bluuebunny/crossref_metadata_2025 huggingface dataset:
CRISPR/Cas9‐mediated resistance to cauliflower mosaic virus
Authors: Liu Haijie , Soyars Cara L. , Li Jianhui , Fei Qili , He Guijuan , Peterson Brenda A. , Meyers Blake C. , Nimchuk Zachary L. , Wang Xiaofeng
Published: April 2018

Viral diseases are a leading cause of worldwide yield losses in crop production. Breeding of resistance genes (R gene) into elite crop cultivars has been the standard and most cost‐effective practice. However, R gene‐mediated resistance is limited by the available R genes within genetic resources and in many cases, by strain specificity. Therefore, it is important to generate new and broad‐spectrum antiviral strategies. The CRISPR‐Cas9 (clustered regularly interspaced palindromic repeat, CRISPR‐associated) editing system has been employed to confer resistance to human viruses and several plant single‐stranded DNA geminiviruses, pointing out the possible application of the CRISPR‐Cas9 system for virus control. Here, we demonstrate that strong viral resistance to cauliflower mosaic virus (CaMV), a pararetrovirus with a double‐stranded DNA genome, can be achieved through Cas9‐mediated multiplex targeting of the viral coat protein sequence. We further show that small interfering RNAs (siRNA) are produced and mostly map to the 3′ end of single‐guide RNAs (sgRNA), although very low levels of siRNAs map to the spacer region as well. However, these siRNAs are not responsible for the inhibited CaMV infection because there is no resistance if Cas9 is not present. We have also observed edited viruses in systematically infected leaves in some transgenic plants, with short deletions or insertions consistent with Cas9‐induced DNA breaks at the sgRNA target sites in coat protein coding sequence. These edited coat proteins, in most cases, led to earlier translation stop and thus, nonfunctional coat proteins. We also recovered wild‐type CP sequence in these infected transgenic plants, suggesting these edited viral genomes were packaged by wild‐type coat proteins. Our data demonstrate that the CRISPR‐Cas9 system can be used for virus control against plant pararetroviruses with further modifications.
Effect of mass of pristine carbon nanotubes on the photolysis of phenylalanine
Authors: Humeres Eduardo , de Souza Eduardo Pinheiro , Debacher Nito Angelo , Lopes Cristiane Nunes , Moreira Regina de F.P.M. , Santaballa J. Arturo , Canle L. Moisés
Published: April 2018

Photolyses at 254 nm of aqueous solutions of phenylalanine (Phe) were carried out at 25°C in the absence and presence of multiwalled carbon nanotubes (CNT). The photolyses were performed in distilled, deoxygenated water and inert Ar atmosphere or in distilled water and air atmosphere. Kinetics of the photolyses were followed by UV spectrophotometry at 220 nm. Initial rates were obtained from the plot of ΔA versus Δt, both in the presence of CNT (ΔA/Δt = p*) and in their absence (ΔA/Δt = 
). The ratio p*/
gave the ratio k*/
of the rate constants of the photolysis in the presence and in the absence of nanotubes, respectively. The mass of nanotubes produced an exponential attenuation of the photolytic decomposition of Phe with minor formation of tyrosine and an attenuation constant κ of the shielding effect of the nanotubes against the photolytic degradation of the amino acid. The results show the effects of CNT on the photolysis of Phe and support the previously observed attenuation effect of carbons on the denaturalizatoion of amino acids and proteins. It is concluded that carbons produce a shielding effect on the photolysis, absorbing the photons and decreasing substantially their denaturalization while at the same time excites the active sites of the carbon for the insertion reaction of the organic moiety.
Neutrophil elastase correlates with increased sphingolipid content in cystic fibrosis sputum
Authors: Karandashova Sophia , Kummarapurugu Apparao , Zheng Shuo , Kang Le , Sun Shumei , Rubin Bruce K. , Voynow Judith A.
Published: April 2018

Introduction

Sphingolipids are associated with the regulation of pulmonary inflammation. Although sphingolipids have been investigated in the context of cystic fibrosis (CF), the focus has been on loss of CF transmembrane conductance regulator (CFTR) function in mice, and in CF human lung epithelial cell lines. The sphingolipid content of CF sputum and the potential link between ceramide and airway inflammation in CF remain relatively unexplored.

Methods

Fifteen patients with CF provided two spontaneously expectorated sputum samples, one collected during a hospitalization for an acute pulmonary exacerbation and one from an outpatient visit at a time of clinical stability. Sputum was processed, and the supernatant assessed for active neutrophil elastase (NE) using a chromogenic microplate assay and sphingolipid content using reverse phase high‐performance liquid chromatography/electrospray ionization tandem mass spectrometry (HPLC‐ESI‐MS/MS). Relevant demographic data including age, sex, CF genotype, FEV1 % predicted, and sputum bacteriology were assessed as possible modifying factors that could influence the correlation between NE and sputum sphingolipids. Data were analyzed for linear correlation, with statistical significance pre‐defined as P < 0.05.

Results

There was a significant association between the concentration of active NE and ceramide, sphingomyelin, and monohexosylceramide moieties as well as sphingosine‐1‐phosphate. The presence of Methicillin‐resistant Staphylococcus aureus (MRSA), FEV1 % predicted, and female gender further strengthened the association of NE and sphingolipids, but Pseudomonas aeruginosa had no effect on the association between NE and sphingolipids.

Conclusions

These data suggest that NE may increase pro‐inflammatory sphingolipid signaling, and the association is strengthened in female patients and patients with MRSA.
Increased cytokines in cystic fibrosis patients’ upper airways during a new P. aeruginosa colonization
Authors: Jaudszus Anke , Arnold Christin , Hentschel Julia , Hünniger Kerstin , Baier Michael , Mainz Jochen G.
Published: April 2018

Objectives

Previously, we found linkages of inflammatory mediator levels in CF upper airways (UAW) sampled by nasal lavage (NL) to disease severity and to chronic pathogen colonization such as Pseudomonas aeruginosa (PsA). Here, we assess UAW cytokine dynamics in CF patients with a new PsA colonization.

Methods

We measured cytokines in 149 longitudinally obtained NL samples from 34 CF patients. Cytokine concentrations determined prior to, at the time of de novo PsA detection in either UAW or lower airways (LAW), and in a subsequent PsA free period in newly colonized patients (PsA‐new/n = 7) were compared to levels of not‐ (PsA‐free/n = 13) and chronically colonized patients (PsA‐chron/n = 14). Moreover, serological and clinical data were compiled.

Results

Concentrations of IL‐1ß, IL‐6, and IL‐8 in samples taken prior to new PsA detection were comparable with PsA‐free patients. At the time of PsA detection and, most interestingly, irrespective of whether PsA occurred in the UAW or LAW, IL‐8 increased (P = 0.009) and IL‐6 tended to increase (P = 0.081). In these patients, detection of PsA was not related to elevated PsA antibody‐titers. In comparison, NL of PsA‐chron patients revealed generally lower IL‐8 and IL‐1β concentrations as in PsA‐free patients, most likely due to a consequent antibiotic and anti‐inflammatory therapy (eg, with azithromycin).

Conclusions

Monitoring cytokine dynamics in the UAW by serial NL sampling may be valuable in the early phase of PsA acquisition and, thus, increase the chance to adjust treatment options early and more specifically.
Rifampin modulation of xeno‐ and endobiotic conjugating enzyme mRNA expression and associated microRNAs in human hepatocytes
Authors: Gufford Brandon T. , Robarge Jason D. , Eadon Michael T. , Gao Hongyu , Lin Hai , Liu Yunlong , Desta Zeruesenay , Skaar Todd C.
Published: April 2018

Rifampin is a pleiotropic inducer of multiple drug metabolizing enzymes and transporters. This work utilized a global approach to evaluate rifampin effects on conjugating enzyme gene expression with relevance to human xeno‐ and endo‐biotic metabolism. Primary human hepatocytes from 7 subjects were treated with rifampin (10 μmol/L, 24 hours). Standard methods for RNA‐seq library construction, EZBead preparation, and NextGen sequencing were used to measure UDP‐glucuronosyl transferase UGT, sulfonyltransferase SULT, N acetyltransferase NAT, and glutathione‐S‐transferase GST mRNA expression compared to vehicle control (0.01% MeOH). Rifampin‐induced (>1.25‐fold) mRNA expression of 13 clinically important phase II drug metabolizing genes and repressed (>1.25‐fold) the expression of 3 genes (P < .05). Rifampin‐induced miRNA expression changes correlated with mRNA changes and miRNAs were identified that may modulate conjugating enzyme expression. NAT2 gene expression was most strongly repressed (1.3‐fold) by rifampin while UGT1A4 and UGT1A1 genes were most strongly induced (7.9‐ and 4.8‐fold, respectively). Physiologically based pharmacokinetic modeling (PBPK) was used to simulate the clinical consequences of rifampin induction of CYP3A4‐ and UGT1A4‐mediated midazolam metabolism. Simulations evaluating isolated UGT1A4 induction predicted increased midazolam N‐glucuronide exposure (~4‐fold) with minimal reductions in parent midazolam exposure (~10%). Simulations accounting for simultaneous induction of both CYP3A4 and UGT1A4 predicted a ~10‐fold decrease in parent midazolam exposure with only a ~2‐fold decrease in midazolam N‐glucuronide metabolite exposure. These data reveal differential effects of rifampin on the human conjugating enzyme transcriptome and potential associations with miRNAs that form the basis for future mechanistic studies to elucidate the interplay of conjugating enzyme regulatory elements.
An evaluation of the trimmed mean approach in clinical trials with dropout
Authors: Wang Ming‐Dauh , Liu Jiajun , Molenberghs Geert , Mallinckrodt Craig
Published: April 2018

The trimmed mean is a method of dealing with patient dropout in clinical trials that considers early discontinuation of treatment a bad outcome rather than leading to missing data. The present investigation is the first comprehensive assessment of the approach across a broad set of simulated clinical trial scenarios. In the trimmed mean approach, all patients who discontinue treatment prior to the primary endpoint are excluded from analysis by trimming an equal percentage of bad outcomes from each treatment arm. The untrimmed values are used to calculated means or mean changes. An explicit intent of trimming is to favor the group with lower dropout because having more completers is a beneficial effect of the drug, or conversely, higher dropout is a bad effect. In the simulation study, difference between treatments estimated from trimmed means was greater than the corresponding effects estimated from untrimmed means when dropout favored the experimental group, and vice versa. The trimmed mean estimates a unique estimand. Therefore, comparisons with other methods are difficult to interpret and the utility of the trimmed mean hinges on the reasonableness of its assumptions: dropout is an equally bad outcome in all patients, and adherence decisions in the trial are sufficiently similar to clinical practice in order to generalize the results. Trimming might be applicable to other inter‐current events such as switching to or adding rescue medicine. Given the well‐known biases in some methods that estimate effectiveness, such as baseline observation carried forward and non‐responder imputation, the trimmed mean may be a useful alternative when its assumptions are justifiable.
Gain insight into working more effectively with general counsel, other attorneys
Authors: McCarthy Claudine
Published: April 2018

JACKSONVILLE, FLORIDA — Working with your general counsel and other attorneys on such situations as Title IX and other student conduct processes can often seem intimidating and stressful. As a student affairs professional without a legal background, these interactions might leave you feeling confused by all the legalese, worried about the liability and reputational damage facing you and your institution, and questioning your processes and sometimes even your own competence.
President shares 5 building blocks for success
Authors: McCarthy Claudine
Published: April 2018

CLEARWATER BEACH, FLORIDA — Colleges and universities face tenuous times full of daunting challenges, according to E. Gordon Gee, J.D., Ed.D. But in this atmosphere of havoc, student affairs professionals must embrace the opportunity to establish building blocks for a havoc‐resistant future for higher education, he said at Stetson University's National Conference on the Law and Higher Education, when he accepted the William A. Kaplin Award for Excellence in Higher Education Law & Policy Scholarship.
Synthesis of a Biological‐Based Glycoluril with Phosphorous Acid Tags as a New Nanostructured Catalyst: Application for the Synthesis of Novel Natural Henna‐Based Compounds
Authors: Moradi Saeid , Zolfigol Mohammad A. , Zarei Mahmoud , Alonso Diego A. , Khoshnood Abbas
Published: April 2018

A convenient multicomponent reaction towards the synthesis of natural henna‐based 3‐methyl‐1,4‐diphenyl‐1,4‐dihydrobenzo[6, 7]chromeno[2, 3‐c]pyrazole‐5,10‐dione derivatives by using a crabby nano glycoluril tetrakis(methylene phosphorous acid) (GTMPA), as an efficient and recyclable catalyst, under neat conditions is described. The major advantages of the synthetic methodology herein described are high yields, short reaction times, and the reusability of the catalyst, which has been fully characterized by Fourier Transform Infrared Spectroscopy (FT‐IR), Solid Phosphorus Nuclear Magnetic Resonance (31P NMR), Mass spectra (MS), X‐Ray Diffraction (XRD), High Resolution Transmission Electron Microscopy (HRTEM), Scanning Electron Microscope (SEM‐Mapp.), Energy Dispersive X‐Ray (EDX), Thermo Gravimetric Analysis (TGA), Differential Thermal Analysis (DTG), Differential Thermal Analysis (DTA) and X‐Ray Photoelectron Spectroscopy (XPS). The described biological‐based glycoluril with phosphorous acid pending may be applicable for the synthesis of gels, gelators, self‐healing and smart hydrogels.
A Real‐Time Electrochemical Impedance Analysis for Water‐In‐Oil Emulsions of Bitumen Diluted with Naphtha
Authors: Jiang Qiuyan , Li Qiuhong , Li Jiao , Li Aixiang , Cong Rimin , Si Weimeng , Li Zichuang
Published: April 2018

In this paper, water‐in‐oil (W/O) emulsions of bitumen diluted with naphtha were characterized by a novel impedance technique in real time. Nyquist diagrams of electrochemical impedance spectra obtained for different systems present different spectra. For the system of bitumen in naphtha, only one semi‐circle is observed, and the resistance (RO) and capacitor (CO) are connected in parallel. Impedance measurement shows that the conductivity of bitumen results from the conductive components, asphaltenes. For the system containing W/O emulsions, Nyquist diagram is presented in two semicircles with different diameter, indicating different relaxation times corresponding to bitumen in naphtha and W/O emulsions respectively. The ROand COare in parallel combination and then connect in series with the resistance (RW/O) and capacitor (CW/O) of W/O emulsions. The value of RW/Oreduces with the decrease of volume fraction of W/O emulsions, which can be used to characterize the stability of emulsions. At the same time, the impedance spectra analysis plays an important role in the study of demulsification of W/O emulsions by comparing the RW/Oafter adding demulsifier ethylcellulose (EC). With the increase of EC concentration, the RW/Oreduces and eventually disappears due to the decrease of volume fraction of emulsions. Further work needs to be studied to establish the relationship between dielectric constant and volume fraction of emulsions.
Design and Development of Biogel Through Hierarchical Self‐Organisation of Biomolecule for Sustainable Antibacterial Applications
Authors: Raveendran Reshma L. , Devaki Sudha J.
Published: April 2018

This paper describes the design and development of biogel (PPG) through self‐organisation of 3‐ pentadecylphenoxirane grafted polyglucopyranose and demonstration of its antimicrobial applications. 3‐pentadecylphenoxirane (PO) is an epoxy derivative of 3‐pentadecylphenol which is prepared from cashew nut shell liquid, an industrial waste of cashew industry. Polyglucopyranose (PG) is isolated from abundantly available underutlilised jackfruit seed starch. During grafting epoxy converted to hydroxyl group and the grafted molecule is endowed with large number of hydroxyl group, aromatic ring and long hydrocarbon chain which may undergo supramolecular organized structures through various noncovalent interactions such as electrostatic layer by layer assembling (ESLBL), π‐ π and van der Waals to form time dependent columnar and lamellar phases which are confirmed by various microscopic techniques, rheology and XRD. Later demonstrated its antimicrobial screening studies against Gram positive and Gram negative. Results suggests that the developed design strategy can be exploited for generating macroscopically self‐organised biogel systems from small biomolecules for futuristic high performing multifunctional especially antimicrobial applications.
Photoinduced Assembly/Disassembly of Supramolecular Nanoparticle Based on Polycationic Cyclodextrin and Azobenzene‐Containing Surfactant
Authors: Li Zhong‐Yi , Chen Yong , Wu Huang , Liu Yu
Published: April 2018

The assembly of molecular induced aggregation and photo‐response has gradually evolved into one of the valuable topics in supramolecular chemistry and other important fields. In this work, a shrinkable nanoparticles with two opposite charges has been successfully constructed, i. e. polycationic cyclodextrin (H) and anionic azobenzene‐containing surfactant (G). Herein, polycationic cyclodextrins were able to induce the incorporation of azobenzene‐containing anionic surfactants into nanoparticles of about 181 nm in diameter. The resulting large nanoparticles can shrink into small nanoparticles with an average diameter of about 90 nm but recover to the original level by alternating UV and visible light radiation. Due to its photo‐triggered growth/shrinkage behavior, the nanoparticles can efficiently up‐load/release dyes and drug substrates in a controlled manner.
Convenient Photochemical Synthesis of Silver‐Polyaminocyclodextrin Nanocomposites: The Role of the Light Source from a Mechanistic Viewpoint
Authors: Russo Marco , Chillura Martino Delia , Caponetti Eugenio , Lo Meo Paolo
Published: April 2018

An investigation on the light‐driven reduction of the [Ag(NH3)2]+ complex in the presence of polyaminocyclodextrins was carried out, in order to clarify the mechanism of the process. The role of the organic auxiliary as both the sacrificial reductant and the capping agent was positively assessed. Moreover, particular attention was paid to the role of the irradiation source. Experimental results indicate that a complex mechanism is involved in the formation of the nanocomposite, with a primary photoinduced single‐electron‐transfer process promoted by irradiation with green light, followed by a secondary chemical reduction process activated by NIR. Representative composites were characterized by means of FTIR, TEM and SAED techniques. The light‐driven approach proposed here appears an appealing “green”, bio‐friendly method for the synthesis of stable nanosized silver composites, in view of possible applications as antimicrobial agents.
Naphthalimide‐Based Chiral Fluorescence Sensor Employing (S)‐BINOL Unit for Highly Enantioselective Recognition of α‐Amino Alcohols with Opposite Chiral Selectivity
Authors: Muralidharan Vivek Panyam , Sathiyanarayanan Kulathu Iyer
Published: April 2018

A new naphthalimide‐based fluorescent probe [(S)‐1 and (S)‐2] employing (S)‐BINOL unit as a chiral responsive group has been designed and synthesized. Ligand (S)‐1 showed greater fluorescence enhancement towards (R)‐amino alcohol and the value of enantiomeric fluorescence difference (ef) ratio reached as high as 7.07 for phenylalaninol while (S)‐phenylalaninol did not show much enhancement in fluorescence, whereas ligand (S)‐2 showed ef value of 4.49 for phenylalaninol. The fluorescence enhancement can be attributed to imine formation and H‐bonding. Further, the R/S chiral selectivity of ligands (S)‐1 and (S)‐2 is opposite. The chiral discrimination ability of (S)‐1 and (S)‐2 was tested via fluorescence, NMR and CD spectral analysis. The results indicated that the sensor (S)‐1 was very promising for use as a fluorescent sensor in determining the enantiomeric composition of α‐amino alcohols.
Synthesis of Tetra 3,4‐dimethoxyphenethoxy Peripheral Substituted Metallophthalocyanines and Investigation of Some Properties
Authors: Ağırtaş Mehmet Salih , Solğun Derya Güngördü , Özdemir Sadin , İzgi Mehmet Sait
Published: April 2018

The synthesis and characterization of tetra 3,4‐dimethoxyphenethoxy substituted cobalt, zinc and copper phthalocyanines are reported. These compounds have been characterized by using electronic absorption, nuclear magnetic resonance spectroscopy, infrared spectroscopy, and elemental analysis. The aggregation behaviors were investigated in different concentrations phthalocyanine complexes. The photodegradation stabilities of pthalocyanine complexes 4–6 were determined in THF. The antioxidant activities of scavenging effect on 1,1‐Diphenyl‐2‐picryl‐hydrazyl (DPPH) radicals and ferrous chelating reducing power were also investigated. The antimicrobial effects of compounds were evaluated. In addition, DNA cleavage activities of the ligand and its phthalocyanine complexes were experimented on plasmid DNA (pBR322) using DNA gel electrophoresis and the complexes exhibited promising cleavage activity. Thermal properties of compounds were determined by thermogravimetric analysis(TG) and differential thermal analysis (DTA).
Novel Application of a Polyurethane Membrane for Efficient Separation of Hydrogen Sulfide from Binary and Ternary Gas Mixtures
Authors: Sadeghi Morteza , Talakesh Mohammad Mehdi , Arabi Shamsabadi Ahmad , Soroush Masoud
Published: April 2018

Recently we introduced a new polyurethane (PU) membrane synthesized from polypropylene glycol (PPG), hexamethylene diisocyanate (HDI), and 1, 4‐butane diol (BDO), and then studied the performance of the membrane for CO2 removal. This paper presents a novel application of the PPG‐HDI‐BDO membrane for separation of H2S in binary and ternary gas mixtures. The gas transport properties of the membrane in binary H2S/CH4 and ternary CH4/CO2/H2S gas mixtures at different temperatures, pressures, and gas compositions are investigated. Permeation tests show that the membrane has a high H2S/CH4 selectivity (27.2), an outstanding H2S permeability of 790 Barrer, and a remarkable CO2 permeability of 473 Barrer. The H2S permeability of 790 Barrer is the highest reported to this date for all PU membranes. The H2S permeability and H2S/CH4 selectivity of the membrane increases with temperature. As the operating pressure increases, the CO2/CH4 and H2S/CH4 selectivities of the membrane increases. H2S and CO2 permeabilities and H2S/CH4 and CO2/CH4 selectivities increase, as the H2S content of the feed increases. Solubility is most likely the dominant mechanism of gas permeation in this membrane. As the CO2 content of the feed stream increases, the H2S permeability and H2S/CH4 selectivity of the membrane decreases. The membrane has maximum H2S/CH4 selectivities of 27.4 in binary H2S/CH4 (with 0.075 mol% H2S) and 27.2 in ternary CH4/CO2/H2S (with 0.66 mol% H2S).
An Optical Chemodosimeter Coumarin Nosylate for Probing Fluoride Ion: Synthesis, Crystal Structures, Photophysical and Theoretical Studies
Authors: Pandey Abha , Kumar Ajit , Vishwakarma Siddharth , Upadhyay Kaushal Kumar
Published: April 2018

To achieve selectivity for fluoride recently researchers resorted on its nucleophilic characteristics rather than its basicity. The design strategy of this kind of probe involves masking of a fluorescent moiety with NBS/DNBS masking groups. Attack of fluoride over the same leads to release of fluorescent moiety in the solution. The prime concern of this family of probes is that no crystallographic evidence is available till date in the literature to the best of our knowledge. We are reporting herein a new chemodosimeter in the form of a coumarin nosylate (CMS) as a dual channel optical probe for the smart detection of fluoride. Interestingly, we not only isolated single crystals of CMS but also successfully isolated the fluoride (F−) induced cleaved product of CMS i. e. chromenolate counter balanced with tetrabutylammonium (TBA) ion.
Open Flask, Clean and Practical Protocol for Diastereoselective Syntheses of Oxindole Containing Phosphinoyl Compounds under Catalyst‐Free and Solvent‐Free Conditions
Authors: Bai Rekha , Choudhary Rakhee , Singh Pratibha , Thakuria Ranjit , Sharma Mahesh C. , Badsara Satpal Singh
Published: April 2018

An open flask, practical C−P bond formation between oxindole containing allyl alcohols and phosphorous surrogates under catalyst‐free and solvent‐free conditions is described. The C−P bond formation is completely diastereoselective and amenable to a variety of multifunctional allyl alcohols under the reaction conditions employed, providing the desired products in excellent yields.
Four New Stable Lanthanide Organic Frameworks: Highly Selective Luminescent Sensing and Magnetic Properties
Authors: Zhang Si‐Si , Yan Yang‐Tian , Zhang Wen‐Yan , Guo Fu‐Sheng , Wang Yao‐Yu
Published: April 2018

Four new two‐dimensional isostructural lanthanide metal‐organic frameworks {[Ln(L)(LH)(H2O)2]⋅H2O}n (1‐Ln; Ln=Sm, Eu, Tb and Dy) were successfully assembled under hydro(solvo)thermal conditions by Ln3+ salts and 4‐(3‐carboxyl‐1,2,4‐1H‐triazol‐1‐yl) benzoic acid (H2L). Compounds are isostructural and display a 2D 3‐connected fes 2‐periodic net with the point symbol of (4⋅82). Thus, 1‐Eu was chosen as a probe for sensing different metal ions and anions due to the excellent luminescence and good luminescent stability in water. 1‐Eu shows high selectivity for Fe3+, Cr2O72− and CrO42− ions, indicating that 1‐Eu should be an excellent candidate for luminescence sensing material. Furthermore, antiferromagnetic exchange couplings between the neighbouring Dy3+ ions exist in 1‐Dy.
Highly Oxygenated 11‐Keto‐β‐boswellic Acid Analogues and Their Anti‐Inflammatory Potential
Authors: Majeed Muhammed , Nagabhushanam Kalyanam , Bani Sarang , Choudhury Ambar K.
Published: April 2018

Novel 9‐α‐hydroxy‐11‐keto‐β‐boswellic acid analogues constituted with versatile functionality at ring A have been synthesized for the first time from 3‐O‐acetyl‐11‐keto β‐boswellic acid (AKBBA) and described herein. The anti‐malarial potential of endoperoxide benzyl ester was evaluated against the malarial parasite and exhibited reasonable anti‐malarial activity (2 μM). Anti‐inflammatory potential of all new analogues was examined against proinflammatory cytokine, Tumor Necrosis Factor‐alpha (TNF‐α) and one of them was found to possess similar activity as that of AKBBA.
Synthesis of 2,3‐Dihydro Flavone Coumarins as a Class of Potent Antifungal and Anti‐inflammatory Agents
Authors: Shaikh Farzanabi , Shastri Samundeeswari , Chougala Bahubali M. , Holiyachi Megharaja , Shastri Lokesh A. , Joshi Shrinivas D. , Sunagar. Vinay A.
Published: April 2018

An efficient, mild and environmentally benign method has been developed for the synthesis of 2,3‐dihydroflavonecoumarins. The reaction of 2‐hydroxyacetophenones 2 with 4‐formylcoumarin 3 using anhydrous potassium carbonate as a mild base. All the synthesized compounds were evaluated for their antifungal activity against Candida albicans, Aspergillus flavus and Aspergillus niger fungal strains by broth dilution method. The tested compounds have exhibited promising in vitro potency with low MIC values rangs from 0.4 to 3.12 μg/mL. The in vitro anti‐inflammatory potency of synthesized compounds by gelatin zymography is comparable to tetracycline and is found to be excellent against Matrix metalloproteinase (MMP‐2). Molecular docking study was performed for all the synthesized compounds with binding site of Cytochrome P450 14 alpha‐sterol demethylase (CYP51) from Mycobacterium tuberculosis in complex with fluconazole PDB (1EA1) and results obtained are quite promising.
The Effect of N‐Doping in Activated Carbon‐Supported Au‐Sr Catalysts for Acetylene Hydrochlorination to Vinyl Chloride
Authors: Li Guangbi , Li Wei , Zhang Jinli , Zhang Wu , Zhou Huan , Si Chuan‐Ling
Published: April 2018

We used N‐doped activated carbon (NAC) as support to prepare a novel Au−Sr catalyst and evaluated the effect of N‐dopants on the performance of Au−Sr catalyst in acetylene hydrochlorination. A promoting effect was observed when N atoms were incorporated into AC framework, and the prepared SrAu/NAC catalyst demonstrated optimal activity compared with the undoped Au/AC and SrAu/AC catalysts. The SrAu/NAC also showed an excellent stability during the 500 h test, with acetylene conversion and vinyl chloride selectivity both exceeding 99.9%. A detailed characterization was investigated through XPS, TPD, TPR, TGA, PXRD, TEM, AAS, and BET to reveal the physicochemical properties of the related catalysts. It is demonstrated that the NAC can function as an effective support to enhance activity and life of Au‐based catalysts with unique electronic property, and the presence of doped nitrogen species as anchor sites is beneficial to increasing the electron density of active Au(III) center through electron transfer from doped N atoms to the active Au(III) species, and stabilizing active Au(III) ions and retarding its reduction within catalyst preparation and use process. Moreover, the combination of N‐dopants and strontium additive may promote a synergistic effect to make active Au species disperse better and significantly enhance the adsorption of HCl, remarkably suppress the reduction of active cationic Au(III), and effectively inhibit carbon deposition in the catalytic reaction.
Aminoquinoline‐Salicylaldimine Dyads as Highly Selective Turn‐On Fluorescent Sensors for Zinc (II) Ions
Authors: Vongnam Kunnigar , Aree Thammarat , Sukwattanasinitt Mongkol , Rashatasakhon Paitoon
Published: April 2018

Four new derivatives of 8‐aminoquinolines are successfully synthesized by extension of the
‐conjugated system on the quinoline ring and incorporation of either the salicylaldimine or its reduced amino form. These compounds show selective fluorescence enhancement by Zn2+ ion, attributing to the chelation‐enhanced fluorescence (CHEF) effects, in which the deprotonation of the amido –NH and phenolic ‐OH causes the internal charge transfer (ICT) process. The fluorescent signals of these compounds are shifted from the range of 391–562 nm to 535–590 nm upon addition of Zn2+. The sensing mechanism is investigated by 1H NMR titration, mass spectrometry, and single crystal X‐ray diffraction analysis which suggests a 1:1 binding stoichiometry between the sensor and Zn2+. The detection limits of 0.024 to 0.431 μM and the association constants ranging between 7.0 × 103 and 1.2 × 104 M−1 can be estimated for these four sensors. One of these compounds is fabricated on wax‐patterned filter paper and used as a probe for Zn2+ in aqueous solution with a naked‐eye detection limit at 10 μM.
Palladium Supported on Mesoporous Silica/Graphene Nanohybrid as a Highly Eﬃcient and Reusable Heterogeneous Catalyst for C−H Functionalization
Authors: Dabiri Minoo , Alavioon Seyed Iman , Movahed Siyavash Kazemi
Published: April 2018

Mesoporous silica/graphene (KIT‐6/G) with pendent 3‐mercaptopropyl groups has been prepared by condensation of surface silanols and (3‐mercaptopropyl)trimethoxysilane (MPTMS). Treatment of the mercaptopropylated with Pd(CH3CN)2Cl2 gave a heterogeneous Pd‐catalyst (Pd@KIT‐6/G‐SH). The catalytic activity of the catalyst was investigated in two types of C−H functionalized for the synthesis of 2‐cyanoacetanilide and 2‐arylpyridine 1‐oxide derivatives via C−H activation. Additionally, for the study of the effect of thiol ligand, the Pd@KIT‐6/G was prepared from the treatment of Pd(CH3CN)2Cl2 with KIT‐6/G. The catalyst has been successfully recovered and reused without loss of activity over seven cycles of reactions.
Plant‐Protein‐Modified TiO2 (SPI@TiO2) for Photodegradation of Dyes
Authors: Wang Yan , She Houde , Ma Qiong , Lian Juhong , Zhong Junbo , Li Jianzhang , Tong Jinhui , He Yufeng , Wang Rongmin , Wang Qizhao
Published: April 2018

TiO2 photocatalysts modified by soy protein isolate (SPI@TiO2) were successfully prepared via hydrothermal method and characterized by diffuse reflectance UV‐vis spectroscopy, photoluminescence (PL), brunauere emmette teller (BET), scanning electron microscope (SEM), fourier transforming infrared spectrum (FT‐IR), and electrochemical measurements. The photocatalytic activity of the as‐prepared samples was evaluated by testing photocatalytic degradation Rhodamine‐B (RhB). 0.02SPI@TiO2 showed the highest photocatalytic activity. The improved photocatalytic activity of SPI@TiO2 composites could be attributed to the existence of SPI, which can reduce the recombination rate of electron–hole and enhance the adsorption of dyes.
Molecular Insights into Benzimidazole‐Linked Polymer Interactions with Carbon Dioxide and Nitrogen
Authors: Aparicio Santiago , Yavuz Cafer T. , Atilhan Mert
Published: April 2018

Investigation of the binding affinity gases on porous adsorbents are important for establishing understanding of effective carbon dioxide adsorption and design target specific sorbents for capturing hazardous gases for environmental protection and fuel upgrading. A density functional theory (DFT) study that highlights the impact of benzimidazole‐linked polymer structure design has been conducted to explain the molecular and electronic structure, investigate the interaction sites and elucidate the experimental results on carbon dioxide and nitrogen sorption on these porous structures. DFT calculations were used to infer the strength of the polymer – gas interaction modes as well as to quantify short‐range interactions between the polymer – gas via topological characteristics analysis of intermolecular forces. Obtained results shed light on the carbon dioxide and nitrogen affinity as well as the selectivity during the adsorption process, and yet conclusions were attained on the characteristics of the adsorption type and mechanism in this study.
An Efficient Protocol for the Synthesis of Primary Amides via Rh‐Catalyzed Rearrangement of Aldoximes
Authors: Xu Fen , Song Yuan‐Yuan , Li Yan‐Jie , Li Er‐Long , Wang Xin‐Ran , Li Wen‐Yue , Liu Chun‐Sen
Published: April 2018

A system consisting of catalytic amounts of [Rh(CH2=CH2)Cl]2/PPh2Cy, and PhCl as the solvent efficiently catalyzes selective rearrangement of aldoximes to furnish various primary amides in moderate to good yields. Replacing the [Rh(CH2=CH2)Cl]2 with Rh(NBD)2OTf enables the superior transformation to afford the amides with up to 99% yields. Attractive synthetic features associated with this methodology include absence of co‐catalysts, broad functional group tolerance, good to excellent yields, low metal loadings, and operational convenience.
Synthesis and Characterization of Aminoquinonato Bridged Re(I)‐Based Amide Functionalized Dinuclear Metallastirrups and Tetranuclear Lemniscate Metallacycles
Authors: Govindarajan Ramadoss , Divya Dhanaraj , Nagarajaprakash Ramamurthy , Manimaran Bala.
Published: April 2018

Herein, we describe a multicomponent self‐assembly approach that has the prospect of furnishing functionalized di‐ and tetranuclear metallacyclic architectures with a very less level of constitutional control using semi‐rigid ligands. The methodology relies on the coordination preference of the metal and the directionality of the ligands. Self‐assembly of Re2(CO)10, aminoquinone ligands (H2L=2,5‐bis(n‐butylamino)‐1,4‐benzoquinone (bbbq), 2,5‐bis(n‐octylamino)‐1,4‐benzoquinone (bobq) and 2,5‐bis(phenethylamino)‐1,4‐benzoquinone (bpbq)) and ditopic pyridyl ligands (N‐L′‐N=bis(4‐pyridinecarboxamide)‐1,2‐ethane (bpce), N,N′‐(1,2‐phenylene)diisonicotinamide (pdia) and N,N′‐bis(4‐pyridylformamide)‐1,4‐benzene (bpfb)) in equimolar ratio afforded amide functionalized metallacyclophanes of 1–9 (Scheme ). Compounds 1–9 have been characterized by elemental analysis, IR, NMR, UV/Vis absorption and ESI‐mass spectroscopic techniques. Molecular structures of 1, 3 and 7 were ascertained by single‐crystal X‐ray diffraction methods.
Solvent Relaxation Accompanied Ultrafast Excited State Proton Transfer Dynamics Revealed in a Salicylideneaniline Derivative
Authors: Mukherjee Puspal , Das Aritra , Faizi Md. Serajul Haque , Sen Pratik
Published: April 2018

In this study, we have investigated the excited state intramolecular proton transfer (ESIPT) and subsequent dielectric relaxation of a newly synthesized Schiff base molecule in cyclohexane, methanol and SDS micelle through femtosecond fluorescence up‐conversion and broadband transient absorption spectroscopy. We found that the molecule showed ultrafast proton transfer with a timescale about 0.2 ps followed by solvent relaxation of the keto tautomer in methanol and SDS medium. In non‐polar cyclohexane, the solvation part was completely absent as expected. Computational study suggested the existence of a transition state in the proton transfer surface. Quantification of the system was done with two step model assigning the first rate constant to the relaxation of the excited state enol form and the second to the barrier crossing from the enol to the keto form.
Insights into the Mechanism of Bile Salt Aggregates Forming in a PEGylated Amphiphilic Polymer/Bile Salt Mixed Micelle
Authors: Tan Qinggang , Bie Min , Wang Zihao , Chu Yanyan , Tao Susu , Xu Xiaoyan , Liu Yingbin
Published: April 2018

Tailoring the structure of core‐shell interface of amphiphilic copolymer micelles provides a potential to mediate the drug release from micelles. Here, bile salts were used to alter the molecular geometry of core‐shell structured amphiphilic copolymer micelles. With the different sodium deoxycholate (NaDC) addtions in the methoxy polyethylene glycol‐poly(D,L‐lactic acid) (MPEG‐PDLLA) solutions, the NaDC molecule could form different deoxycholic acid (DCA) dimers in the core and shell of micelles. A face‐to‐face DCA dimer structure could form and insert into the core of micelles when a small NaDC addition. This dimer could accelerate the drug release. At a high NaDC addition, a new back‐to‐back DCA dimer could form in the PEG shell region that would reduce the rate of drug release. The results obtained provide fundamental insights into the role of bile salts in adjusting the drug release of amphiphilic copolymer micelles and demonstrate the future potential for controlled drug‐delivery applications.
Synthesis of SnS and ZnS Hollow Microarchitectures Decorated with Nanostructures and Their Photocatalytic Behavior for Dye Degradation
Authors: Pomar Cesar D. , Souza Aryane T. , Sombrio Guilherme , Souza Flavio L. , Bonvent Jean J. , Souza Jose A.
Published: April 2018

SnS and ZnS hollow microarchitectures decorated with nanostructures were synthesized by catalysis free thermal evaporation technique using metal microwires and sulfur powder as starting materials. For SnS, we observed a microtube formation comprised of a thin metallic Sn layer in the inner surface, SnS orthorhombic structure thick layer with SnS nanostructures on the top. For ZnS, we found out the formation of hollow sphere with a thin metallic layer in the inner part, a thick cubic phase layer of ZnS, and on this second phase, nanostructures of ZnS hexagonal crystal phase grew up homogeneously. The surface tension, intrinsic to liquids, induces the formation of a microsphere in ZnS sample in order to minimize the surface area. ZnS and SnS hollow semiconducting microstructures have exhibited efficient activity to degrade the methylene blue under simulated sunlight irradiation. The results reveal that ZnS microstructures have higher photoactivity to organic degradation when compare to SnS in the same time interval. The observed results demonstrate the potential of thermal evaporation process without any catalyst material as a simple, fast and efficient route to obtain hollow hierarchically micro/nano architectures of SnS and ZnS with enhanced photocatalytic activity.
Cu‐Catalyzed Aerobic Oxidation of Alcohols with a Multi‐Functional NMI‐TEMPO
Authors: Wang Lianyue , Bie Zhixing , Shang Sensen , Li Guosong , Niu Jingyang , Gao Shuang
Published: April 2018

A novel and easily accessible N‐methylimidazole derived TEMPO as multi‐functional molecule combining with commercially available copper(I) iodide and 4,4′‐Di‐tert‐butyl‐2,2′‐dipyridyl afford a catalyst system that shows efficient activity for the oxidation of a broad scope of alcohols under air balloon at room temperature. The corresponding aldehydes and ketones were obtained in good to excellent yields. The procedure is readily amenable to scale up. The present catalytic system shows a high chemoselective oxidation of primary alcohols over secondary alcohols. Cu(II) active species generated in situ from Cu(I) is responsible for the oxidation of alcohols.
An Aqueous Ca‐ion Full Cell Comprising BaHCF Cathode and MCMB Anode
Authors: Adil Md. , Dutta Prasit Kumar , Mitra Sagar
Published: April 2018

The capability of high‐rate cycling and environmental benignity at less expensive defines the ingress of upcoming energy storage system. The urge of such system comes into the picture because today, the state‐of‐the‐art lithium technology is ineffectual to improve its rapid‐charging ability beyond a certain limit, in commercial scale. Here, we introduce reversible electrochemistry of Ca‐ion full cell in conjunction with inexpensive aqueous electrolyte, 1M aq. Ca(ClO4)2. In the full cell, carbon cloth, barium hexacyanoferrate (BaHCF) and meso‐carbon microbeads (MCMB) have been explored as the current collector, cathode and anode material, respectively. The full cell provides 40 mAh g‐1 capacity at 5C rate till 100 cycles. We believe, the investigation of this simple full cell at the early stage of Ca‐ion battery will pave a fast transition in the forthcoming energy storage systems.
A Facile Synthetic Route to Biologically Relevant Substituted 1,4‐Naphthoquinonyl‐2‐oxoindolinylpyrimidines Under Metal‐Free Organocatalytic Conditions
Authors: Brahmachari Goutam , Nayek Nayana
Published: April 2018

A simple, straightforward, and highly efficient three‐component one‐pot synthesis of a series of substituted 5‐(3‐(3‐hydroxy‐1,4‐naphthoquinon‐2‐yl)‐2‐oxoindolin‐3‐yl)pyrimidine‐2,4,6(1H,3H,5H)‐triones as biologically relevant molecular hybrids has been accomplished based on a tandem reaction of substituted istains, 2‐hydroxy‐1,4‐napthoquinone and barbituric acid in the presence of sulfamic acid as a low‐cost and eco‐friendly organocatalyst in aqueous ethanol under reflux. High atom‐economy, good yields, metal‐free synthesis, eco‐friendliness, and operational simplicity are some of the important features of this protocol.
Sulfamic Acid‐Catalyzed One‐Pot Synthesis of a New Series of Biologically Relevant Indole‐Uracil Molecular Hybrids in Water at Room Temperature
Authors: Brahmachari Goutam , Begam Sanchari , Nurjamal Khondekar
Published: April 2018

A simple, straightforward, and highly efficient three‐component one‐pot synthesis of a new series of biologically‐interesting diverse and functionalized 5‐((1H‐indol‐3‐yl)(aryl)methyl)‐6‐aminopyrimidine‐2,4(1H,3H)‐dione derivatives has been elaborated based on molecular hybridization approach. The target molecules have been rationalizedviatandem reaction of 6‐aminouracils, substituted aromatic aldehydes and indoles in the presence of sulfamic acid as a low‐cost and eco‐friendly organocatalyst in water at room temperature. High atom‐economy, energy‐efficiency, use of water as reaction medium, good to excellent yields, metal‐free synthesis, eco‐friendliness, and operational simplicity are some of the important features of this newly developed protocol.
A Simple Approach for Prediction of the Condensed Phase Heat of Formation of Imidazolium‐Based Ionic Liquids or Salts
Authors: Keshavarz Mohammad Hossein , Nazari Behzad , Jafari Mohammad , Bakhtiari Reza
Published: April 2018

Solid or liquid (condensed state) phase enthalpy of formation of a desired new substance at room temperature is a measure of its energy content. It is an important factor for its designing, characteristics and thermochemical stability. A novel method is introduced for reliable prediction of the condensed phase heat of formation of imidazolium based ionic liquids or salts at 298.15 K. It is based on the number of hydrogen and fluorine atoms in cation and anion, respectively, as well as two correcting functions. The reported condensed phase heat of formation of 31 different imidazolium based ionic liquids or salts are used to derive new model. For 9 imidazolium based ionic liquids or salts where the outputs of complex quantum mechanical methods were available, reliability of the new model has been compared with their results. Root Mean Squared Error (RMSE) of the new model and quantum mechanical models are 25.02 and 31.80 kJ/mol, respectively, which confirm higher reliability of the new simple method.
Synthesis of 4′‐Substituted Purine 2′‐Deoxynucleosides and Their Activity against Human Immunodeficiency Virus Type 1 and Hepatitis B Virus
Authors: Kohgo Satoru , Imoto Shuhei , Tokuda Ryoh , Takamatsu Yuki , Higashi‐Kuwata Nobuyo , Aoki Manabu , Amano Masayuki , Kansui Hisao , Onitsuka Kengo , Maeda Kenji , Mitsuya Hiroaki
Published: April 2018

2,6‐Diaminopurine and guanine 2′‐deoxynucleosides substituted with a fluoromethyl, methyl, vinyl, ethyl, or azido group at the C‐4’ position of the sugar moiety 1–10 were synthesized and their activity against HIV and HBV were determined. 4′‐Fluoromethyl and 4′‐methyl derivatives 1 and 2, respectively, were synthesized by glycosidation of the 4′‐substituted sugars 11 and 12, respectively, using 2,6‐diaminopurine, followed by deoxygenation of the 2′‐hydroxyl group. 4′‐Vinyl analog 3 was synthesized from 4′‐hydroxymethylnucleoside 19, and 4′‐ethyl derivative 4 was obtained by hydrogenation of 3. 4′‐Azide analog 5 was synthesized by SNAr reaction of guanine derivative 23 with ammonia. Nucleosides 1–5 were converted to the corresponding guanine derivatives 6–10 using adenosine deaminase. Some of these compounds exhibited substantial to potent anti‐HIV and HBV activity with generally favorable cytotoxicity profiles.
Nitrogen‐Rich Salts based on 1,1’‐Dihydroxy‐5,5’‐Azobistetrazole: aNew Family of Energetic Materials with Promising Properties
Authors: Zhang Zhi‐Bin , Zhang Jian‐Guo , Gozin Michael
Published: April 2018

A series of nitrogen‐rich energetic heterocyclic 1,1’‐dihydroxy‐5,5’‐azobistetrazole (AZO) salts are synthesized with ethylenediammonium (1), hydrazinium (2), semicarbazidium (3), guanidinium (4), 1‐amino‐1,2,3‐triazolium (5), 4‐amino‐1,2,4‐triazolium (6) and 5‐amino‐tetrazolium (7). The salts have characterized through elemental analysis, Fourier Transform infrared spectroscopy (FT‐IR) spectroscopy, 1H NMR, 13C NMR and mass spectrometry. The crystal structures determined by single crystal X‐ray diffraction. The thermal decomposition behaviors investigated by using the DSC and TG‐DTG technologies. The enthalpies of formation are calculated through the combustion heat data measured through the oxygen bomb calorimetry. All the salts have acceptable thermal stability with the highest decomposition temperature of 301.8 °C, excellent high positive formation enthalpies ranging from 350.5 kJ mol−1 to 1500.3 kJ mol−1, and good insensitivity to outer stimuli compared to the traditional RDX. The promising detonation parameters of the salts yield detonation velocities (D) and pressures (P) are ranging from 7327 m s−1 to 8931 m s−1, and from 21.7 GPa to 32.7 GPa. Considering the advantage, it is possible to prepare these nitrogen‐rich energetic salts as promising energetic materials. It's hoped that the present author's research contributed to the expansion and application of the chemistry of 1,1’‐dihydroxy‐5,5’‐azobistetrazole.