bluuebunny/crossref_metadata_2025_split huggingface dataset:
Determination of cycloserine in microdialysis samples using liquid chromatography–tandem mass spectrometry with benzoyl chloride derivatization
Authors: Zhang Wenjing , Wan Sihui , Chen Lizhi , Wang Xuebin , Wang Zhuo , Huang Yi 
Published: January 2018

AbstractA new method for the analysis of cycloserine (4‐amino‐3‐isoxazolidinone, CYC) in rat microdialysis samples has been developed. This method consists of derivatizing the CYC with benzoyl chloride, which transforms primary amines into highly stable derivatives. An attractive feature of this method was that the derivatization reaction is straightforward and can be completed within 10 min. The formed derivative, in contrast to the non‐derivatized analyte, exhibited increased chromatographic retention and decreased matrix effects resulting from the co‐elution of other components using reversed‐phase liquid chromatography and on‐line switching. Detection on a quadrupole–linear ion trap mass spectrometer (AB3200 Q‐Trap) was performed using electrospray tandem mass spectrometry in multiple reaction monitoring mode. Various derivatization parameters were optimized in order to improve chromatographic separation and minimize ion suppression. In particular, the benzoylation reaction was improved to enhance the reproducibility and sensitivity of the chromatographic method. The transition m/z 207.1 → 105.1 was acquired to monitor the CYC derivatization products. The method was fully validated for its sensitivity, selectivity, matrix effect and stability. A good linearity over the selected range (r > 0.99, range = 22–2200 mg/L), as well as accuracy and precision within ±7% of the target values, was obtained. The assay described herein was successfully applied to quantitatively measure CYC in the lung and blood of anesthetized rats.
Identification of the Biosynthetic Gene Cluster for Himeic Acid A: A Ubiquitin‐Activating Enzyme (E1) Inhibitor in Aspergillus japonicus MF275
Authors: Hashimoto Makoto , Kato Hikaru , Katsuki Ayako , Tsukamoto Sachiko , Fujii Isao 
Published: January 2018

AbstractHimeic acid A, which is produced by the marine fungus Aspergillus japonicus MF275, is a specific inhibitor of the ubiquitin‐activating enzyme E1 in the ubiquitin–proteasome system. To elucidate the mechanism of himeic acid biosynthesis, feeding experiments with labeled precursors have been performed. The long fatty acyl side chain attached to the pyrone ring is of polyketide origin, whereas the amide substituent is derived from leucine. These results suggest that a polyketide synthase–nonribosomal peptide synthase (PKS‐NRPS) is involved in himeic acid biosynthesis. A candidate gene cluster was selected from the results of genome sequencing analysis. Disruption of the PKS‐NRPS gene by Agrobacterium‐mediated transformation confirms that HimA PKS‐NRPS is involved in himeic acid biosynthesis. Thus, the him biosynthetic gene cluster for himeic acid in A. japonicus MF275 has been identified.
A Nanocrystalline POM@MOFs Catalyst for the Degradation of Phenol: Effective Cooperative Catalysis by Metal Nodes and POM Guests
Authors: Zhong Xiahua , Lu Ying , Luo Fang , Liu Yiwei , Li Xiaohui , Liu Shuxia 
Published: January 2018

AbstractCrystalline POM@MOFs hybrids are very promising for catalysis, due to catalytically active polyoxometalates (POMs) dispersed at the molecular level, and enhanced stability of both POMs and metal‐organic frameworks (MOFs). Herein, PW12 was encapsulated into MOF HKUST‐1 through a facile liquid‐assisted grinding method, and the obtained [Cu2(BTC)4/3(H2O)2]6[HPW12O40] (BTC=1,2,3‐benzenetricarboxylic acid) nanocrystals (NENU‐3N) were applied as catalysts in the degradation of phenol. It is the first time that liquid‐assisted grinding was applied in the preparation of nanocrystalline POM@MOFs hybrids. The NENU‐3N nanocrystals catalyzed the degradation of phenol on the basis of both MOF and POM catalytic activities, representing the first example of POM@MOFs catalyst boosting catalytic oxidation reaction with double actives sites. Strikingly, up to 97 % conversion and 88 % mineralization have successfully realized by perfect cooperative catalysis between POMs and CuII nodes in MOFs at 35 °C. Moreover, comparative experiments suggest that the reduced size of NENU‐3N catalyst is beneficial for improving its catalytic performance. Finally, the nanocrystalline NENU‐3N catalyst possesses high stability, which can be easily recovered and reused 5 times without loss of catalytic activity.
On the Field Relevance of Negative Lug Corrosion by Micro‐Hybrid Operation Mode in the Vehicle
Authors: Börger Alexander , Keil Sabrina Nadine 
Published: January 2018

AbstractBei Bleibatterien mit nicht festgelegter Batteriesäure (sog. Nassbatterien) ist vor geraumer Zeit das Auftreten eines neuen Schädigungsmechanismus beschrieben worden, die Abkorrosion negativer Stromableiter. Diese kann unter Laborbedingungen durch artifizielle Pulsfolgen erzeugt werden, die mit einer hohen Strombelastung einhergehen. Die Messergebnisse an Starterbatterien mit Referenzelektroden und echten Start‐Pulsen im Fahrzeug werden kontrastiert und lassen nicht den Schluss zu, dass es bei Start‐Stopp‐Betrieb tatsächlich zu vermehrter negativer Fahnenkorrosion kommen sollte.
Controlling the error on target motion through real‐time mesh adaptation: Applications to deep brain stimulation
Authors: Bui Huu Phuoc , Tomar Satyendra , Courtecuisse Hadrien , Audette Michel , Cotin Stéphane , Bordas Stéphane P.A. 
Published: January 2018

AbstractAn error‐controlled mesh refinement procedure for needle insertion simulations is presented. As an example, the procedure is applied for simulations of electrode implantation for deep brain stimulation. We take into account the brain shift phenomena occurring when a craniotomy is performed. We observe that the error in the computation of the displacement and stress fields is localised around the needle tip and the needle shaft during needle insertion simulation. By suitably and adaptively refining the mesh in this region, our approach enables to control, and thus to reduce, the error whilst maintaining a coarser mesh in other parts of the domain. Through academic and practical examples we demonstrate that our adaptive approach, as compared with a uniform coarse mesh, increases the accuracy of the displacement and stress fields around the needle shaft and, while for a given accuracy, saves computational time with respect to a uniform finer mesh. This facilitates real‐time simulations. The proposed methodology has direct implications in increasing the accuracy, and controlling the computational expense of the simulation of percutaneous procedures such as biopsy, brachytherapy, regional anaesthesia, or cryotherapy. Moreover, the proposed approach can be helpful in the development of robotic surgeries because the simulation taking place in the control loop of a robot needs to be accurate, and to occur in real time.
Investigating Protein–Ligand Interactions by Solution Nuclear Magnetic Resonance Spectroscopy
Authors: Becker Walter , Bhattiprolu Krishna Chaitanya , Gubensäk Nina , Zangger Klaus 
Published: January 2018

AbstractProtein–ligand interactions are of fundamental importance in almost all processes in living organisms. The ligands comprise small molecules, drugs or biological macromolecules and their interaction strength varies over several orders of magnitude. Solution NMR spectroscopy offers a large repertoire of techniques to study such complexes. Here, we give an overview of the different NMR approaches available. The information they provide ranges from the simple information about the presence of binding or epitope mapping to the complete 3 D structure of the complex. NMR spectroscopy is particularly useful for the study of weak interactions and for the screening of binding ligands with atomic resolution.
Different in vitro and in vivo tools for elucidating the human metabolism of alpha‐cathinone‐derived drugs of abuse
Authors: Manier Sascha K. , Richter Lilian H.J. , Schäper Jan , Maurer Hans H. , Meyer Markus R. 
Published: January 2018

AbstractIn vitro and in vivo experiments are widely used for studying the metabolism of new psychoactive substances (NPS). The availability of such data is required for toxicological risk assessments and development of urine screening approaches. This study investigated the in vitro metabolism of the 5 pyrrolidinophenone‐derived NPS alpha‐pyrrolidinobutyrophenone (alpha‐PBP), alpha‐pyrrolidinopentiothiophenone (alpha‐PVT), alpha‐pyrrolidinohexanophenone (alpha‐PHP), alpha‐pyrrolidinoenanthophenone (alpha‐PEP, PV8), and alpha‐pyrrolidinooctanophenone (alpha‐POP, PV9). First, they were incubated with pooled human liver microsomes (pHLM) or pooled human liver S9 fraction (pS9) for identification of the main phase I and II metabolites. All substances formed hydroxy metabolites and lactams. Longer alkyl chains resulted in keto group and carboxylic acid formation. Comparing these results with published data obtained using pHLM, primary human hepatocytes (PHH), and authentic human urine samples, PHH provided the most extensive metabolism. Second, enzyme kinetic studies showed that the initial metabolic steps were formed by cytochrome P450 isoforms (CYP) CYP1A2, CYP2B6, CYP2C9, CYP2C19, CYP2D6, and CYP3A4 resulting in pyrrolidine, thiophene or alkyl hydroxy metabolites depending on the length of the alkyl chain. The kinetic parameters indicated an increasing affinity of the CYP enzymes with increase of the length of the alkyl chain. These parameters were then used to calculate the contribution of a single CYP enzyme to the in vivo hepatic clearance. CYP2C19 and CYP2D6 were mainly involved in the case of alpha‐PBP and CYP1A2, CYP2C9 and CYP2C19 in the case of alpha‐PVT, alpha‐PHP, alpha‐PEP, and alpha‐POP.
Keratinous matrices for the assessment of drugs of abuse consumption: A correlation study between hair and nails
Authors: Cappelle Delphine , De Keukeleire Steven , Neels Hugo , Been Frederic , De Doncker Mireille , Dom Geert , Crunelle Cleo L. , Covaci Adrian , van Nuijs Alexander L.N. 
Published: January 2018

AbstractKeratinous matrices – hair and nails – accumulate substances over time and allow retrospective investigation of past consumption. Analysis of these matrices can provide information complementary to blood and urine analysis or can be used as standalone. So far, research has primarily focused on the detection of substances in hair, while studies in nails are scarce. In this study, we assessed concentrations of drugs of abuse and their metabolites in hair, fingernails, and toenails collected from the same individuals to evaluate differences and correlations between matrices. A total of 26 hair, 24 fingernail, and 18 toenail samples were collected. Samples were analysed by a validated liquid chromatography–tandem mass spectrometry method able to simultaneously detect the following compounds: amphetamine (AMP), methamphetamine, 3,4‐methylenedioxymethamphetamine (MDMA), 3,4‐methylenedioxyethylamphetamine, morphine (MOR), codeine (COD), 6‐monoacetylmorphine (6‐MAM), methadone (MTD), 2‐ethylidene‐1,5‐dimethyl‐3,3‐diphenylpyrrolidine (EDDP), cocaine (COC), benzoylecgonine (BE), and ecgonine methyl ester (EME). Strong positive correlations between hair, fingernails, and toenails were present for COC, BE, EME, AMP and MDMA. MOR, COD, 6‐MAM, MTD and EDDP showed positive trends. Concentrations were generally higher in nails compared to hair. Ratios between parent compounds and their metabolites were assessed for 6‐MAM/MOR, EDDP/MTD, BE/COC and EME/COC. Preliminary cut‐off concentrations for COC, BE, EME and AMP in fingernails and toenails were proposed. In light of these results, nails can be considered as a useful alternative to hair for monitoring of long‐term drug consumption. However, care should be taken regarding the variability in the accumulation of compounds between the matrices.
Regulators of spindle microtubules and their mechanisms: Living together matters
Authors: Lakshmi R. Bhagya , Nair Vishnu M. , Manna Tapas K. 
Published: January 2018

AbstractDevelopment and survival of all eukaryotic organisms depend on equal partitioning of their chromosomes between the two newly formed daughter cells during mitosis. The mitotic spindle performs the task of physically segregating the chromosomes through multiple stages of mitosis. During this process, kinetochore‐microtubule attachment requires to be selectively stabilized to hold the chromosomes, but at the same time, it has to be flexible enough to allow kinetochore microtubule dynamicity and chromosome movements. Research during the last decade or so has identified a number of proteins associated with the spindle microtubule plus ends that regulate these processes and orchestrate forces to spatially organize and separate the chromosomes. In this review, we describe the molecular details of those regulators and their mechanisms of action at the kinetochore‐microtubule interface. © 2018 IUBMB Life, 70(2):101–111, 2018
Rapid determination of carbendazim in complex matrices by electrospray ionization mass spectrometry with syringe filter needle
Authors: Yang Bi‐cheng , Wan Xi‐di , Yang Xiao , Li Yun‐jun , Zhang Zi‐yu , Wan Xiao‐ju , Luo Yong , Deng Wei , Wang Feng , Huang Ou‐ping 
Published: January 2018

AbstractThe determination of pesticide residues is an indispensable task in controlling food safety and environment protection. Carbendazim is one of the extensive uses of pesticides in the agricultural industry. In this study, a simple method utilizing syringe filter has been applied as electrospray ionization emitter for mass spectrometric identification and quantification of carbendazim in complex matrices including soil, natural water, and fruit juice samples, which contain many insoluble materials. With online syringe filter of the complex samples, most of insoluble materials such as soil were excluded in spray ionization process due to the filter effect, and analytes were subsequently sprayed out from syringe needle for mass spectrometric detection. The pore sizes of filters and diameters of syringe needles also were investigated. The analytical performances, including the linear range (1–200 ng·mL−1), limit of detection (0.2–0.6 ng·mL−1, S/N > 3), limit of quantitation (3.5–8.6 ng·mL−1, S/N > 10), reproducibility (6.4%–12.5%, n = 6), and recoveries (72.1%–91.0%, n = 6) were well acceptable for direct analysis of raw samples. Matrix effect for detection of carbendazim in soil samples also was experimentally investigated. This study demonstrated that syringe filter needle coupled with electrospray ionization mass spectrometry is a simple, efficient, and sensitive method for detection of pesticide residues in water, soil, and fruit juice for risk assessment.
Electrophysiological characteristics of the frontal nerve in patients with herpetic ophthalmic neuralgia
Authors: XU Gang , Zhou Chaosheng , Liu Shasha , Li Wen , Tang Weizhen 
Published: January 2018

ABSTRACTIntroduction: The aim of this study was to explore a method for obtaining sensory nerve action potentials (SNAPs) of the supratrochlear (STN) and supraorbital (SON) nerves and evaluate the function of affected nerves in patients with herpetic ophthalmic neuralgia (HON). Methods: Thirty healthy volunteers and 40 subjects with subacute HON participated in this study. Results: The amplitudes and sensory conduction velocities (SCVs) that predicted HON were identified. The corresponding cutoff values for the amplitudes ranged from 11.10 μV to 12.45 μV. The corresponding cutoff values for the SCVs ranged from 43.14 m/s to 44.64 m/s. SCVs were markedly lower on the affected side compared with healthy volunteers (P < 0.05), and the amplitudes of SNAPs on the affected side were decreased by 36% compared with healthy volunteers (P < 0.05). Discussion: SCVs of STN and SONs can be obtained with the 3‐channel method and used to evaluate myelinated fibers in patients with HON. Muscle Nerve 57: 973–980, 2018
cfDNA screening and diagnosis of monogenic disorders – where are we heading?
Authors: Chiu Eunice Ka Long , Hui Winnie Wai In , Chiu Rossa Wai Kwun 
Published: January 2018

AbstractCell‐free fetal DNA analysis for non‐invasive prenatal screening of fetal chromosomal aneuploidy has been widely adopted for clinical use. Fetal monogenic diseases have also been shown to be amenable to non‐invasive detection by maternal plasma DNA analysis. A number of recent technological developments in this area has increased the level of clinical interest, particularly as one approach does not require customized reagents per mutation. The mutational status of the fetus can be assessed by determining which parental haplotype that fetus has inherited based on the detection of haplotype‐associated SNP alleles in maternal plasma. Such relative haplotype dosage analysis requires the input of the parental haplotype information for interpretation of the fetal inheritance pattern from the maternal plasma DNA data. The parental haplotype information can be obtained by direct means, reducing the need to infer haplotypes using DNA from other family members. The technique also allows the assessment of complex mutations and has multiplexing capabilities where a number of genes and mutations can be assessed at the same time. These advantages allow non‐invasive prenatal diagnosis of fetal monogenic diseases to be much more scalable. These applications may drive the next wave of clinical adoption of cell‐free fetal DNA testing. © 2018 The Authors Prenatal Diagnosis Published by John Wiley & Sons Ltd
Effect of FAK inhibitor VS‐6063 (defactinib) on docetaxel efficacy in prostate cancer
Authors: Lin Hui‐Ming , Lee Brian Y. , Castillo Lesley , Spielman Calan , Grogan Judith , Yeung Nicole K. , Kench James G. , Stricker Phillip D. , Haynes Anne‐Maree , Centenera Margaret M. , Butler Lisa M. , Shreeve S. Martin , Horvath Lisa G. , Daly Roger J. 
Published: January 2018

BackgroundDocetaxel, the standard chemotherapy for metastatic castration‐resistant prostate cancer (CRPC) also enhances the survival of patients with metastatic castration‐sensitive prostate cancer (CSPC) when combined with androgen‐deprivation therapy. Focal Adhesion Kinase (FAK) activation is a mediator of docetaxel resistance in prostate cancer cells. The aim of this study was to investigate the effect of the second generation FAK inhibitor VS‐6063 on docetaxel efficacy in pre‐clinical CRPC and CSPC models.MethodsDocetaxel‐resistant CRPC cells, mice with PC3 xenografts, and ex vivo cultures of patient‐derived primary prostate tumors were treated with VS‐6063 and/or docetaxel, or vehicle control. Cell counting, immunoblotting, and immunohistochemistry techniques were used to evaluate the treatment effects.ResultsDocetaxel and VS‐6063 co‐treatment caused a greater decrease in the viability of docetaxel‐resistant CRPC cells, and a greater inhibition in PC3 xenograft growth compared to either monotherapy. FAK expression in human primary prostate cancer was positively associated with advanced tumor stage. Patient‐derived prostate tumor explants cultured with both docetaxel and VS‐6063 displayed a higher percentage of apoptosis in cancer cells, than monotherapy treatment.ConclusionsOur findings suggest that co‐administration of the FAK inhibitor, VS‐6063, with docetaxel represents a potential therapeutic strategy to overcome docetaxel resistance in prostate cancer.
Fine structure in the hydrogen atom boxed in a spherical impenetrable cavity
Authors: Rojas R. A. , Aquino N. , Flores‐Riveros A. 
Published: January 2018

AbstractThe spectrum of the hydrogen atom confined in a spherical impenetrable box of radius Rc has been investigated by many authors up to date, but not at the level of relativistic corrections. It is well known that, as Rc diminishes, all energy levels and the pressure increase very rapidly, whereas the polarizability goes to zero. In this report, we have computed the relativistic corrections that underlie the fine structure of the confined hydrogen atom, as a function of Rc. Such corrections correspond to relativistic kinetic energy, spin‐orbit coupling and the Darwin term, which are calculated in the frame of time‐independent perturbation theory, for which, use was made of the exact confined hydrogen atom wave functions. We show that for a confinement radius of 0.5 au the relativistic corrections increase up to three orders of magnitude with respect to those corresponding to the free atom. As Rc decreases, the kinetic energy correction and the spin‐orbit coupling for
become negative whereas their absolute value and the Darwin term, which is positive, increase very rapidly.
Lecture on Methylmercury Poisoning in Minamata (MPM)
Authors: Yokoyama Hisashi 
Published: January 2018

AbstractThis chapter outlines the methylmercury poisoning in Minamata (MPM): about the history, symptom pathogenesis, research on the causal agent, and responses of the national and local governments and the responsible company, i.e., Chisso, to the outbreak of MPM. A book written by Nishimura and Okamoto (2001) played an important role to clarify the mechanism of the MPM outbreak. Based on this book and the published data on mercury concentrations of aquatic organisms and newborns’ umbilical cords, how methylmercury generated in the plant, flew into the sea, transferred to aquatic organisms, and was consumed by residents are explained. Victims of MPM, compensation and environmental restructure, and court ruling against this incident are described. Based on lecture notes from a university course, students’ suggestions for avoiding a repeat of the tragedy are also introduced.
Conservative surgery of diffuse adenomyosis with TOUA: Single surgeon experience of one hundred sixteen cases and report of fertility outcomes
Authors: Kwack Jae‐Young , Kwon Yong‐Soon 
Published: January 2018

AbstractThe aim of this study is to evaluate the clinical outcomes of conservative adenomyomectomy with TOUA for diffuse uterine adenomyosis and to determine the feasibility and safety. One hundred and sixteen patients with symptomatic diffuse uterine adenomyosis underwent adenomyomectomy with TOUA by a single surgeon at Ulsan University Hospital between May 2011 and March 2016. Surgical outcomes included operative time, intraoperative injury and operative blood loss. We assessed the degree of improvement in dysmenorrhea and menorrhagia at the 7‐month follow‐up visit after the operation. The mean age of patients was 37.49 years (range: 26–49). The mean total surgical time was 116.12 min (range: 60–300, SD: 37.27). The mean estimated blood loss was 207.22 mL (range: 30–1200, SD: 161.08) and there were no cases of injury to the uterine arteries or pelvic nerves. The mean duration of hospital stay was 5.05 days (range: 4–7, SD: 0.68) and the mean follow‐up period of 16.67 months (range: 6–49, SD: 12.77). At the 7‐month follow‐up after adenomyomectomy with TOUA, dysmenorrhea and menorrhagia were improved in 100% and 89% of the patients, respectively. In patients with diffuse uterine adenomyosis, even when the whole uterus is involved, for relief of severe adenomyosis‐related symptoms, adenomyomectomy with TOUA could be a safe and effective surgical treatment option for those who want to preserve their fertility.