bluuebunny/crossref_metadata_2025_split huggingface dataset:
Extensive Study of Rhodanine‐Arylamine‐Based Chromophores: Consolidated Optical, DFT/TD‐DFT and Non‐Linear Optical Properties
Authors: Avhad Kiran C. , Patil Dinesh S. , Chitrambalam Subramaniyan , Sreenath Mavila C. , Joe Issac H. , Sekar Nagaiyan 
Published: January 2019

AbstractThree push‐pull rhodanine‐arylamine based D‐π‐A dyes (2a‐2c) are prepared to study the effect of donor on electronic, linear and nonlinear optical properties. The dyes, 2a,2b and 2c have a vinyl spacer conjugated with triphenylamine, julolidine, and carbazole donors respectively, with a methoxy group and rhodanine‐3‐acetic acid. The dyes exhibited solvent dependent absorption‐emission up to the red region with large Stokes shifts (2a = 77‐130 nm). This dyes possess charge transfer characteristics as established by transition dipole moment (μeg), dipole moment ratio (μe/μg), Generalised Mulliken‐Hush analysis, and electron distribution (DFT). The non‐linear optical study revealed that quadratic hyperpolarizability (μβCT) are 1098.9 (2a), 515.0 (2b) and 339.6 x 10‐48 e.s.u. (2c) depending on donor strength. The intrinsic hyperpolarizabilities fall below
limit i.e. less than unity. Solvatochromic two‐level model is used to study the trends in two photon cross‐section (σ2PA). Solvatochromic two‐level model is used to study the trends in two photon absorption cross‐section (σ2PA). The dye 2a exhibited high σ2PA, 216 GM (λmax 485 nm and 564 nm). The dyes 2a and 2c with analogue dye 3a show reverse saturable absorption (RSA) therefore, show positive third order nonlinear absorption coefficient, β and reasonable values of third order nonlinear susceptibility and high laser damage threshold. The Re χ(3) factors are responsible for the high values of χ(3) in the range of 0.77 to 8.09 x 10‐12 e.s.u. Therefore, this material would serve as good candidate in the photonic application.
Photophysical Properties of Phthalimide and Pyromellitic Diimide Tethered Imidazolium Nitrophenolate Salts
Authors: Singh Munendra Pal , Baruah Jubaraj B. 
Published: January 2019

AbstractStructural aspects of the salt of 2‐(3‐(1H‐imidazol‐1‐yl)propyl)isoindoline‐1,3‐dione (L1) with 2,4,6‐trinitrophenol as well as the salts of N,N′‐bis(3‐imidazol‐1‐yl‐propyl)‐pyromelliticdiimide (L2) with 2,4‐dinitrophenol (H24dnp) and 2,4,6‐trinitrophenol (H246tnp) are reported along with the solid and solution studies on the photophysical properties of these salts. The fluorescence emission of the L1 and L2 are quenched by H24dnp and H246tnp both in solid and in solution. In solution the L1 has comparable binding constant with H24dnp and H246tnp but the relative ability to quench the fluorescence emission of L1 by H24dnp is less than the quenching abilities of the H246tnp. These two nitrophenols independently do not distinguish the L1 from L2 but the extent of quenching caused independently by the H24dnp or H246tnp on L1 or L2 make them easily distinguishable. Addition of water quenches the fluorescence emission of L1 and L2; but the addition of water to solution of the nitrophenolate salts result in the recovery of fluorescence emissions from the quenched states. The salts in solid state have short emission life‐times. The PET effect prominently caused by mineral acids on L1 or L2 is not observed in the nitrophenolate salts. In solid state the O‐π interactions contributed to stacking of the aromatic in the 2,4,6‐trinitrophenolate salt of L2, hence it is non‐fluorescent.
Cluster‐like Co4N embedded into carbon sphere as an efficient, magnetic‐separated catalyst for catalytic hydrogenation
Authors: Yin Tingwen , Ma Ruyun , Gu Ying , Wu Aiping , Zhou Xiaoguang , Tian Chungui 
Published: January 2019

AbstractThe transition metal nitrides are promising catalyst in catalytic fields. The decrease of particle size is favourable to improve the catalytic ability, but its synthesis remains a challenge due to high calcination temperature in the synthesis. Here, we have reported the designed synthesis of cluster‐like Co4N paticles (NPs) uniformly embedded in N‐doped carbon microsphere (Co4N@NC) by controllable nitridation of a spherical Co‐HQ−S composed of Co2+ and 8‐hydroxy quinoline (8‐HQ), and its used as efficient hydrogenation catalyst. The Co4N have less size about 3 nm benefited the confined effect of carbon matrix. The small size is favorable to develop the catalytic ability of Co4N and a protection by carbon can enhance its stability. The test indicated that Co4N/NC can act effective catalysts for the hydrogenation by taking the conversion of 4‐nitrophenol (4‐NP) to 4‐aminophenol (4‐AP) as model. The rate constant of 4‐NP conversion is 1.14 min−1 at 25 °C (5 mg of catalyst), much higher than many non‐noble metal catalyst and even comparable to noble metal catalysts. The Co4N/NC can be easily separated by a external magnet with good reuse performance. Importantly, the catalytic ability can be further enhanced by slight increase of the dose of catalyst, and/or reaction temperature. The combination of magnetic property and good catalytic ability makes the Co4N/NC large promising in catalytic fields.
Design and Synthesis of Novel Pyrimidine/Hexahydroquinazoline‐Fused Pyrazolo[3,4‐b]Pyridine Derivatives, Their Biological Evaluation and Docking Studies#
Authors: Pradeep Mahajan Anuja , Kumar Nagiri Ravi , Swaroop Desireddy Krishna , Reddy Narra Srikanth , Sirisha Kanugala , Kumar Chityal Ganesh , Babu Nanubolu Jagadeesh , Ganapathi Thipparapu , Narsaiah Banda 
Published: January 2019

AbstractMulticomponent reaction protocol has been developed for the synthesis of novel pyrimidine fused pyrazolo[3,4‐b]pyridine derivatives (7 a‐g) and hexahydroquinazoline fused pyrazolo[3,4‐b] pyridine derivatives (8 a‐i) starting from 3‐amino‐5‐carbethoxy‐6‐trifluoromethyl pyrazolo[3,4‐b] pyridine 5. All the synthesized compounds were evaluated for antibacterial as well as antifungal activities and compounds 7 f, 8 a, 8 c and 8 d exhibited promising antibacterial activity. In particular, compound 2,4,6‐trifluoro substituted pyrimidine fused pyrazolo[3,4‐b]pyridine (7 f) showed very good antibacterial activity against the panel of both Gram‐positive and ‐negative bacterial strains. Hexahydroquinazoline fused pyrazolo[3,4‐b]pyridine derivatives (8 f‐i) also showed promising antifungal activity and broad‐spectrum anti‐biofilm activity against both Gram‐positive and negative bacterial strains. The crystal structure of compound 8 b was solved based on single crystal X‐ray diffraction study. Docking studies were performed to identify the interactions of the compounds 7 f with crtM enzyme of Staphylococcus aureus.
Ultrasonic Methylation of Triethylammonium Thiolate as a Key Strategy for Synthesis of Tetrahydropyrazine‐Containing 2‐Oxindole Scaffold
Authors: Alizadeh Abdolali , Rezaiyehraad Reza , Halvagar Mohammadreza 
Published: January 2019

AbstractThis study reports an efficient synthesis of 3‐(5,6‐dihydropyrazinyliden)‐1H‐indol‐2‐ones via one‐pot, two step procedure between triethylammonium thiolates, methyl iodide and ethylenediamine in DMF (dimethylformamide) under ultrasound irradiation. Short reaction time and a simple procedure are among the benefits of this reaction.
A Straightforward Metal‐Free and Mild Base Promoted Amidation and Transesterification via Acyl C‐O bond Cleavage‐An Expedite Synthesis of Aromatic Amides and Esters
Authors: Karthik Shanmugam , Sreedharan Ramdas , Gandhi Thirumanavelan 
Published: January 2019

AbstractA straight‐forward and practical metal‐free amidation and transesterification of esters have been exemplified in this protocol. This strategic reaction features mild bases and devoid of additives at a reasonable temperature (55 °C). The wide range of amines including aromatic amines, was successfully subjected to amidation that supplements the scope exploration. Likewise, various transesterification products from alcohols were realized under this optimized condition.
The Direct Conversion of Cellulose into 5‐Hydroxymethylfurfural with CrCl3 Composite Catalyst in Ionic Liquid under Mild Conditions
Authors: Leng Erwei , Mao Ming , Peng Yang , Li Xiaomin , Gong Xun , Zhang Yang 
Published: January 2019

AbstractDirect transformation of cellulose (PH101: DP∼200) into 5‐hydroxymethylfurfural (HMF) was investigated using the single CrCl3 or the combination of metal chlorides (CrCl3 with AlCl3, FeCl3, SnCl4, MnCl4, and CuCl2) in ionic liquid [Bmim]Cl under oil‐bath heating. As a result, a novel co‐catalysis CrCl3‐AlCl3 was determined to be the most efficient catalyst for the production of HMF. Compared with single CrCl3, the reaction time with CrCl3‐AlCl3 was reduced by nearly 1/3 when a similar HMF yield (58.3%) was obtained at 120 °C. Additionally, the catalytic mechanism of CrCl3‐AlCl3 was discussed. Furthermore, when celluloses with higher polymerization degree (filter paper: DP∼1500 and cotton: DP∼1950) were used, exceedingly higher yields of HMF (54.7% for filter paper and 59.5% for cotton) were obtained compared with previous work. This important result strongly indicates the general applicability of CrCl3‐AlCl3 for various kinds of natural cellulose with a huge range of DP.
Catalytic Hydrogenation of Nitrophenols by Cubic and Hexagonal Phase Unsupported Ni Nanocrystals
Authors: Zhang Caihua , Yang Jing , Liu Ying , Li Yafei , Dai Zhihui , Han Min , Bao Jianchun 
Published: January 2019

AbstractThe catalytic hydrogenation of nitrophenols to aminophenols by diverse catalysts has attracted much attention owing to its potential applications in wastewater purification, fine chemicals and pharmaceutical fields. Though great progress has been achieved, the catalytic hydrogenation of nitrophenols by different crystal phase structured Ni nanocrystals (NCs) has not been investigated until now. Here, the face centered cubic (fcc) Ni and hexagonal close packed (hcp) Ni NCs are controllably synthesized, and employed as the catalysts for hydrogenation of nitrophenols at ambient pressure by using NaBH4 as the hydrogen carrier. The experimental results reveal that both fcc and hcp Ni NCs can catalyze hydrogenation of nitrophenols to related aminophenols. But the hcp Ni NCs exhibit much higher catalytic activity than fcc Ni NCs no matter which nitrophenols is used. Moreover, both hcp and fcc Ni NCs can be recycled at least ten times without obvious loss of activity, showing an exceptional durability that comparable or even superior to supported Ni catalysts. Deduced from the kinetics and XPS analyses, the higher catalytic activity of hcp Ni NCs is attributed to the more richness of active sites on their surfaces in relative to that of fcc Ni NCs. This work may shed some light on design and development of advanced hydrogenation catalysts based on crystal phase engineering.
A Novel Route to Substituted 2‐(N‐Arylamino)benzothiazoles via Iron‐Promoted C‐S Bond Formation
Authors: Pinapati Srinivasa rao , Mandapati Usha rani , Tamminana Ramana , Rudraraju Ramesh raju 
Published: January 2019

AbstractThe synthesis of 2‐aminobenzothiazoles has been demonstrated in the presence of transition metal under mild reaction conditions. In this paper, disubstituted thioureas have also been reported from isothiocyanates at room temperature. Subsequently, C−S cross‐coupling reaction was described for the construction of benzothiazoles using cheap, readily available and air stable Iron catalyst. Moreover, no other byproducts could be observed except target products. Furthermore, control experiments were performed for reveal the mechanism. In addition, a broad range of substrate scope has been explored.
Enhancement in Guest Molecule Incorporation into Lipid Membranes in the Presence of Zinc‐Porphyrin Anchor Molecules
Authors: Goto Yuya , Sugikawa Kouta , Ikeda Atsushi 
Published: January 2019

AbstractBipyridines with an octanol–water partition coefficient <1.9 were previously found to leak out of lipid membranes because of their hydrophilicity. However, we herein report that the addition of zinc‐porphyrin anchor molecules to the lipid resulted in reduced leakage percentages for both 3,3′‐bipyridine and 4,4′‐bipyridine due to the formation of coordination bonds between the pyridyl nitrogen atoms in the bipyridine molecules and the zinc(II) center in the zinc‐porphyrin moiety. In contrast, due to the general lack of interactions between 2,2′‐bipyridine and the zinc‐porphyrin, the leakage percentage of 2,2′‐bipyridine did not change upon the addition of zinc‐porphyrin to the lipid membranes.
Copper‐Catalyzed One‐Pot Synthesis of Pyrrolo[1,2‐a]quinoxaline Derivatives from 1‐(2‐Aminophenyl)‐pyrroles and Aldehydes
Authors: Krishna Thalishetti , Reddy Thatikonda Narendar , Laxminarayana Eppakayala , Kalita Dipak 
Published: January 2019

AbstractA facile and highly efficient copper‐catalyzed strategy has been developed for the synthesis of pyrrolo[1,2‐a]quinoxalines from 1‐(2‐aminophenyl)‐pyrroles and aldehydes at room temperature. This reaction proceeds via imine formation, cyclisation, and oxidation in one‐pot. This strategy provides a facile and rapid access to pyrrolo[1,2‐a]quinoxalines in good to high yields under mild conditions. This process has several advantages, such as simple reaction procedure, readily available starting materials, low catalyst loading, easy product isolation, broad substrate scope, high functional group tolerance, and gram‐scale synthesis.
Global Proteomic and Methylome Analysis in Human Induced Pluripotent Stem Cells Reveals Overexpression of a Human TLR3 Affecting Proper Innate Immune Response Signaling
Authors: Requena Jordi , Alvarez-Palomo Ana Belen , Codina-Pascual Montserrat , Delgado-Morales Raul , Moran Sebastian , Esteller Manel , Sal Martí , Juan Manel , Boronat Barado Anna , Consiglio Antonella , Bogle Orleigh Addeleccia , Wolvetang Ernst , Ovchinnikov Dmitry , Alvarez Inaki , Jaraquemada Dolores , Mezquita-Pla Jovita , Oliva Rafael , Edel Michael J. 
Published: January 2019

Abstract
When considering the clinical applications of autologous cell replacement therapy of human induced pluripotent stem cells (iPSC)-derived cells, there is a clear need to better understand what the immune response will be before we embark on extensive clinical trials to treat or model human disease. We performed a detailed assessment comparing human fibroblast cell lines (termed F1) reprogrammed into human iPSC and subsequently differentiated back to fibroblast cells (termed F2) or other human iPSC-derived cells including neural stem cells (NSC) made from either retroviral, episomal, or synthetic mRNA cell reprogramming methods. Global proteomic analysis reveals the main differences in signal transduction and immune cell protein expression between F1 and F2 cells, implicating wild type (WT) toll like receptor protein 3 (TLR3). Furthermore, global methylome analysis identified an isoform of the human TLR3 gene that is not epigenetically reset correctly upon differentiation to F2 cells resulting in a hypomethylated transcription start site in the TLR3 isoform promoter and overexpression in most human iPSC-derived cells not seen in normal human tissue. The human TLR3 isoform in human iPSC-NSC functions to suppress NF-KB p65 signaling pathway in response to virus (Poly IC), suggesting suppressed immunity of iPSC-derived cells to viral infection. The sustained WT TLR3 and TLR3 isoform overexpression is central to understanding the altered immunogenicity of human iPSC-derived cells calling for screening of human iPSC-derived cells for TLR3 expression levels before applications. Stem Cells 2019;37:476–488
Ninjin'yoeito for symptoms of frailty: Successful treatment of three cases
Authors: Kimura Yoko , Ito Takashi 
Published: January 2019

ABSTRACTCasesPatient 1 was an 81‐year‐old patient with general fatigue. Patient 2 was a 56‐year‐old patient who felt cold, with general fatigue and dry cough, after operation for lung cancer; and patient 3 was a 55‐year‐old woman with interstitial pneumonia after breast cancer treatment, who reported feeling cold, with general fatigue and a tendency to catch colds.OutcomePatient 1’s cognition and dry skin were improved by changing hachimigan and hochuekkito to ninjin'yoeito; patients 2 and 3 were effectively treated with ninjin'yoeito. The symptoms of these patients were consistent with frailty. In the five viscera theory, symptoms of lumbago, physical weakness, and cognitive decline are caused by impaired kidney function, while digestive problems involve spleen function. Respiratory symptoms and dry skin are signs of disorder in lung function. Improvement of qi deficiency, which causes a feeling of general fatigue, can address all these symptoms.ConclusionNinjin'yoeito was useful to treat various symptoms of frailty due to age or severe disease.
Promises and risks of nonstate action in climate and sustainability governance
Authors: Chan Sander , Boran Idil , van Asselt Harro , Iacobuta Gabriela , Niles Navam , Rietig Katharine , Scobie Michelle , Bansard Jennifer S. , Delgado Pugley Deborah , Delina Laurence L. , Eichhorn Friederike , Ellinger Paula , Enechi Okechukwu , Hale Thomas , Hermwille Lukas , Hickmann Thomas , Honegger Matthias , Hurtado Epstein Andrea , La Hoz Theuer Stephanie , Mizo Robert , Sun Yixian , Toussaint Patrick , Wambugu Geoffrey 
Published: January 2019

Sustainable Development Goals and the Paris Agreement stand as milestone diplomatic achievements. However, immense discrepancies between political commitments and governmental action remain. Combined national climate commitments fall far short of the Paris Agreement's 1.5/2°C targets. Similar political ambition gaps persist across various areas of sustainable development. Many therefore argue that actions by nonstate actors, such as businesses and investors, cities and regions, and nongovernmental organizations (NGOs), are crucial. These voices have resonated across the United Nations (UN) system, leading to growing recognition, promotion, and mobilization of such actions in ever greater numbers. This article investigates optimistic arguments about nonstate engagement, namely: (a) “the more the better”; (b) “everybody wins”; (c) “everyone does their part”; and (d) “more brings more.” However, these optimistic arguments may not be matched in practice due to governance risks. The current emphasis on quantifiable impacts may lead to the under‐appreciation of variegated social, economic, and environmental impacts. Claims that everybody stands to benefit may easily be contradicted by outcomes that are not in line with priorities and needs in developing countries. Despite the seeming depoliticization of the role of nonstate actors in implementation, actions may still lead to politically contentious outcomes. Finally, nonstate climate and sustainability actions may not be self‐reinforcing but may heavily depend on supporting mechanisms. The article concludes with governance risk‐reduction strategies that can be combined to maximize nonstate potential in sustainable and climate‐resilient transformations.This article is categorized under:
Policy and Governance > Multilevel and Transnational Climate Change Governance
CISDA: Changes in Integration for Social Decisions in Aging
Authors: Frazier Ian , Lighthall Nichole R. , Horta Marilyn , Perez Eliany , Ebner Natalie C. 
Published: January 2019

The aging of our population has been accompanied by increasing concerns about older adults' vulnerability to violations of trust and a growing interest in normative age‐related changes to decision making involving social partners. This intersection has spurred research on age‐related neurocognitive and affective changes underlying social decision making. Based on our review and synthesis of this literature, we propose a specification that targets social decision making in aging to the recently proposed Affect‐Integration‐Motivation (AIM) framework. Our framework specification, Changes in Integration for Social Decisions in Aging (CISDA), emphasizes three key components of value integration with particular relevance for social decisions in aging: theory of mind, emotion regulation, and memory for past experience. CISDA builds on converging research from economic decision making, cognitive neuroscience, and lifespan development to outline how age‐related changes to neurocognition and behavior impact social decision making. We conclude with recommendations for future research based on CISDA's predictions, including implications for the development of interventions to enhance social decision outcomes in older adults.This article is categorized under:

Economics > Individual Decision Making
Psychology > Reasoning and Decision Making
Psychology > Development and Aging
Neuroscience > Cognition
Modelling diffusion induced swelling behaviour of natural rubber in an organic liquid
Authors: Neff Frank , Lion Alexander , Johlitz Michael 
Published: January 2019

AbstractLiquid uptake of polymers, especially of elastomers, is associated with swelling. The swelling process is induced by diffusion and causes stresses, which interact with the diffusion again. Thus, swelling is a coupled phenomenon of mechanical behaviour and mass transport. This coupling is the focus of this paper, in which the mechanical behaviour is modelled hyperelastic for large deformations and an access for the mass transport is used with a generalised form of the chemical potential. The material behaviour of a swelling elastomer is investigated by experiments referring to the equilibrium state, when the liquid concentration in the elastomer reached a saturation level. Furthermore, swelling depends on the externally applied stress. Therefore, a continuum mechanical model is proposed with an approach of the Helmholtz free energy density. This model is implemented in a finite element software. Finally, simulation results are discussed for different boundary conditions.
Infrastructure Expansion for Children’s Surgery: Models That are Working
Authors: Ameh Emmanuel A. , Butler Marilyn W. 
Published: January 2019

AbstractChildren’s surgical care is cost‐effective and can avert mortality and long‐term disability in children, with ramifications throughout life not only for the patient, but for the extended family and community as well. Considering the current gaps and limited capacity for children’s surgery in low‐ and middle‐income countries (LMICs), it is clear that without expanding and scaling up the infrastructure, World Health Assembly (WHA) resolution 68/15 targets and child‐related targets of Sustainable Development Goals and Universal Health Care are unlikely to be met by 2030. The most promising models to expand infrastructure are those that include ongoing partnerships and capacity building by educating and training local surgeons and healthcare professionals who will not only provide care for children, but who will train future generations of surgical providers as well. Efforts to improve infrastructure necessarily include raising the standard of children’s surgical care at all levels of the healthcare system, which will hopefully be guided by National Surgical, Obstetrics, and Anesthesia Plans and by the Optimal Resources for Children’s Surgery document. The private sector can be effectively engaged to fill infrastructure and service gaps that cannot be met by government budgets. Ultimately, success of any infrastructure expansion initiative depends on strong advocacy to allocate ample funding for children’s surgical care.