bluuebunny/crossref_metadata_2025_split huggingface dataset:
ChemInform Abstract: COMPOUNDS RELATING TO DIBENZOYLADENINE RIBOSIDE, THE CHOICE BETWEEN THE N(6),1‐DIBENZOYL AND N(6),N(6)‐DIBENZOYL STRUCTURES
Authors: ANZAI KENTARO , MATSUI MASANAO 
Published: March 2016

AbstractAnhand NMR‐spektroskopischer und synthetischer Untersuchungen wird festgestellt, daß Dibenzoylderivate des Adenosins wie (I) und (II) bzw. des Tubercidins wie (III) die angegebene N6, N6‐Diacyl‐ und nicht, wie früher angenommen, eine N6, l‐diacyl‐Struktur aufweisen.
ChemInform Abstract: SOLID PHASE PEPTIDE SYNTHESIS BY OXIDATION‐REDUCTION CONDENSATION, SYNTHESIS OF LH‐RH BY FRAGMENT CONDENSATION ON SOLID SUPPORT
Authors: MATSUEDA REI , MARUYAMA HIROSHI , KITAZAWA EIICHI , TAKAHAGI HIDEKUNI , MUKAIYAMA TERUAKI 
Published: March 2016

AbstractLH‐RH (Luteinisierungshormon freisetzendes Hormon) (X) wird auf zwei Arten der Kettenverlängerung nach angegebenem Schema synthetisiert.
A Two‐Stroke, Two‐Cylinder Piston Rotaxane Motor
Authors: Sevick Edith M. , Williams David R. M. 
Published: March 2016

AbstractWe introduce a model for a rotaxane motor. This uses two major themes of rotaxane physics, that is, the ability to change the potential of different regions of the axle (switching) and the entropy associated with free rings. The motor is based on free rings being trapped and released by potential stripes or stations. We calculate the power produced by such a motor, which is in the femtoWatt range. The power is proportional to the square of the number of rings.
Theoretical Shaping of Femtosecond Laser Pulses for Molecular Photodissociation with Control Techniques Based on Ehrenfest′s Dynamics and Time‐Dependent Density Functional Theory
Authors: Castro Alberto 
Published: March 2016

AbstractThe combination of nonadiabatic Ehrenfest‐path molecular dynamics (EMD) based on time‐dependent density functional theory (TDDFT) and quantum optimal control formalism (QOCT) was used to optimize the shape of ultra‐short laser pulses to achieve photodissociation of a hydrogen molecule and the trihydrogen cation H3+. This work completes a previous one [A. Castro, ChemPhysChem, 2013, 14, 1488–1495], in which the same objective was achieved by demonstrating the combination of QOCT and TDDFT for many‐electron systems on static nuclear potentials. The optimization model, therefore, did not include the nuclear movement and the obtained dissociation mechanism could only be sequential: fast laser‐assisted electronic excitation to nonbonding states (during which the nuclei are considered to be static), followed by field‐free dissociation. Here, in contrast, the optimization was performed with the QOCT constructed on top of the full dynamic model comprised of both electrons and nuclei, as described within EMD based on TDDFT. This is the first numerical demonstration of an optimal control formalism for a hybrid quantum–classical model, that is, a molecular dynamics method.
Quantitative Characterization of Configurational Space Sampled by HIV‐1 Nucleocapsid Using Solution NMR, X‐ray Scattering and Protein Engineering
Authors: Deshmukh Lalit , Schwieters Charles D. , Grishaev Alexander , Clore G. Marius 
Published: March 2016

AbstractNucleic‐acid‐related events in the HIV‐1 replication cycle are mediated by nucleocapsid, a small protein comprising two zinc knuckles connected by a short flexible linker and flanked by disordered termini. Combining experimental NMR residual dipolar couplings, solution X‐ray scattering and protein engineering with ensemble simulated annealing, we obtain a quantitative description of the configurational space sampled by the two zinc knuckles, the linker and disordered termini in the absence of nucleic acids. We first compute the conformational ensemble (with an optimal size of three members) of an engineered nucleocapsid construct lacking the N‐ and C‐termini that satisfies the experimental restraints, and then validate this ensemble, as well as characterize the disordered termini, using the experimental data from the full‐length nucleocapsid construct. The experimental and computational strategy is generally applicable to multidomain proteins. Differential flexibility within the linker results in asymmetric motion of the zinc knuckles which may explain their functionally distinct roles despite high sequence identity. One of the configurations (populated at a level of ≈40 %) closely resembles that observed in various ligand‐bound forms, providing evidence for conformational selection and a mechanistic link between protein dynamics and function.
Theoretical Investigation of the Effect of N Substitution in C^N and N^N Heteroaromatic Ligands on the Photophysical Properties of Two Series of Iridium(III) Carbene Complexes
Authors: Shang Xiaohong , Han Deming , Zhang Huiying , Zhou Ling , Zhang Gang 
Published: March 2016

AbstractA DFT/TDDFT investigation has been conducted on two series of cyclometalated iridium(III) complexes to shed light on the effects of structure and steric factors on the photophysical properties. The results reveal that the nature of the N substitution can influence the electron density distributions of the frontier molecular orbitals and their energies, resulting in a change in transition character and emission color. The absorption spectra of the complexes are similar to each other, with2a–5aand2b–5bpresenting a slight redshift compared with their parent complexes. Again, on the basis of the calculations, the higher radiative rate constants (kr) of1a–5awith respect to1b–5bcan be explained by a larger metal contribution to the excited states (MLCT%) and larger S0–S1transition electric dipole moments (µ).
Advances in Annulation Reactions Initiated by Phosphorus Ylides Generated in situ
Authors: Zhou Rong , He Zhengjie 
Published: March 2016

AbstractOver the past two decades, the rapid development of nucleophilic phosphane catalysis has transported phosphorus ylide chemistry into an area beyond olefination. Phosphorus ylides generated in situ on nucleophilic addition of phosphanes to electrophilic unsaturated species, followed by some necessary proton‐transfer steps, have effected many powerful annulation reactions to construct carbo‐ and heterocycles with multifarious molecular architectures under mild conditions from readily available starting materials. By judicious choice of the nucleophilic phosphanes, efficient ylide annulation reactions with good control over reaction selectivity can be achieved. In this microreview, recent advances in annulation reactions initiated by phosphorus ylides generated in situ are summarized according to the sources of the phosphorus ylides.
MoV Reagents in Organic Synthesis
Authors: Schubert Moritz , Waldvogel Siegfried R. 
Published: March 2016

AbstractThe use of MoV reagents, and in particular MoCl5, in organic synthesis is surveyed. The oxidative treatment of aromatic substrates is the most common application. The unique properties of these reagents are due to their high oxidative power combined with exquisite Lewis acid properties. In several examples MoV reagents outperform other common oxidative coupling reagents. C–C bond formation through inter‐ and intramolecular oxidative coupling can lead to selective formation of five‐ to eight‐membered ring systems. Mechanistic investigations of the courses of reactions involving MoV reagents and aromatic substrates indicate that radical cations are initially formed, entering the oxidative coupling scenery. Mechanistic studies reveal that Scholl‐type conversion is unlikely. However, over‐oxidation of the product seems to be the rationale for the selective conversion. Reduction occurs during workup, through the action of the lower‐valency molybdenum salts present. This opens up the pathway to oxidative domino sequences. MoCl5 has already been used in the key steps of the syntheses of several natural products or their analogues. In addition, MoCl5 can serve in chlorination reactions and in stereoselective isomerization by template formation, and also as a precursor for alkyne trimerization.
Synthesis of Hetero‐bifunctional Azobenzene Glycoconjugates for Bioorthogonal Cross‐Linking of Proteins
Authors: Müller Anne , Lindhorst Thisbe K. 
Published: March 2016

AbstractModification of proteins with azobenzene derivatives allows their form and function to be controlled by photochemical E/Z isomerization of the azobenzene N=N bond. Because azobenzene glycoconjugates (ABGs) are particularly promising cross‐linkers for the modification of peptides and proteins, we advanced the collection of so far known homo‐bifunctional ABGs with the synthesis of hitherto unknown hetero‐bifunctionalized ABGs. Alkyne and alkene, alkyne and sulfhydryl, and azido and alkene functions were combined in one molecule to serve as bioorthogonal reaction pairs. With this, access to a multitude of photosensitive proteins is provided.
Methyl Parathion Degrading Enzyme‐based Nano‐hybrid Biosensor for Enhanced Methyl Parathion Recognition
Authors: Ye Haixia , Guo Zhenzhong , Peng Min , Cai Chunyan , Chen Yong , Cao Yiping , Zhang Weiying 
Published: March 2016

AbstractEnzyme‐based electrochemical biosensors with sufficient sensing specificity are useful analytical tools for detection of biologically important substances in complicated systems. Here, we present the design of a nano‐hybrid biosensor for the specific and sensitive detection of methyl parathion (MP). The nano‐hybrid sensing film was prepared via the formation of Au nanoparticals (AuNPs) on silica nanoparticles (SiNPs), mixing with multiwall carbon nanotube (MWNTs) and subsequent immobilization of methyl parathion degrading enzyme (MPD). The fabrication procedure was characterized by scanning electron images, linear scan voltammetry and electrochemical impedance spectroscopy. The combined MPD exhibited high affinity to it substrate and thus a selective, sensitive, fast and cheap method for determination of MP, quantitatively was proposed. A significant synergistic effect of nano‐hybrid on the biosensor performance was observed in biosensing MP. The square wave voltammetric responses displayed well defined peaks, linearly proportional to the concentration of MP in the range from 0.001 to 5.0 μg/mL with a detection limit of 0.3 ng/mL. The proposed biosensor also showed good precision and reproducibility, acceptable stability and accuracy in garlic samples analysis. It provided a platform for the simple and fast construction of biosensors with good performance for the determination of enzyme‐specific electroactive species.
Proximity Ligation Assay‐induced Structure‐switching Hairpin DNA toward Development of Electrochemical Immunosensor
Authors: Lu Minghua , Tang Dianping 
Published: March 2016

AbstractA novel electrochemical immunosensor was designed for sensitive detection of mycotoxins (aflatoxin B1, AFB1, used in this case) by coupling proximity ligation assay‐induced conformation switch of hairpin DNA with the antigen‐antibody reaction. The assay was carried out by anti‐AFB1 antibody‐conjugated DNA1 (mAb‐DNA1), AFB1‐BSA‐labeled DNA2 (AFB1‐DNA2) and hairpin DNA. Each hairpin included a stem of 6 base pairs and a 6 nucleotide (nt) loop with the labelled ferrocene tag at the 3′ end, which was immobilized on the electrode via self‐assembly of the terminal thiol moiety at the 5′ end. The proximity ligation assay was carried out via the specific antigen‐antibody reaction between mAb‐DNA1 and AFB1‐DNA2 to form an omega‐like DNA junction. Thereafter, the junction hybridized with hairpin DNA to open the probe, thus resulting in the ferrocene tag far away from the electrode for the decreasing of the redox current. Upon target AFB1 introduction, the competitive‐type immunoassay was executed between the analyte and AFB1‐DNA2 for mAb‐DNA1. Under the optimal conditions, the electrochemical signal was indirectly proportional to target AFB1 concentration, and allowed the detection of target AFB1 at a concentration as low as 3.2 pg mL−1. Our strategy also exhibited high selectivity, good reproducibility and precision. Importantly, the accuracy of this methodology was validated for analysis of spiked or naturally contaminated peanut samples, giving results matched well with those obtained from commercialized available AFB1 ELISA kit.
Fiber bragg grating sensor based device for simultaneous measurement of respiratory and cardiac activities
Authors: Chethana K. , Guru Prasad A. S. , Omkar S. N. , Asokan S. 
Published: March 2016

This paper reports a novel optical ballistocardiography technique, which is non‐invasive, for the simultaneous measurement of cardiac and respiratory activities using a Fiber Bragg Grating Heart Beat Device (FBGHBD). The unique design of FBGHBD offers additional capabilities such as monitoring nascent morphology of cardiac and breathing activity, heart rate variability, heart beat rhythm, etc., which can assist in early clinical diagnosis of many conditions associated with heart and lung malfunctioning. The results obtained from the FBGHBD positioned around the pulmonic area on the chest have been evaluated against an electronic stethoscope which detects and records sound pulses originated from the cardiac activity.In order to evaluate the performance of the FBGHBD, quantitative and qualitative studies have been carried out and the results are found to be reliable and accurate, validating its potential as a standalone medical diagnostic device. The developed FBGHBD is simple in design, robust, portable, EMI proof, shock proof and non‐electric in its operation which are desired features for any clinical diagnostic tool used in hospital environment.
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A Crosstalk Between K ras (Kirsten Rat Sarcoma Viral Oncogene Homologue) and Adherence Molecular Complex Leads to Disassociation of Cells—A Possible Contribution Towards Metastasis in Colorectal Cancer
Authors: Murtaza Bibi Nazia , Doak Shareen , Morgan Claire , Nadeem Muhammad Shahid , Al‐Ghanim Khalid A. , Shakoori Abdul Rauf 
Published: March 2016

ABSTRACTConstitutive activation of mutant K ras (Kirsten rat sarcoma viral oncogene homologue) and disassembly of E‐cadherin–catenin complex (E‐cadherin, α‐catenin, β‐catenin, and γ‐catenin) play an important role in apoptosis, differentiation, and cell proliferation. In this study, the expression pattern of K ras and E‐cadherin–catenin complex has been evaluated in normal and mutant colorectal cancer cell lines with an object to determine its impact on disassociation of cells from one another. We addressed the expression analysis of K ras with reference to its association with adherence molecules in two colorectal cancer cell lines, that is, Caco‐2 (wild type K ras served as a control) and DLD1 (heterozygous mutation at codon 13) at message level by qRT‐PCR and translational level by western blotting. Compared to the control Caco‐2 cell lines, the K ras in DLD1 cell lines showed slightly higher values while α‐catenin showed a slight lower (1.3‐folds), β‐catenin and E‐cadherin showed significantly lower expression (4.2‐fold decrease). It can be inferred that a possible cross talk exists between K ras and adherent junction mediated signalling. Mutation at codon 13 (G to D) leads to the overexpression of K ras and reduced expression of adherent junction complex resulting in metastasis. J. Cell. Biochem. 117: 2340–2345, 2016. © 2016 Wiley Periodicals, Inc.
Single institution outcomes in the first 3 years of pancreas transplantation from brain dead donors
Authors: Ito Taihei , Kenmochi Takashi , Ono Shinichiro , Oshima Minoru , Aida Naohiro , Suzuki Atsushi , Hasegawa Midori , Kusaka Mamoru , Hoshinaga Kiyotaka 
Published: March 2016

AbstractBackgroundA total of 26 pancreas transplants from brain dead donors, including 21 simultaneous pancreas and kidney (SPK) transplantation procedures, have been performed at Fujita Health University Hospital since the new pancreas transplant program was initiated in August 2012. The objective of this study is to investigate the outcomes of pancreatic transplantation in our facility in first 3 years of the program.MethodsThe background characteristics of the donors and the outcomes of 26 pancreas transplant recipients were analyzed.ResultsThe mean age of the recipients was 44.0 years, and all recipients had a long‐term history of diabetes (mean: 30.2 years). In the SPK cases, the patients also had a long history of hemodialysis (mean: 6.3 years). Although the average donor age was 41.0 years and more than half of the donors were marginal donors (defined according to Kapur's criteria and Troppmann's criteria), the patient survival and pancreatic graft survival rates were 100% and 91.7%, respectively. Unfortunately, two recipients experienced graft failure due to graft thrombosis, which resulted in graft loss.ConclusionsThe new pancreas transplant program at Fujita Health University has provided excellent outcomes for patients with type 1 diabetes.
Spatial and temporal variability of precipitation over the Mediterranean Basin based on 32‐year satellite Global Precipitation Climatology Project data, part I: evaluation and climatological patterns
Authors: Hatzianastassiou Nikolaos , Papadimas Christos D. , Lolis Christos J. , Bartzokas Aristides , Levizzani Vincenzo , Pnevmatikos John D. , Katsoulis Basil D. 
Published: March 2016

ABSTRACTThe precipitation regime over the Mediterranean basin is investigated for the period 1979–2010 using monthly mean satellite data from the Global Precipitation Climatology Project (GPCPv2). The results show that a clear contrast exists between the more rainy northern part of the study region (Southern Europe) and the drier southern area (North Africa, Iberian Peninsula) and between the western sides (rainsides) of the Iberian, Italian and Balkan peninsulas and their eastern sides (rainshadows). The mean annual precipitation averaged over the study area is P = 593 ± 203 mm year−1, but it has a strong spatial variability ranging from 20 mm year−1 (North Africa) to 1500 mm year−1 (Alps). A significant seasonal variability exists, with the early winter and late autumn months (November and December) being the wettest with precipitation amounts larger than 60 mm month−1. The GPCPv2 satellite precipitation data are satisfactorily correlated with rain gauge measurements from 433 stations within the study area (correlation coefficient R = 0.78 for all stations on a yearly basis, with values ranging between 0.72 and 0.82, depending on the season) with a slight overestimation. They also compare well with the higher spatial and temporal resolution Tropical Rainfall Measuring Mission (TRMM) data, which supports the validity of the present study.
Associations of radiographic degeneration and pain with daily cumulative hip loading in patients with secondary hip osteoarthritis
Authors: Tateuchi Hiroshige , Koyama Yumiko , Tsukagoshi Rui , Akiyama Haruhiko , Goto Koji , So Kazutaka , Kuroda Yutaka , Ichihashi Noriaki 
Published: March 2016

ABSTRACTThe purpose of this study was to investigate the associations of radiographic and clinical variables of hip osteoarthritis (OA) with alterations in gait and joint loading in patients with secondary hip OA. Fifty females with secondary hip OA were participated. The minimum joint space width (mJSW) of the hip as a degenerative sign and Sharp and center edge (CE) angles as morphological variables were measured radiographically. Hip joint pain was assessed using a visual analog scale. As gait variables, walking speed, range of hip motion, hip moment peak, and hip moment impulse were calculated. Daily cumulative hip loading was calculated as the hip moment impulse multiplied by the mean number of steps per day. After bivariate correlation analyses between dependent (mJSW and pain) and independent variables (age, body mass index, sharp/CE angles, steps per day, and gait variables), separate forward‐backward stepwise multiple regression analyses were performed for each dependent variable. Daily cumulative hip loading in the sagittal plane (β = 0.30, p = 0.021) and age (β = −0.36, p = 0.007) were significantly associated with the mJSW. Walking speed (β = −0.36, p = 0.008) and age (β = 0.29, p = 0.031) were significantly associated with hip joint pain. Decrease in daily cumulative hip loading in the sagittal plane was associated with mJSW independently of age. Although the causal relationship was not clear, patients with hip OA reduced total exposure to hip joint loading adaptively rather than lowering the hip moment peak concerning worsening of hip degeneration. © 2016 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 34:1977–1983, 2016.
Maternal oral administration of osteocalcin protects offspring from metabolic impairment in adulthood
Authors: Kawakubo‐Yasukochi Tomoyo , Kondo Akihiko , Mizokami Akiko , Hayashi Yoshikazu , Chishaki Sakura , Nakamura Seiji , Takeuchi Hiroshi , Hirata Masato 
Published: March 2016

ObjectiveMaternal diet during pregnancy has been found to influence the health of offspring. However, strategies for modulation of maternal energy metabolism without an adverse effect on the fetus have remained limited. It was recently shown that oral administration of uncarboxylated osteocalcin (GluOC) improves metabolic status in adult female mice. Whether maternal GluOC administration during gestation might improve the metabolic status of offspring was investigated.MethodsFemale C57BL/6 mice were fed a normal diet (ND) or high‐fat, high‐sucrose diet (HFS) and were given saline or GluOC by oral administration during pregnancy. The resulting offspring were in turn assigned to ND‐ or HFS‐fed groups immediately after weaning, and their body weight, glucose metabolism, serum lipid parameters, and level of adipose tissue inflammation were subsequently assessed.ResultsMaternal HFS feeding during gestation had adverse effects on glucose and lipid parameters, body weight, and adipose tissue inflammation in female offspring fed the same diet, and these effects were attenuated by maternal oral GluOC administration.ConclusionsMaternal oral administration of GluOC protects HFS‐fed female offspring from metabolic disorders induced by maternal obesity.
Energy‐dependent effects of resveratrol in Saccharomyces cerevisiae
Authors: Madrigal‐Perez Luis Alberto , Canizal‐Garcia Melina , González‐Hernández Juan Carlos , Reynoso‐Camacho Rosalia , Nava Gerardo M. , Ramos‐Gomez Minerva 
Published: March 2016

AbstractThe metabolic effects induced by resveratrol have been associated mainly with the consumption of high‐calorie diets; however, its effects with standard or low‐calorie diets remain unclear. To better understand the interactions between resveratrol and cellular energy levels, we used Saccharomyces cerevisiae as a model. Herein it is shown that resveratrol: (a) decreased cell viability in an energy‐dependent manner; (b) lessening of cell viability occurred specifically when cells were under cellular respiration; and (c) inhibition of oxygen consumption in state 4 occurred at low and standard energy levels, whereas at high energy levels oxygen consumption was promoted. These findings indicate that the effects of resveratrol are dependent on the cellular energy status and linked to metabolic respiration. Importantly, our study also revealed that S. cerevisiae is a suitable and useful model to elucidate the molecular targets of resveratrol under different nutritional statuses. Copyright © 2016 John Wiley & Sons, Ltd.