bluuebunny/crossref_metadata_2025_split huggingface dataset:
Use of generally recognized as safe or dietary compounds to inhibit buprenorphine metabolism: potential to improve buprenorphine oral bioavailability
Authors: Maharao Neha , Venitz Jurgen , Gerk Phillip M. 
Published: December 2018

AbstractThe present study evaluated the potential of five generally recognized as safe (GRAS) or dietary compounds (α‐mangostin, chrysin, ginger extract, pterostilbene and silybin) to inhibit oxidative (CYP) and conjugative (UGT) metabolism using pooled human intestinal and liver microsomes. Buprenorphine was chosen as the model substrate as it is extensively metabolized by CYPs to norbuprenorphine and by UGTs to buprenorphine glucuronide. Chrysin, ginger extract, α‐mangostin, pterostilbene and silybin were tested for their inhibition of the formation of norbuprenorphine or buprenorphine glucuronide in both intestinal and liver microsomes. Pterostilbene was the most potent inhibitor of norbuprenorphine formation in both intestinal and liver microsomes, with IC50 values of 1.3 and 0.8 μM, respectively, while α‐mangostin and silybin most potently inhibited buprenorphine glucuronide formation. The equipotent combination of pterostilbene and ginger extract additively inhibited both pathways in intestinal microsomes. Since pterostilbene and ginger extract showed potent CYP and/or UGT inhibition of buprenorphine metabolism, their equipotent combination was tested to assess the presence of synergistic inhibition. However, because the combination showed additive inhibition, it was not used while performing IVIVE analysis. Based on quantitative in vitro–in vivo extrapolation, pterostilbene (21 mg oral dose) appeared to be most effective in improving the mean predicted Foral and AUC∞PO of buprenorphine from 3 ± 2% and 340 ± 330 ng*min/ml to 75 ± 8% and 36,000 ± 25,000 ng*min/ml, respectively. At a 10‐fold lower dose of pterostilbene, the predicted buprenorphine Foral approximated sublingual bioavailability (~35%) and showed a 2–4 fold reduction in the variability around the predicted AUC∞PO of buprenorphine. These results demonstrate the feasibility of using various GRAS/dietary compounds to inhibit substantially the metabolism by CYP and UGT enzymes to achieve higher and less variable oral bioavailability. This inhibitor strategy may be useful for drugs suffering from low and variable oral bioavailability due to extensive presystemic oxidative and/or conjugative metabolism.
The first example of fluorescence of the solid individual compounds of Eu2+ ion: EuCl2, EuI2, EuBr2
Authors: Galimov D.I. , Bulgakov R.G. 
Published: December 2018

AbstractFluorescence (FL) from Eu2+ ion solid individual compounds was observed for the first time using the examples EuCl2, EuI2 and EuBr2. Fluorescence was detected at excitation by ultraviolet (UV) light from powdered samples of Eu (II) halides at room temperature (RT) in an argon atmosphere. In air, FL of all Eu2+ compounds studied was stable, and intensity persisted for weeks. Depending on the nature of the halide anion and due to a nephelauxetic effect, the position of the maxima in the FL spectra underwent a red shift in the series: EuCl2 (409 nm) < EuBr2 (428 mm) < EuI2 (432 nm). The lifetimes of the excited states of the Eu2+* ions for EuI2, EuCl2 and EuBr2 were 355, 76 and 54 ns, respectively.
Quantification of three triterpenic acids in dried rosemary using HPLC‐fluorescence detection and 4‐(4,5‐diphenyl‐1H‐imidazole‐2‐yl)benzoyl chloride derivatization
Authors: Wada Mitsuhiro , Tojoh Yui , Nakamura Shinichi , Mutoh Junpei , Kai Hisahiro , Matsuno Koji , Nakashima Kenichiro 
Published: December 2018

AbstractFunctional triterpenic acids such as ursolic acid (UA), oleanolic acid (OA) and betulinic acid (BA) are representative ingredients in rosemary that may have health benefits. UA, OA and BA in rosemary extracts were derivatized with 4‐(4,5‐diphenyl‐1H‐imidazole‐2‐yl)benzoyl chloride (DIB‐Cl) and detected using HPLC‐fluorescence (FL). Dried rosemary (50 mg) was ground, added to 3 ml of ethanol, sonicated for 40 min, then the sample solution was added to a mixture of 1% trimethylamine and 1 mM DIB‐Cl in acetonitrile. The mixture was settled for 5 min at room temperature, then the DIB‐triterpenic acid derivatives were separated using a Wakopak Handy ODS column (250 × 4.6 mm, 6 μm) eluted with 25 mM acetate buffer (pH 4.5)/methanol/acetonitrile (= 8:10:82 v/v/v%). The fluorescence intensity of the eluent was monitored at 365 (λex) and 490 nm (λem) and the maximum retention time of the derivatives was 30 min. Calibration curves constructed using rosemary extract spiked with standards showed good linearity (r ≥ 0.997) in the range 2.5–100 ng/ml. The detection limits at 3σ for internal BA, UA and OA peaks in rosemary extract were 0.2, 0.4 and 0.5 ng/ml, respectively. This method was used to quantify BA, UA and OA in commercially available dried rosemary products.
Superficial siderosis due to filum terminale tumor: An uncommon cause of cranial nerve dysfunction
Authors: Campion Tom , Arfeen Farrukh , Adams Ashok 
Published: December 2018

Key Clinical MessageIf superficial siderosis is suspected based on clinical presentation, susceptibility weighted imaging should be undertaken in addition to standard MRI sequences as it is more sensitive than T2 weighted imaging. Once diagnosed, imaging of the entire brain and spine must be undertaken to assess for an underlying cause.
Thixotropic Behavior of Oil‐in‐Water Emulsions Stabilized with Ethoxylated Amines at Low Shear Rates
Authors: Grecco Zanotti Maria Augusta , Gonçalves dos Santos Ronaldo 
Published: December 2018

AbstractOil‐in‐water (O/W) emulsification is a lubricating pipeline method based on the reduction of the energy frictional loss produced during viscous flow. The flow behavior of heavy O/W emulsions formulated with nonionic surfactants is described. The effects of pH and salinity of the aqueous phase on droplet diameter, stability, and apparent viscosity of O/W emulsions were evaluated. The low‐shear Couette flow of O/W emulsions displayed intense shear‐thinning and thixotropic behavior. Thixotropy was associated to the droplet deformation energy caused by shear rate changes. The droplet deformation and alignment led to the apparent viscosity reduction compared to the fluid at rest. Thixotropic behavior is supposed to balance between the breakdown and recovery of droplet ordered structures. Emulsion formulation parameters were influenced by the aqueous phase pH, enabling to manage the emulsion properties. The droplet mean diameter of < 18 µm resulted in very stable emulsions.
Comparison of Electrospun Carbon−Carbon Composite and Commercial Felt for Their Activity and Electrolyte Utilization in Vanadium Redox Flow Batteries
Authors: Fetyan Abdulmonem , Schneider Jonathan , Schnucklake Maike , El‐Nagar Gumaa A. , Banerjee Rupak , Bevilacqua Nico , Zeis Roswitha , Roth Christina 
Published: December 2018

AbstractInvited for this month's cover picture is the joint project between the groups of Prof. Christina Roth (Freie Universität Berlin, Germany) and Dr. Roswitha Zeis (Helmholtz Institute Ulm, Germany). The cover image shows electrospun nanofibers used as the electrode in a vanadium redox flow battery. Read the full text of the Article at 10.1002/celc.201801128.
Dramatically Enhanced Li‐Ion Storage of ZnO@C Anodes through TiO2 Homogeneous Hybridization
Authors: Liu Zhengbo , Ji Shaomin , Xu Xijun , Hu Renzong , Liu Jiangwen , Liu Jun 
Published: December 2018

AbstractAmorphous nanoparticles of ZnO and TiO2 embedded in carbon nanocages (AZT⊂CNCs) were successfully synthesized through a simple annealing process of TiO2‐coated zeolitic imidazolate framework‐8 (ZIF‐8). In the current anode of AZT⊂CNCs, tiny ZnO and TiO2 nanoparticles were uniformly distributed in the carbon matrix (carbon nanocages), which could effectively buffer the volume expansion of electroactive ZnO and provide excellent electric conductivity. After fully investigating the electrochemical performance of the AZT⊂CNCs samples obtained with different additive amounts of tetrabutyl orthotitanate (TBOT) for TiO2 coating, it has been found that AZT‐30 (0.1 g ZIF‐8 with 30 mL TBOT) shows the best cycle stability (510 mA h g−1 after 350 cycles at 200 mA g−1) and a superior rate capability (610 mA h g−1 after 3500 cycles at 2 A g−1). The greatly enhanced Li‐ion storage performance could be ascribed to the fact that the introduction of amorphous TiO2 could activate the reversible lithiation/delithiation reaction of ZnO during the charge/discharge process.
Synthesis and Structure Determination of SCM‐15: A 3D Large Pore Zeolite with Interconnected Straight 12×12×10‐Ring Channels
Authors: Luo Yi , Smeets Stef , Wang Zhendong , Sun Junliang , Yang Weimin 
Published: December 2018

AbstractA new germanosilicate zeolite named SCM‐15 (Sinopec Composite Material No. 15), the first zeolite containing a 3‐dimensional (3D) channel system with interconnected 12‐, 12‐, and 10‐ring channels (pore sizes: 6.1×7.2, 6.1×7.4, and 5.2×5.9 Å), has been synthesized using neutral 4‐pyrrolidinopyridine as organic structure‐directing agents (OSDAs). Its structure has been determined by combining single‐crystal electron diffraction (SCED) and synchrotron powder X‐ray diffraction (SPXD) data. The unique open framework structure of SCM‐15 is related to that of FOS‐5 (BEC), ITQ‐7 (ISV), PKU‐16 (POS), ITQ‐26 (IWS), ITQ‐21, Beta polymorph B, and SU‐78B, since all these framework structures can be constructed from similar chains which are connected through shared 4‐ring or double 4‐ring (d4r) units. Based on this relation, six topologically reasonable 3D large or extra‐large pore hypothetical zeolites are predicted.
Radical Carbofluorination of Alkenes with Arylhydrazines and Selectfluor: Additives, Mechanistic Pathways, and Polar Effects
Authors: Pirzer Anna S. , Alvarez Eva‐Maria , Friedrich Heike , Heinrich Markus R. 
Published: December 2018

AbstractRadical carbofluorination reactions starting from arylhydrazines and nonactivated alkenes, in which the C−F bond is formed through the use of Selectfluor, can be improved through the addition of anisole. Because direct trapping products could be detected only in trace amounts, anisole does primarily act as a reversible scavenger for the highly reactive ammonium radical dication released from Selectfluor in the C−F bond‐forming step. As shown for three diverse substitution patterns, the main role of anisole is to prevent, or at least reduce, the undesired addition of the ammonium radical dication to the alkene, which in turn leads to an unfavorable consumption of the arylhydrazine‐derived precursors required for carbofluorination. Moreover, besides the remarkable polar effects in radical trapping, this study shows that the Selectfluor‐derived nitrogen‐centered radical dication may add directly to alkenes, which has not been described so far.
Heterogeneous catalysis in multi‐stage fluidized bed reactors: From fundamental study to industrial application
Authors: Zhang Chenxi , Qian Weizhong , Wang Yao , Luo Guohua , Wei Fei 
Published: December 2018

AbstractThe multi‐stage fluidized bed (MSFB) reactor with several stages connected in series prevents gas and solids back‐mixing effectively and obtains the plug‐flow reactor performance. Besides, different process steps can be accomplished in a single reactor by establishing different temperatures and/or concentrations in each stage. Therefore, multi‐stage fluidized bed reactors are acknowledged as novel and flexible multi‐phase flow reactors for heterogeneous catalytic processes, especially with the intermediates as the desired products. Typical process developments in the industry involve the methanol to aromatics (MTA), regeneration in fluid catalytic cracking (FCC), and hydrogenation of nitrobenzene to aniline. The purpose of this article is to provide a comprehensive review of the fundamental research as well as particular industrial applications on multi‐stage fluidized bed reactors in the Fluidization Laboratory of Tsinghua University (FLOTU).
Predictive Alarm Generation for Chemical Processes with Unknown Disturbance
Authors: Khan Mohammad Aminul Islam , Imtiaz Syed Ahmad , Khan Faisal 
Published: December 2018

AbstractA predictive warning generation scheme for chemical processes with unknown disturbances is proposed in this paper. The proposed methodology uses predicted states of a process system evaluated from the open loop process model and disturbance estimates. Alarms are issued for two conditions, during a time delay period and at the steady state. Disturbances are estimated using unknown input estimators. The moving horizon predictor combined with bias correction is used to predict the dynamic state of a process for a time‐delay period. To generate warnings for actuator limitations, steady state gain for disturbances along with input constraints are used to check for a feasible solution for using linear programming. A warning is generated to the operator when a feasible solution does not exist. The proposed methodology is demonstrated in a simulated model for a continuous stirred tank heater system (CSTH). Results show an early detection of an abnormal situation that provides the operator a lead time to react in the case of a disturbance affecting the system.
Efficient epoxidation of vegetable oils through the employment of acidic ion exchange resins
Authors: Gómez‐de‐Miranda‐Jiménez‐de‐Aberasturi Olga , Perez‐Arce Jonatan 
Published: December 2018

AbstractThe epoxidation of vegetable oils is a chemical or biochemical reaction where oil triglycerides are converted into more reactive molecules. These will be further transformed into a broad variety of products with significant potential for industrial applications. The epoxidation of vegetable oils consists of a commercially established process that uses homogeneous mineral acids as catalysts. In this paper, different strong acidic ion exchange resins were evaluated as alternatives to substitute the commercial homogeneous catalysts. Amberlyst 39 was selected as the most promising one to explore the effect of the variables such as temperature, acetic acid, or hydrogen peroxide concentration in sunflower oil epoxidation. The optimal operational conditions that maximized the conversion and oxirane yield were determined. Then, these values were applied in several catalyst reuses for establishing the resin durability. Results show that by employing ion exchange resins, excellent product yields and selectivity are obtained, minimizing post‐reaction purification needs.
Identifying Lysophosphatidic Acid Acyltransferase β (LPAAT‐β) as the Target of a Nanomolar Angiogenesis Inhibitor from a Phenotypic Screen Using the Polypharmacology Browser PPB2
Authors: Poirier Marion , Awale Mahendra , Roelli Matthias A. , Giuffredi Guy T. , Ruddigkeit Lars , Evensen Lasse , Stooss Amandine , Calarco Serafina , Lorens James B. , Charles Roch‐Philippe , Reymond Jean‐Louis 
Published: December 2018

AbstractBy screening a focused library of kinase inhibitor analogues in a phenotypic co‐culture assay for angiogenesis inhibition, we identified an aminotriazine that acts as a cytostatic nanomolar inhibitor. However, this aminotriazine was found to be completely inactive in a whole‐kinome profiling assay. To decipher its mechanism of action, we used the online target prediction tool PPB2 (http://ppb2.gdb.tools), which suggested lysophosphatidic acid acyltransferase β (LPAAT‐β) as a possible target for this aminotriazine as well as several analogues identified by structure–activity relationship profiling. LPAAT‐β inhibition (IC50 ≈15 nm) was confirmed in a biochemical assay and by its effects on cell proliferation in comparison with a known LPAAT‐β inhibitor. These experiments illustrate the value of target‐prediction tools to guide target identification for phenotypic screening hits and significantly expand the rather limited pharmacology of LPAAT‐β inhibitors.
Discovery of Affinity‐Based Probes for Btk Occupancy Assays
Authors: Qiu Hui , Caldwell Richard , Liu‐Bujalski Lesley , Goutopoulos Andreas , Jones Reinaldo , Potnick Justin , Sherer Brian , Bender Andrew , Grenningloh Roland , Xu Daigen , Gardberg Anna , Mochalkin Igor , Johnson Theresa , Viacava Follis Ariele , Head Jared , Morandi Federica 
Published: December 2018

AbstractBruton's tyrosine kinase (Btk) is an attractive target for the treatment of a wide array of B‐cell malignancies and autoimmune diseases. Small‐molecule covalent irreversible Btk inhibitors targeting Cys481 have been developed for the treatment of such diseases. In clinical trials, probe molecules are required in occupancy studies to measure the level of engagement of the protein by these covalent irreversible inhibitors. The result of this pharmacodynamic (PD) activity provides guidance for appropriate dosage selection to optimize inhibition of the drug target and correlation of target inhibition with disease treatment efficacy. This information is crucial for successful evaluation of drug candidates in clinical trials. Based on the pyridine carboxamide scaffold of a novel solvent‐accessible pocket (SAP) series of covalent irreversible Btk inhibitors, we successfully developed a potent and selective affinity‐based biotinylated probe 12 (2‐[(4‐{4‐[5‐(1‐{5‐[(3aS,4S,6aR)‐2‐oxo‐hexahydro‐1H‐thieno[3,4‐d]imidazol‐4‐yl]pentanamido}‐3,6,9,12‐tetraoxapentadecan‐15‐amido)pentanoyl]piperazine‐1‐carbonyl}phenyl)amino]‐6‐[1‐(prop‐2‐enoyl)piperidin‐4‐yl]pyridine‐3‐carboxamide). Compound 12 has been used in Btk occupancy assays for preclinical studies to determine the therapeutic efficacy of Btk inhibition in two mouse lupus models driven by TLR7 activation and type I interferon.
Minimal residual disease–based long‐term efficacy of reduced‐intensity conditioning versus myeloablative conditioning for adult Philadelphia‐positive acute lymphoblastic leukemia
Authors: Yoon Jae‐Ho , Min Gi June , Park Sung‐Soo , Jeon Young‐Woo , Lee Sung‐Eun , Cho Byung‐Sik , Eom Ki‐Seong , Kim Yoo‐Jin , Kim Hee‐Je , Min Chang‐Ki , Cho Seok‐Goo , Kim Dong‐Wook , Lee Jong Wook , Lee Seok 
Published: December 2018

BackgroundThe sensitivity of Philadelphia chromosome (Ph)–positive acute lymphoblastic leukemia (ALL) to reduced‐intensity conditioning (RIC) allogeneic hematopoietic cell transplantation (HCT) versus myeloablative conditioning (MAC) allogeneic HCT by minimal residual disease (MRD) kinetics is not well established.MethodsThis study compared long‐term outcomes based on MRD kinetics for 79 patients with RIC transplants and 116 patients with MAC transplants in first complete remission (CR1) after tyrosine kinase inhibitor–based chemotherapy (median follow‐up, 67.1 months). MRD monitoring was centrally evaluated by real‐time quantitative polymerase chain reaction for all patients.ResultsRIC showed a cumulative incidence of relapse (CIR; 30.6% vs 31.7%), nonrelapse mortality (17.5% vs 14.9%), disease‐free survival (DFS; 51.9% vs 53.4%), and overall survival (61.1% vs 61.4%) comparable to those associated with MAC. In all MRD kinetics–based subgroups, no differences in CIR (early complete molecular response [CMR], 19.3% vs 4.8%; early major molecular response [MMR], 17.0% vs 26.8%; late CMR, 20.0% vs 14.3%; late MMR, 28.3% vs 31.0%; poor molecular response [PMR], 57.9% vs 62.4%) or DFS (early CMR, 71.6% vs 76.2%; early MMR, 66.9% vs 52.1%; late CMR, 50.0% vs 64.3%; late MMR, 50.7% vs 53.7%; PMR, 31.6% vs 34.1%) were observed between RIC and MAC. In a multivariate analysis, the conditioning intensity had no significant impact on transplantation outcomes.ConclusionsRIC is a valid alternative choice for long‐term disease control and is worthy of further investigation in prospective trials for adult Ph‐positive ALL in CR1.
A multicenter study of patients with multisystem Langerhans cell histiocytosis who develop secondary hemophagocytic lymphohistiocytosis
Authors: Chellapandian Deepak , Hines Melissa R. , Zhang Rui , Jeng Michael , van den Bos Cor , Santa‐María López Vicente , Lehmberg Kai , Sieni Elena , Wang Yini , Nakano Taizo , Williams James A. , Fustino Nicholas J. , Astigarraga Itziar , Dunkel Ira J. , Abla Oussama , van Halteren Astrid G.S. , Pei Deqing , Cheng Cheng , Weitzman Sheila , Sung Lillian , Nichols Kim E. 
Published: December 2018

AbstractBackgroundLangerhans cell histiocytosis (LCH) is a rare myeloid neoplasm characterized by the presence of abnormal CD1a‐positive (CD1a+)/CD207+ histiocytes. Hemophagocytic lymphohistiocytosis (HLH) represents a spectrum of hyperinflammatory syndromes typified by the dysregulated activation of the innate and adaptive immune systems. Patients with LCH, particularly those with multisystem (MS) involvement, can develop severe hyperinflammation mimicking that observed in HLH. Nevertheless, to the authors’ knowledge, little is known regarding the prevalence, timing, risk factors for development, and outcomes of children and young adults who develop HLH within the context of MS‐LCH (hereafter referred to LCH‐associated HLH).MethodsTo gain further insights, the authors conducted a retrospective, multicenter study and collected data regarding all patients diagnosed with MS‐LCH between 2000 and 2015.ResultsOf 384 patients with MS‐LCH, 32 were reported by their primary providers to have met the diagnostic criteria for HLH, yielding an estimated 2‐year cumulative incidence of 9.3% ± 1.6%. The majority of patients developed HLH at or after the diagnosis of MS‐LCH, and nearly one‐third (31%) had evidence of an intercurrent infection. Patient age <2 years at the time of diagnosis of LCH; female sex; LCH involvement of the liver, spleen, and hematopoietic system; and a lack of bone involvement each were found to be independently associated with an increased risk of LCH‐associated HLH. Patients with MS‐LCH who met the criteria for HLH had significantly poorer 5‐year survival compared with patients with MS‐LCH who did not meet the criteria for HLH (69% vs 97%; P < .0001).ConclusionsGiven its inferior prognosis, further efforts are warranted to enhance the recognition and optimize the treatment of patients with LCH‐associated HLH.
Colloidal FeIII, MnIII, CoIII, and CuII Hydroxides Stabilized by Starch as Catalysts of Water Oxidation Reaction with One Electron Oxidant Ru(bpy)33+
Authors: Chikunov Andrei S. , Taran Oxana P. , Pyshnaya Inna A. , Parmon Valentin N. 
Published: December 2018

AbstractColloidal catalysts for oxidation of water to dioxygen, which are stable on storage and under the reaction conditions, are synthesized based on CoIII, MnIII, FeIII and CuII hydroxides. Stabilization of the colloids with dextrated starch allows the process of hydroxide ageing to be stopped at the stage of the formation of primary nuclei (ca. 2–3 nm from transmission electron microscopy data). Molecular mechanics and dynamic light scattering studies indicate a core‐shell type structure of the catalysts, where the hydroxide core is stabilized by the molecular starch network (ca. 5–7 nm). The colloidal catalysts are highly efficient in oxidizing water with one electron oxidant Ru(bpy)33+ at pH 7 to 10. The influence of pH, catalyst concentration, and buffer nature on the oxygen yield is studied. The maximal yields are 72, 53, and 78 % over Fe‐, Mn‐ and Co‐containing catalysts, respectively, and turnover numbers are 7.8; 54 and 360, respectively. The Cu‐containing catalyst is poorly effective to the water oxidation (the maximal yield is 28 % O2). The synthesized catalysts are of interest for stopped‐flow kinetic studies of the mechanism of the water oxidation and as precursors for anchoring nanosized hydroxides onto various supports in order to develop biomimetic systems for artificial photosynthesis.