible valence states. The ‘composite particles’ in GUM are categorized into two groups: variants of triangular elementary block Au3(2e) and tetrahedral elementary block Au4(2e), all satisfying the duet rule (2e) of the valence shell, akin to …