bluuebunny/crossref_metadata_2025_split huggingface dataset:
Controlled aggregation properties of threonine modified by protecting groups to unusual self‐assembled structures
Authors: Gour Nidhi , Kshtriya Vivekshinh , Koshti Bharti , Patel Monisha , Boukhvalov Danil W. 
Published: June 2023

AbstractWe report for the very first time the controlled structural changes in the self‐assemblies of N‐(9‐fluorenylmethoxycarbonyl)‐O‐tert‐butyl‐l‐threonine (Fmoc‐Thr(tBu)‐OH) (FTU) to well defined unique morphologies. The self‐assembling properties of FTU were very interesting and intriguing as it resulted in the formation of unusual structures which resembles fibrous dumbbells and double‐sided broomstick‐like morphologies along with conventional spheres and rods under controlled conditions of concentration and temperature. The self‐assembly of other derivatives of threonine as well as another hydroxyl containing amino acid with same modification that is, ((N‐(9H‐fluoren‐9‐yl)methoxy)carbonyl)‐O‐(tert‐butyl)‐l‐serine (Fmoc‐Ser(tBu)‐OH) (FSU) was also studied to understand the crucial role of –Fmoc, ‐tBu and an additional –CH3 group present in the structure of FTU in the process of self‐assembly. Solvent dependent morphological studies of FTU and FSU suggest important role of solubility parameters and crystallization in formation of these unusual structures. The control experiments of co‐incubation with tannic acid and urea and solution state 1H‐NMR studies elucidate π–π stacking interactions as the key driving force for the structure formation. Further, the interactions which can occur between pairs of FTU and FSU which cause initial self‐assembly was studied theoretically via computational modeling. These studies suggest pair of FTU can either interact via head‐to‐head (HH) or head‐to‐tail (HT) configurations and the most favorable probabilities of either of these interactions lead to morphological transitions in FTU self‐assembly under varying conditions. The studies reported herein hence demonstrate that bioorganic molecules like protected single amino acids can be efficiently used as scaffold for self‐assembly and provide a very simple and facile bottom‐up‐approach for the design of uncommon novel micro/nanoarchitects for multifarious applications.
Solar cell efficiency tables (version 62)
Authors: Green Martin A. , Dunlop Ewan D. , Yoshita Masahiro , Kopidakis Nikos , Bothe Karsten , Siefer Gerald , Hao Xiaojing 
Published: June 2023

AbstractConsolidated tables showing an extensive listing of the highest independently confirmed efficiencies for solar cells and modules are presented. Guidelines for inclusion of results into these tables are outlined, and new entries since January 2023 are reviewed.
Registration of ‘Cedar Creek’ switchgrass
Authors: Casler Michael D. , Lee DoKyoung 
Published: June 2023

Abstract‘Cedar Creek’ (Reg. no. CV‐290, PI 700113) switchgrass (Panicum virgatum L.) was selected for increased winter survivorship for three cycles, using surviving plants from ‘Kanlow’. The first two cycles were conducted at multiple locations in Wisconsin, and the third cycle was conducted at the Cedar Creek Ecosystem Science Reserve, East Bethel, MN. All seed production and increases were conducted by either Illinois State University or the University of Illinois. Field evaluations of the third‐cycle population were conducted at five locations in Wisconsin between 2017 and 2021, located within USDA hardiness zones 3–5. Field experiments were planted in both 2016 and 2017. Averaged over the five locations and all trial years, Cedar Creek had 91% ground cover, compared with 96% for Cave‐in‐Rock, 95% for Shawnee, and 91% for Liberty. Biomass yield of Cedar Creek averaged 12.17 Mg ha−1, which was 20% higher than Liberty, 30% higher than Cave‐in‐Rock, 31% higher than Shawnee, and 520% higher than Kanlow. Cedar Creek is a high‐biomass lowland‐type of switchgrass and is the first lowland‐type adapted to USDA hardiness zones 3–5. Cedar Creek was released to the public by USDA‐ARS in 2021.
Shining a light on the dark proteome: Non‐canonical open reading frames and their encoded miniproteins as a new frontier in cancer biology
Authors: Posner Zoe , Yannuzzi Ian , Prensner John R. 
Published: June 2023

AbstractIn the decades following the discovery that genes encode proteins, scientists have tried to exhaustively and comprehensively characterize the human genome. Recent advances in computational methods along with transcriptomic and proteomic techniques have now shown that historically non‐coding genomic regions may contain non‐canonical open reading frames (ncORFs), which may encode functional miniproteins or otherwise exert regulatory activity through coding‐independent functions. Increasingly, it is clear that these ncORFs may play critical roles in major human diseases such as cancer. In this review, we summarize the history and current progress of ncORF research and explore the known functions of ncORFs and the miniproteins they may encode. We particularly highlight the emerging body of evidence supporting a role for ncORFs and miniproteins contributions in cancer. Finally, we provide a blueprint for high‐priority areas of future research for ncORFs in cancer, focusing on ncORF detection, functional characterization, and therapeutic intervention.
Dynamical Analysis in Chameleon Dark Energy
Authors: Paliathanasis Andronikos 
Published: June 2023

AbstractA detailed analysis of the phase‐space for the field equations in scalar field cosmology with a chameleon cosmology in a spatially flat Friedmann–Lemaître–Robertson–Walker spacetime is presented. For the matter source it is assumed that it is an ideal gas with a constant equation of state parameter, while for the scalar field potential and the coupling function of the chameleon mechanism it is considered that four different sets which provide four different models. The H‐normalization approach and the field equations with the help of dimensionless variables written is considered. The asymptotic solutions are determined from where the theory can describe the main eras of cosmological history and evolution that are found. Future attractors which describe acceleration exist; however, acceleration solutions related to the inflationary era is found in past, as also the radiation epoch and the matter dominated eras are provided by the dynamics. The Chameleon dark energy model can be used as a unified model for the elements which contribute to the dark sector of the universe that are concluded.
MOC 102: Get more out of MOC systems than “just managing changes”
Authors: Faulk Nancy , Costa da Fonseca Camila 
Published: June 2023

AbstractManagement of change (MOC) is the cornerstone of a successful risk‐based process safety (RBPS) program. Safe operation and maintenance of facilities that manufacture or store hazardous chemicals require robust process safety management (PSM) systems. The MOC element of RBPS program establishes a formal, documented authorization process to manage changes that may introduce unexpected new hazards or increase the risk of existing ones. Most companies have established MOC systems to evaluate and approve (or reject) proposed changes, leading managers and supervisors to assume that this PSM element is well in hand. Now that the MOC system is up and running, however, have you noticed “backsliding”, complacency, or just going through the motions? Or, perhaps there is reasonably good usage of the system in your company, but you consider that there ought to be more value to be gotten from the MOC system data.
Extrachromosomal DNA‐mediated glyphosate resistance in Italian ryegrass
Authors: Koo Dal‐Hoe , Ju Yoonha , Putta Karthik , Sathishraj Rajendran , Roma‐Burgos Nilda , Jugulam Mithila , Friebe Bernd , Gill Bikram S. 
Published: June 2023

AbstractBackgroundAn Italian ryegrass population from Arkansas, USA developed glyphosate resistance due to 5‐enolpyruvylshikimate‐3‐phosphate synthase (EPSPS) gene amplification. The plants in this population with approximately 70 EPSPS copies were used in the present study for the physical mapping of amplified copies of EPSPS gene to determine the possible mechanism of EPSPS gene amplification conferring glyphosate resistance in Italian ryegrass.ResultFluorescence in situ hybridization (FISH) analysis of glyphosate resistant (GR) Italian ryegrass plants with approximately 70 EPSPS copies displayed EPSPS hybridization signals randomly on most of the metaphase chromosomes. Glyphosate susceptible (GS) Italian ryegrass plants with one EPSPS copy displayed single prominent EPSPS hybridization signal, which was co‐localized with 5S rDNA locus along with few additional signals on the outside of chromosomes. Pulsed‐field gel electrophoresis (PFGE) followed by DNA blot using EPSPS gene as a probe identified a prominent EPSPS hybridization around the 400 kb region in GR DNA samples, but not in GS DNA samples.ConclusionWe report the extrachromosomal DNA‐mediated glyphosate resistance in Italian ryegrass. Physical mapping of amplified copies of EPSPS gene in Italian ryegrass by FISH gives us a clue that the amplified copies of EPSPS gene may be present in the extrachromosomal DNA elements. Further analysis by PFGE followed by DNA blotting revealed that the extrachromosomal DNA containing EPSPS is approximately 400 kb similar in size with that of eccDNA replicon in Amaranthus palmeri. © 2023 Society of Chemical Industry.
Immunosuppressive therapy selectively modulates B‐cell responses in patients with rheumatic and musculoskeletal diseases receiving the inactivated COVID‐19 vaccine
Authors: Li Rui , Guo Ruru , Li Jia , Zheng Bing , Xu Ronghao , Jiang Xiaoyue , Chen Yingying , Tang Guo , Li Qianqian , Li Yixuan , Feng Jiaqi , Chen Xiaoxiang , Wang Ying , Ye Shuang , Du Fang , Lu Liangjing , Deng Jun 
Published: June 2023

AbstractBackgroundImmunosuppressive medication reduces the immunogenicity of the coronavirus disease 2019 (COVID‐19) vaccines in patients with rheumatic and musculoskeletal diseases (RMDs). However, the underlying mechanism remains unclear. The primary aim of our study was to dissect the impact of immunosuppressive medication on cellular and humoral immune responses in RMD patients receiving the inactivated COVID‐19 vaccine.MethodsA total of 28 RMD patients and five healthy controls (HCs) receiving two doses of the inactivated COVID‐19 vaccine (Sinovac‐CoronaVac) were prospectively enrolled. Blood samples were collected before the primary vaccination (Week 0) and one week after the second vaccination (Week 5). Neutralizing antibody (nAb) titers and autoantibody titers were measured by a pseudovirus‐based neutralization assay and enzyme‐linked immunosorbent assay, respectively. CD4+ T‐cell and CD19+ B‐cell subsets and serum cytokines were analyzed by flow cytometry.ResultsThe inactivated COVID‐19 vaccine was immunogenic in RMD patients and HCs after the second vaccination, but the nAb titers were lower in RMD patients than those in HCs. Only patients with systemic lupus erythematosus (SLE) had notably increased nAb titers. Remarkably, IgG+CD27+, IgG+IgG1+, and IgG+IgG1− B cells were reduced, whereas IgG−IgG1+ B cells, and total IgA and IgG titers were markedly increased. However, Tfh cell and Tfr cell subsets and cytokines produced by Tfh cells were not increased. The flare rate was low in RMD patients with comparable autoantibody titers, unchanged CD4+ T cell subsets and serum pro‐inflammatory cytokines (interleukin [IL]‐6, IL‐17, interferon‐γ, and tumor necrosis factor‐α) after the second vaccination.ConclusionsImmunosuppressive therapy decreased the immunogenicity of the vaccine and maintained a low flare rate by selectively modulating B cell but not CD4+ T cell responses in RMD patients receiving the inactivated COVID‐19 vaccine. Optimization of the treatment regimen might ensure a durable and robust COVID‐19 vaccination response.
Decentralized adaptive tracking control for a class of interconnected nonlinear systems via dynamic high‐gain technique
Authors: Xu Lin‐Xing , Wang Yu‐Long , Wang Xiaofan , Ma Hong‐Jun 
Published: June 2023

AbstractIn this article, the problem of decentralized adaptive tracking control for a class of interconnected nonlinear systems is investigated, in which the interconnection term in each subsystem is related to the states of all subsystems. By utilizing the backstepping controller design method and dynamic high‐gain technique, two kinds of decentralized adaptive control schemes are developed. Some dynamic parameters are introduced into the controllers to counteract the effects of interactions among subsystems. Moreover, with the aid of graph theory, it is shown that all signals of the closed‐loop system are bounded. The novelty of the proposed method lies in that the tracking accuracy of each subsystem can be preset without adjusting the controller parameters. Finally, two illustrative examples are presented to demonstrate the efficiency of the proposed schemes.
Bayesian multivariate longitudinal model for immune responses to Leishmania: A tick‐borne co‐infection study
Authors: Pabon‐Rodriguez Felix M. , Brown Grant D. , Scorza Breanna M. , Petersen Christine A. 
Published: June 2023

AbstractWhile many Bayesian state‐space models for infectious disease processes focus on population infection dynamics (eg, compartmental models), in this work we examine the evolution of infection processes and the complexities of the immune responses within the host using these techniques. We present a joint Bayesian state‐space model to better understand how the immune system contributes to the control of Leishmania infantum infections over the disease course. We use longitudinal molecular diagnostic and clinical data of a cohort of dogs to describe population progression rates and present evidence for important drivers of clinical disease. Among these results, we find evidence for the importance of co‐infection in disease progression. We also show that as dogs progress through the infection, parasite load is influenced by their age, ectoparasiticide treatment status, and serology. Furthermore, we present evidence that pathogen load information from an earlier point in time influences its future value and that the size of this effect varies depending on the clinical stage of the dog. In addition to characterizing the processes driving disease progression, we predict individual and aggregate patterns of Canine Leishmaniasis progression. Both our findings and the application to individual‐level predictions are of direct clinical relevance, presenting possible opportunities for application in veterinary practice and motivating lines of additional investigation to better understand and predict disease progression. Finally, as an important zoonotic human pathogen, these results may support future efforts to prevent and treat human Leishmaniosis.
Water‐Dispersable Silica‐Supported Nanocrystalline Pb‐Free Perovskite Rb7Bi3Cl16@SiO2 for ATP‐Responsive Bio‐Imaging
Authors: Huang Sai , Yu Zhang‐Cong , Xie Jie‐Ling , Wang Ao , Li Jin‐Kun , Meng Yan , Song Jun‐Ling 
Published: June 2023

AbstractLead‐free perovskite nanocrystal has attracted more and more attention due to its low toxicity and highly luminescence, however, its low stability in water and biotoxicity greatly limits its practical application in sensing in aqueous media, especially, biological imaging. Herein, we develop water‐dispersed Bi‐based perovskite nanocrystals (NCs) coated with SiO2, namely, Rb7Bi3Cl16 NCs@SiO2, where Rb7Bi3Cl16 NCs@SiO2 powder could be obtained through a simply mixing Rb7Bi3Cl16 nanocrystals dispersed in toluene and 3‐aminopropyltriethoxysilane (APTES). Comparison with Rb7Bi3Cl16 nanocrystals (NCs), the photoluminescence (PL) spectra of the Rb7Bi3Cl16 NCs@SiO2 dispersed in water is slight red‐shifted to 445 nm; in addition, its PL quantum yield (PLQY) is increased from 28.43 % of Rb7Bi3Cl16 NCs to 37.03 % owing to the surface passivation and coating of SiO2 from the hydrolysis of APTES. Therefore, this water‐stable, highly luminescent and low‐cytotoxic Rb7Bi3Cl16 NCs@SiO2 nanoparticles can be applied to cell imaging. Furthermore, the tannic acid modified Rb7Bi3Cl16 NCs@SiO2 exhibits adenosine‐5′‐triphosphate disodium salt (ATP) response performance, indicating its potential application in bio‐imaging and biomedicine.
Discovery of Potential KRAS‐SOS1 Inhibitors from South African Natural Compounds: An In silico Approach
Authors: Issahaku Abdul Rashid , Salifu Elliasu Y. , Agoni Clement , Alahmdi Mohammed Issa , Abo‐Dya Nader E , Soliman Mahmoud E. S. , Rudrapal Mithun , Podila Naresh 
Published: June 2023

AbstractFor decades the direct targeting of KRAS as a driver of non‐small cell lung cancer, colorectal and pancreatic cancers as well as the inhibition of the RAF‐MEK‐ERK pathway has shown little success due to feedback networks that keep the pathway in control. Inhibiting SOS1, a KRAS activator, has therefore become a promising escape route to treating KRAS‐driven cancers. The search for SOS1 inhibitors has since gained momentum although no drug has been approved yet. Owing to the time‐consuming and difficult processes that characterize the discovery and approval of drugs, natural products have become useful in addressing the unmet medical needs. In this study we employed computational techniques to screen South African natural products for inhibitors with the potential to inhibit SOS1‐KRAS activation. In this study, eight natural compounds, from plants and marine life, possessing antineoplastic activities with good docking and ADMET properties were identified. These compounds, viz., SANCDB00219, SANCDB0290, SANCDB00369, SANCDB00416, SANCDB00421, SANCDB00749, SANCDB00957 and SANCDB001124 exhibited favorable total free binding energies in complex with SOS1‐KRAScharacterized by conventional and carbon hydrogen bonds, van der Waals, pi‐alkyl and pi‐sigma interactions with the binding site residues. It was further revealed that these compounds induced conformational stability on the structural architecture of SOS1‐KRAS, and decreased the structural flexibility of its individual C‐α atoms as a mechanism of inhibition. Upon experimental validation, these compounds from a natural origin could serve as lead identification of small molecules to address SOS1‐KRAS associated diseases.
Solution Combustion Synthesis of NiS‐NiS2 Nanoparticles for Catalytic Reduction of Nitro Aromatics
Authors: Manjula M. C. , Manjunatha S. , Nagashree K. L. , Shivanna M. , Rao Madhuri P. , Nanda N. , Ramachandra P. 
Published: June 2023

AbstractExploring an efficient and economic reductant for nitro aromatics is of great significance for environmental remediation. In this work, nickel sulfide catalysts have been prepared by simple solution combustion method from a mixture of nickel(II) nitrate hexahydrate as oxidant (O) and thiourea as fuel (F) in different ratios. The phase and crystallinity, composition and morphology of synthesized samples were obtained by X‐ray diffraction (XRD), Field emission scanning electron microscopy (FESEM), Transmission electron microscopy (TEM), X‐ray photoelectron spectroscopy (XPS), Raman spectroscopy and Fourier transform infrared (FTIR) techniques. The catalytic efficiency of as synthesized nickel sulfide nanoparticles towards reduction of 4‐nitrophenol (4‐NP) as a model compound using sodium borohydride as the reducing agent was explored. The catalyst prepared with 1 : 3 O/F ratio that composed of NiS and NiS2 phases exhibited highest efficiency towards catalytic reduction of 4‐NP and the rate constant was found to be 0.429 min−1. Further, the catalyst could effectively reduce the nitro group in 2‐nitroaniline, 4‐nitroaniline and picric acid also. Reduced products of 2‐nitroaniline and 4‐nitrophenol were employed for the synthesis of benzimidazole and paracetamol successfully.
A New Neodymium Complex on Boehmite Nanoparticles with 1,3‐Bis(pyridine‐3‐ylmethyl)thiourea as a Practical and Reusable Nanocatalyst for the Chemoselective Synthesis of Tetrazoles
Authors: Tyula Yunes Abbasi , Moradi Parisa , Nikoorazm Mohsen 
Published: June 2023

AbstractIn first part, boehmite nanoparticles were synthesized using aqueous solutions of NaOH and Al(NO3)3 ⋅ 9H2O. Then, it surface was modified by 3‐choloropropyltrimtoxysilane, and further 1,3‐bis(pyridin‐3‐ylmethyl)thiourea was anchored on the modified boehmite nanoparticles. In the final step, a neodymium complex was stabilized on its surface (Nd‐bis(PYT)@boehmite NPs). The obtained nanoparticles were characterized by TGA, BET, ICP, EDS, WDX, SEM, and XRD techniques. In the second part, Nd‐bis(PYT)@boehmite NPs were employed as an efficient, recoverable, and organic‐inorganic hybrid nanocatalyst in the homo‐selective synthesis of tetrazole compounds. The chemoselectivity of Nd‐bis(PYT)@boehmite NPs was studied in the [3+2] cycloaddition of phthalonitrile and sodium azide (NaN3). This catalyst is stable and has heterogeneous nature therefore it can be recovered and used again for several consecutively run without any re‐activation
Synthesis and Structural Analysis of N3‐Methyluridine and 2’‐Alkoxy/Fluoro‐N3‐Methyluridine Nucleosides by Using NMR Spectroscopy, X‐Ray Crystallography, and Computational Methods
Authors: Sahoo Avijit , Das Gourav , Choudhary Nishant Kumar , Harikrishna S. , Gore Kiran R. 
Published: June 2023

AbstractDual modifications (base and sugar) in siRNA have the potential to overcome off‐target effects and impart nuclease resistance. Here we present the synthesis and detailed structural analysis of N3‐methyluridine and 2’‐alkoxy/fluoro‐N3‐methyluridine modifications, the rationally designed modifications for oligonucleotide therapeutics. Using X‐ray crystallography and 1H NMR spectral data, it is clear that the C2’‐endo conformation of N3‐methyluridine switches to the C3’‐endo pucker state preferentially due to the introduction of electron‐withdrawing 2’‐alkoxy or fluoro substituents. DFT study confirms that the modifications preferentially acquire the C3’‐endo conformation. NBO analysis indicates that in the presence of the 2’‐alkoxy/fluoro substituents, the C3’‐endo conformation is stabilized due to nO4’→σ*C1’‐N1 anomeric as well as σC3’‐H→σ*C2’‐R and σC1’‐C2’→σ*C3’‐OH hyperconjugation effects. The W−C hydrogen bond energies of the modified nucleosides were calculated using the DFT and SAPT methods at the modified base pair regions, and it was observed that one of the hydrogen bonds gets disrupted due to the presence of the N3‐methyl group, causing significant decline in hydrogen bond energy. These detailed structural studies will help to expand the scope of these destabilizing modifications in the rational design of RNAi‐based therapeutics.