bluuebunny/crossref_metadata_2025_split huggingface dataset:
Computational and spectroscopic studies of biologically active coumarin‐based fluorophores
Authors: S. Chandrasekhar , H.R. Deepa , Melavanki Raveendra , Basanagouda Mahanthesh M. , Mogurampelly Santosh , J Thipperudrappa 
Published: December 2020

AbstractWe used density functional theory (DFT) calculations to examine the various molecular properties of two coumarin derivatives, namely 4‐(5‐amino‐[1,3,4]thiadiazol‐2‐ylsulfanylmethyl)‐7‐methyl‐chromen‐2‐one and 4‐(5‐amino‐[1,3,4]thiadiazol‐2‐ylsulfanylmethyl)‐7‐methoxy‐chromen‐2‐one at different levels of theory and basis sets. The calculated highest occupied molecular orbital and lowest unoccupied molecular orbital energies revealed that the investigated molecules were chemically active with a tendency for molecular interactions. The theoretical vibrational frequencies of these molecules were found to be consistent with the experimentally obtained frequencies. Moreover, solvatochromic measurements indicated no significant change in absorption spectral peak by varying the polarity of solvent. Under the same conditions we found that there was a red shift of 39 nm in the fluorescence spectral peak with increase in solvent polarity. The solvatochromic data were used to estimate excited dipole moments and the change in dipole moment was interpreted based on resonance structure of molecules.
What drives environmental innovation? A meta‐analysis
Authors: Liao Zhongju , Liu Yan 
Published: December 2020

AbstractTo clarify the drivers of environmental innovation, this study selected 50 independent samples from 49 publications to investigate the effects of four major factors—policy, market, resource capacity, and organizational characteristics—on environmental innovation using a meta‐analysis, as well as demonstrating the moderating role of cultural background and industrial diversity. The results show that both environmental regulations and government subsidies positively promote environmental innovation and that cultural background and industrial diversity do play moderating roles in how environmental regulations impact environmental innovation. Furthermore, customer demand is also shown to have a positive impact on environmental innovation and is moderated by industrial diversity. However, market concentration is not shown to significantly affect environmental innovation. The results also show that knowledge sources, technological capabilities, organization's performance, and environmental management systems positively influence environmental innovation. Additionally, cultural background plays a moderating role between an organization's performance and environmental innovation, and industrial diversity can moderate technological capability and environmental innovation. Finally, the size of an organization is shown to positively affect environmental innovation and is also moderated by cultural background.
Exosomal mRNAs and lncRNAs involved in multiple myeloma resistance to bortezomib
Authors: Tang Ju‐xian , Chen Qi , Li Qin , He Yu‐han , Xiao Duan 
Published: December 2020

AbstractThe bone marrow microenvironment plays an essential role in multiple myeloma (MM) progression. We aimed to explore the alterations of levels of long noncoding RNAs and messenger RNAs (mRNAs), derived from exosomes in peripheral blood, in resistance to bortezomib (Btz) of MM patients. Peripheral blood samples were collected from five Btz‐resistant and five Btz‐sensitive MM patients. Exosomes in patients' peripheral blood were enriched, and the profiles of long noncoding RNAs (lncRNAs) and mRNAs in exosomes were determined using deep sequencing. Bioinformatics analysis was performed to explore biological function. MTS was employed to determine the viability of Roswell Park Memorial Institute (RPMI) 8226 and LP‐1 cells incubated with exosomes derived from Btz‐resistant patients. Quantitative polymerase chain reaction (qPCR) was used to evaluate the levels of exosomal FFAR1, SP9, HIST1H2BG, and ITIH2. Incubation with Btz‐resistant patient‐derived exosomes significantly increased the viability of Btz‐treated RPMI 8226 and LP‐1 cells in a dose‐dependent manner. We identified 482 lncRNAs and 2099 mRNAs deregulated in exosomes of the Btz‐resistance group; and 78 mRNAs were enriched in DR‐related pathways, including mammalian target of rapamycin, platinum drug resistance, and the cAMP and phosphoinositide 3‐kinase–Akt signaling pathways. qPCR results verified the increases in FFAR1 and SP9 and decreases in HIST1H2BG and ITIH2 in Btz‐resistant patient‐derived exosomes. Moreover, exosomal FFAR1 and SP9 exhibited potential as independent prognostic indicators of survival of MM patients. Our study reveals significant dysregulation of exosomal RNA components in the Btz‐resistant group of MM patients as well as several mRNAs that may be used as biomarkers of prognosis of MM patients that are resistant to Btz.
Clinical impact of bifurcation angle change between diastole and systole in complex stenting for left main distal bifurcation: The Milan and New‐Tokyo (MITO) Registry
Authors: Watanabe Yusuke , Mitomo Satoru , Naganuma Toru , Takagi Kensuke , Obata Hiroaki , Chieffo Alaide , Montorfano Matteo , Nakamura Sunao , Colombo Antonio 
Published: December 2020

AbstractObjectivesWe assessed the impact of pre‐percutaneous coronary intervention (PCI) bifurcation angle change (BAC) on clinical outcomes.BackgroundThere are little available data about the impact of BAC in unprotected left main distal bifurcation lesions (ULMD) PCI.MethodsWe identified consecutive 300 patients with ULMD underwent complex stenting using drug‐eluting stent in three high‐volume centers (Tokyo and Milan). We measured the widest BA of ULMD at both end‐diastole and end‐systole before stenting with two‐dimensional quantitative coronary angiographic assessment and calculated the BAC value as a difference of two BA value in each lesion. We divided them into small and large BAC group according to the median BAC value (7.2°). The primary endpoint was target lesion failure (TLF), which was defined as a composite of cardiac death, target lesion revascularization (TLR) and myocardial infarction.ResultsTLF rate at 3‐year was significantly higher in the large BAC group than in the small BAC group (adjusted hazard ratio [HR] 5.85; 95% confidence interval [CI], 3.40–10.1; p < .001). TLR rate for left main (LM) to left anterior descending artery (LAD) and ostial left circumflex artery (LCXos) at 3‐year were significantly higher in large BAC group than in small BAC group (adjusted HR 5.91; 95% CI, 2.03–17.2; p = .001 and adjusted HR 10.6; 95% CI, 5.20–21.6; p < .001, respectively).ConclusionsA large BAC before stenting is strongly associated with adverse events after complex stenting for ULMD, mainly driven by repeat PCI for restenosis of the LCXos and of the LM‐LAD.
Histobulin as a complementary but essential therapeutic for Intravenous Immune Globulin Therapy of Pfeiffer‐Weber‐Christian disease with multiple allergic diseases and its effects on allergic disease: A case report
Authors: Noh Geunwoong 
Published: December 2020

AbstractHistobulin is complementary to IVIG therapy but is an essential therapeutic for PWCD. Histoublin is recommended not only in atopic dermatitis and multiple food allergies but also in patients with multiple allergic diseases.
The Relationship of William Henry Perkin, Jr. and Sir Robert Robinson: Teacher and Student, then Student and Teacher
Authors: Seeman Jeffrey I. 
Published: December 2020

AbstractWilliam Henry Perkin, Jr. FRS, the son of the inventor of mauve and other commercial dyes and credited for initiating the industrialization of chemistry, was himself a notable chemist. He was the Professor of Organic Chemistry at Manchester from 1892–1912 and then was the Waynflete Professor of Chemistry at Oxford and the first Head of the Dyson Perrins Laboratory from 1912–1929. One of Perkin's graduate students and research assistants at Manchester was Robert Robinson, subsequently Sir Robert Robinson, FRS and recipient of the 1947 Nobel Prize in Chemistry. Perkin and Robinson had perhaps the most productive and broad collaboration between a professor and one's student. Together, during and after Robinson's student days, they had 71 joint publications, 25 of which involved just the two of them, 17 of which involved the structure determination of strychnine, and eight of which were published after Perkin's death in 1929. Upon Perkin's early death, Robinson succeeded him as the fourth Waynflete Professor of Chemistry at the Dyson Perrins Laboratory, Oxford University. This Essay will examine the professional relationship of Perkin, Jr. and Robinson as revealed in their joint publications on the structure of strychnine.
Chemical Bonding as a New Avenue for Controlling Excited‐State Properties and Excitation Energy‐Transfer Processes in Zinc Phthalocyanine–Fullerene Dyads
Authors: Li Zi‐Wen , Yang Jia‐Jia , Liu Xiang‐Yang , Fang Wei‐Hai , Wang Haobin , Cui Ganglong 
Published: December 2020

AbstractWhether chemical bonding can regulate the excited‐state and optoelectronic properties of donor–acceptor dyads has been largely elusive. In this work, we used electronic structure and nonadiabatic dynamics methods to explore the excited‐state properties of covalently bonded zinc phthalocyanine (ZnPc)‐fullerene (C60) dyads with a 6–6 (or 5–6) bonding configuration in which ZnPc is bonded to two carbon atoms shared by the two hexagonal rings (or a pentagonal and a hexagonal ring) in C60. In both cases, the locally excited (LE) states on ZnPc are spectroscopically bright. However, their different chemical bonding differentiates the electronic interactions between ZnPc and C60. In the 5–6 bonding configuration, the LE states on ZnPc are much higher in energy than the LE states on C60. Thus, the excitation energy transfer from ZnPc to C60 is thermodynamically favorable. On the other hand, in the 6–6 bonding configuration, such a process is inhibited because the LE states on ZnPc are the lowest ones. More detailed mechanisms are elucidated from nonadiabatic dynamics simulations. In the 6–6 bonding configuration, no excitation energy transfer was observed. In contrast, in the 5–6 bonding configuration, several LE and charge‐transfer (CT) excitons were shown to participate in the energy‐transfer process. Further analysis reveals that the photoinduced energy transfer is mediated by a CT exciton, such that electron‐ and hole‐transfer processes take place in a concerted but asynchronous manner in the excitation energy transfer. It is also found that high‐level electronic structure methods including exciton effects are indispensable to accurately describe photoinduced energy‐ and electron‐transfer processes. Furthermore, this work opens up new avenues for regulating the excited‐state properties of molecular donor–acceptor dyads by means of chemical bonding.
Acquired von Willebrand syndrome and factor VIII in patients with moderate to severe mitral regurgitation undergoing transcatheter mitral valve repair
Authors: Meindl Christine , Paulus Michael , Koller Theresia , Rogalski Dominik , Hamerle Michael , Schach Christian , Buchner Stefan , Zeman Florian , Maier Lars S. , Debl Kurt , Unsöld Bernhard , Birner Christoph 
Published: December 2020

AbstractBackground and HypothesisThe acquired von Willebrand syndrome (AvWS), which predisposes to bleeding events, is often related to valvular heart diseases. We investigated possible implications of AvWS and factor VIII levels in patients with moderate to severe mitral regurgitation (MR) undergoing transcatheter mitral valve repair (TMVR).Methods and Results123 patients with moderate to severe MR were prospectively enrolled. Complete measurements of von Willebrand Factor activity (vWFAct), von Willebrand Factor antigen (vWFAg), and factor VIII expression before and 4 weeks after TMVR were available in 85 patients. At baseline, seven patients had a history of gastrointestinal bleeding, two patients suffered bleeding events during their hospital stay, and one patient had a bleeding 4 weeks after TMVR. Even though vWFAct, vWFAct/vWFAg ratio and vWFAg values did not change after TMVR, we observed a significantly lower vWFAct/vWFAg ratio in patients with primary MR as compared to patients with secondary MR both at baseline (p = 0.022) and 4 weeks following the TMVR procedure (p = 0.003). Additionally, patients with a mean mitral valve gradient ≥4 mmHg after TMVR had significantly lower vWFAct/vWFAg ratios as compared to patients with a mean mitral valve gradient <4 mmHg (p = 0.001).ConclusionsMR of primary etiology was associated with lower vWFAct/vWFAg ratio, hinting toward HMWM loss due to shear stress caused by eccentric regurgitation jets. In addition, morphological changes leading to postprocedural transmitral gradients ≥4 mmHg were related to lower vWFAct/vWFAg ratio 4 weeks after the procedure. Alterations of the vWFAct/vWFAg ratio in turn did not translate into a greater risk for bleeding events.
Best practices for the development, analytical validation and clinical implementation of flow cytometric methods for chimeric antigen receptor T cell analyses
Authors: Sarikonda Ghanashyam , Mathieu Mélissa , Natalia Mahwish , Pahuja Anil , Xue Qiong , Pierog Piotr L. , Trampont Paul C. , Decman Vilma , Reynolds Susan , Hanafi Laïla‐Aïcha , Sun Yongliang S. , Eck Steven , Hedrick Michael N. , Stewart Jennifer J. , Tangri Shabnam , Litwin Virginia , Dakappagari Naveen 
Published: December 2020

AbstractChimeric Antigen Receptor (CAR) T cells are recognized as efficacious therapies with demonstrated ability to produce durable responses in blood cancer patients. Regulatory approvals and acceptance of these unique therapies by patients and reimbursement agencies have led to a significant increase in the number of next generation CAR T clinical trials. Flow cytometry is a powerful tool for comprehensive profiling of individual CAR T cells at multiple stages of clinical development, from product characterization during manufacturing to longitudinal evaluation of the infused product in patients. There are unique challenges with regard to the development and validation of flow cytometric methods for CAR T cells; moreover, the assay requirements for manufacturing and clinical monitoring differ. Based on the collective experience of the authors, this recommendation paper aims to review these challenges and present approaches to address them. The discussion focuses on describing key considerations for the design, optimization, validation and implementation of flow cytometric methods during the clinical development of CAR T cell therapies.
Suicide attempts among people with eating disorders and adverse childhood experiences: Results from a nationally representative sample of adults
Authors: Forrest Lauren N. , Grilo Carlos M. , Udo Tomoko 
Published: December 2020

AbstractObjectivePeople with eating disorders (EDs) have elevated rates of suicide attempts. A need exists to identify factors that help predict which people with EDs might be at greater risk for suicidal behavior. Adverse childhood experiences (ACEs) are associated with both EDs and with suicide attempts. Thus, the current study examined whether having histories of ACEs and EDs augments lifetime risk for suicide attempts.MethodThis study included 36,146 adult participants in the National Epidemiologic Survey on Alcohol and Related Conditions‐III who completed structured diagnostic interviews and answered questions regarding ACEs and suicide attempts. Weighted means, frequencies, and cross‐tabulations were computed for prevalence of ACEs and suicide attempts by ED diagnosis. Multiple logistic regression was used to compare risk of lifetime suicide attempts by ED diagnosis and ACE history.ResultsPrevalence of ACEs among people with EDs was 54.1–67.8%. ACE history and ED diagnosis were associated with elevated odds of experiencing a lifetime suicide attempt (AORs = 4.64–6.45 and 3.20–4.06, respectively). There was no ACE history‐by‐ED interaction on risk of suicide attempt, regardless of forms of EDs.DiscussionACEs are common among people with EDs and associated significantly with suicide attempts, but ACEs and EDs do not appear to interact to augment risk for suicide attempts. Considering ACE exposure in theoretical models of suicidal behavior in people with and without EDs and in suicide risk assessment and management with people with EDs may prove useful.
As old as the hills: Pliocene palaeogeographical processes influence patterns of genetic structure in the widespread, common shrub Banksia sessilis
Authors: Nistelberger Heidi Maria , Tapper Sarah‐Louise , Coates David J. , McArthur Shelley L. , Byrne Margaret 
Published: December 2020

AbstractThe impact of Quaternary glaciation on the development of phylogeographic structure in plant species is well documented. In unglaciated landscapes, phylogeographic patterns tend to reflect processes relating to persistence and stochasticity, yet other factors, associated with the palaeogeographical history of the landscape, including geomorphological events, can also have a significant influence. The unglaciated landscape of south‐western Western Australia is an ideal location to observe these ancient drivers of lineage diversification, with tectonic activity associated with the Darling Fault in the late Pliocene attributed to patterns of deep phylogeographic divergence in a widespread tree from this region. Interestingly, other species within this region have not shown this pattern and this palaeogeographical boundary therefore presents an opportunity to examine age and historical distribution of plant species endemic to this region. In this study, we assess patterns of genetic diversity and structure across 28 populations of the widespread shrub Banksia sessilis using three cpDNA markers and nine nuclear microsatellite markers. Sixteen cpDNA haplotypes were identified, comprising two major chloroplast DNA lineages that are estimated to have diverged in the Pliocene, approximately 3.3 million years ago. This timing coincides with major geomorphological processes in the landscape, including the separation of the Darling Plateau from the adjacent Swan Coastal Plain, as well as eustatic changes on the Swan Coastal Plain that are likely to have resulted in the physical isolation of historical plant lineages. Chloroplast lineages were broadly aligned with populations associated with older lateritic soils of the Darling Plateau and Geraldton sandplains or the younger sandy soils associated with the Swan Coastal Plain and Southern Coastline. This structural pattern of lateritic versus non‐lateritic division was not observed in the nuclear microsatellite data that identified three genetic clades that roughly corresponded to populations in the North, South, and Central portions of the distributions.
Magnetic Molecular Rectangles Constructed from Functionalized Nitronyl‐Nitroxide Ligands and Lanthanide(III) Ions
Authors: Calancea Sergiu , Carrella Luca , Mocanu Teodora , Sadohin Vladimir , Raduca Mihai , Gutu Iacob , da Rocha Julio C. , Vaz Maria G. F. , Rentschler Eva , Andruh Marius 
Published: December 2020

AbstractFive binuclear complexes with rectangular topology have been synthesized using a nitronyl‐nitroxide ligand (L) functionalized with a pyrazole coordinating group: [Ln2(hfac)2L2], with Ln=Eu (1), Gd (2 a, 2 b), Tb (3), Dy (4), Tm (5). The EuIII and TmIII complexes crystallize in the P21/n space group, while the GdIII, TbIII, and DyIII derivatives crystalize in P‐1 space group. The crystal structures for compounds 2 a, 3, 4, and 5 have been fully solved, while for compounds 1 and 2 b, the unit cell parameters have been measured and compared with crystals 3 and 5. Crystals 2 a (P21/n) and 2 b (P‐1) are polymorphic forms. In these complexes the nitronyl‐nitroxide ligand bridges two metal ions through one aminoxyl group and the pyrazole fragment. In the five complexes the LnIII ions show a coordination number of eight with a triangular dodecahedron geometry. The magnetic properties of all five complexes have been investigated. For compounds 2, 3, and 4 the LnIII‐Rad interaction was found to be ferromagnetic: JGdRad=2.09(1) cm−1 [H=‐2JGdRad(SGd1SRad1+SGd2SRad2], JTbRad=1.93(14) cm−1, JDyRad=1.72(14) cm−1. The TmIII‐Rad coupling is antiferromagnetic (JTmRad=−0.53(1) cm−1). For the TbIII, DyIII, and TmIII complexes the effects of the crystal field have been taken into account in the fitting procedure.
Sulfur Tuning of [1,3]‐Dioxolo[4.5‐f]benzodioxole (DBD) Fluorescent Dyes
Authors: Wessig Pablo , John Leonard , Sperlich Eric , Kelling Alexandra 
Published: December 2020

AbstractThe replacement of oxygen by sulfur atoms of [1,3]‐dioxolo[4.5‐f]benzodioxole (DBD) fluorescent dyes is an efficient way to adjust the photophysical properties (sulfur tuning). While previously developed S4‐DBD dyes exhibit considerably red‐shifted absorption and emission wavelength, the heavy atom effect of four sulfur atoms cause low fluorescence quantum yields and short fluorescence lifetimes. Herein, we demonstrate that the replacement of less than four sulfur atoms (S1‐DBD, 1,2‐S2‐DBD, and 1,4‐S2‐DBD dyes) permits a fine‐tuning of the photophysical properties. In some cases, a similar influence on the wavelength without the detrimental effect on the quantum yields and lifetimes is observed. Furthermore, the synthetic accessibility of S1‐ and S2‐DBD dyes is improved, compared with S4‐DBD dyes. For coupling with biomolecules a series of reactive derivatives of the new dyes were developed (azides, OSu esters, alkynes, maleimides).
C−H Activation and Cross‐Coupling of Acyclic Aldonitrone
Authors: Brześkiewicz Jakub , Stańska Barbara , Dąbrowski Piotr , Loska Rafał 
Published: December 2020

AbstractPalladium‐catalyzed activation of C(sp2)−H bond in a readily E,Z‐isomerizable aldonitrone, bearing an ester group at the C terminus, enabled its cross‐coupling with a variety of aryl and heteroaryl bromides to give ketonitrones, including products with functional groups not compatible with the classical nitrone synthesis via condensation with hydroxylamines. The reactions proceeded with very high (usually complete) E selectivity. The key to obtaining good yields of the cross‐coupling products was the use of sterically hindered carboxylic acid as additive and non‐polar solvent (toluene), in which the starting nitrone exists mainly as E isomer. Further use of the obtained ketonitrones in dipolar cycloaddition or nucleophilic addition has also been demonstrated.
Triboelectric nanogenerator based on degradable materials
Authors: Chao Shengyu , Ouyang Han , Jiang Dongjie , Fan Yubo , Li Zhou 
Published: December 2020

AbstractGreen and eco‐friendly energy technology are crucial to reduce environmental pollution caused by fossil fuels. Triboelectric nanogenerator (TENG), as an emergency green energy technology, which can get the energy from the surrounding environment and organism. The development of TENG based on degradable materials strongly promote the next‐generation green energy technologies that will effectively avoid pollution and hazards caused by metal and hardly degradable plastic materials. In this review, we summarize the TENG based on degradable materials and its applications. The typical degradable materials for TENG are animal‐based degradable material, plant‐based degradable material, and artificial degradable material. We provide perspectives on the challenges and potential solutions associated with the next‐generation degradable TENG. Beyond the material issue, we highlight the full biodegradable devices that show the healthcare function in vivo.image