bluuebunny/crossref_metadata_2025 huggingface dataset:
Interbirth intervals in wild baboons: Environmental predictors and hormonal correlates
Authors: Gesquiere Laurence R. , Altmann Jeanne , Archie Elizabeth A. , Alberts Susan C.
Published: February 2018

Objectives

Interbirth intervals (IBIs) are a key metric of female reproductive success; understanding how they are regulated by environmental, social, and demographic factors can provide insight into sources of variance in female fitness.

Materials and Methods

Using 36 years of reproductive data on 490 IBIs for 160 wild female baboons, we identified sources of variance in the duration of IBIs and of their component phases: postpartum amenorrhea (PPA), sexual cycling, and pregnancy. We also examined how body fat and fecal hormone concentrations varied during female IBIs.

Results

We found that IBIs tended to be shorter (reproduction was accelerated) when female traits and environmental variables promoted energy acquisition, but with different specific effects for different component phases of the IBI. We also found that females lost a substantial amount of body fat during PPA, indicating that PPA imposes accumulating energetic costs as it progresses. Prior to cycle resumption females began to regain body fat; body fat was stable across the cycling phase and increased throughout most of pregnancy. However, body fat scores per se were not associated with the duration of any of the component phases. Finally, we found that fecal glucocorticoid concentrations decreased as PPA progressed, suggesting a decline in energetic stress over this phase. Fecal progestogen and estrogen concentrations changed over time during sexual cycling; the direction of these changes depended on the phase of the sexual cycle (luteal versus early or late follicular phases).

Discussion

Our study lends insight into the energetic constraints on female primate reproduction, revealing how female environments, changes in body fat, and steroid hormone concentrations relate to IBI duration and to reproductive readiness.
Dentine morphology of Atapuerca‐Sima de los Huesos lower molars: Evolutionary implications through three‐dimensional geometric morphometric analysis
Authors: Hanegraef Hester , Martinón‐Torres María , Martínez de Pinillos Marina , Martín‐Francés Laura , Vialet Amélie , Arsuaga Juan Luis , Bermúdez de Castro José María
Published: February 2018

Objectives

This study aims to explore the affinities of the Sima de los Huesos (SH) population in relation to Homo neanderthalensis, Arago, and early and contemporary Homo sapiens. By characterizing SH intra‐population variation, we test current models to explain the Neanderthal origins.

Materials and Methods

Three‐dimensional reconstructions of dentine surfaces of lower first and second molars were produced by micro‐computed tomography. Landmarks and sliding semilandmarks were subjected to generalized Procrustes analysis and principal components analysis.

Results

SH is often similar in shape to Neanderthals, and both groups are generally discernible from Homo sapiens. For example, the crown height of SH and Neanderthals is lower than for modern humans. Differences in the presence of a mid‐trigonid crest are also observed, with contemporary Homo sapiens usually lacking this feature. Although SH and Neanderthals show strong affinities, they can be discriminated based on certain traits. SH individuals are characterized by a lower intra‐population variability, and show a derived dental reduction in lower second molars compared to Neanderthals. SH also differs in morphological features from specimens that are often classified as Homo heidelbergensis, such as a lower crown height and less pronounced mid‐trigonid crest in the Arago fossils.

Discussion

Our results are compatible with the idea that multiple evolutionary lineages or populations coexisted in Europe during the Middle Pleistocene, with the SH paradigm phylogenetically closer to Homo neanderthalensis. Further research could support the possibility of SH as a separate taxon. Alternatively, SH could be a subspecies of Neanderthals, with the variability of this clade being remarkably higher than previously thought.
Eco‐geographic adaptations in the human ribcage throughout a 3D geometric morphometric approach
Authors: García‐Martínez Daniel , Nalla Shahed , Ferreira Maria Teresa , Guichón Ricardo A. , D'Angelo del Campo Manuel D. , Bastir Markus
Published: February 2018

Objectives

According to eco‐geographic rules, humans from high latitude areas present larger and wider trunks than their low‐latitude areas counterparts. This issue has been traditionally addressed on the pelvis but information on the thorax is largely lacking. We test whether ribcages are larger in individuals inhabiting high latitudes than in those from low latitudes and explored the correlation of rib size with latitude. We also test whether a common morphological pattern is exhibited in the thorax of different cold‐adapted populations, contributing to their hypothetical widening of the trunk.

Materials and methods

We used 3D geometric morphometrics to quantify rib morphology of three hypothetically cold‐adapted populations, viz. Greenland (11 individuals), Alaskan Inuit (8 individuals) and people from Tierra del Fuego (8 individuals), in a comparative framework with European (Spain, Portugal and Austria; 24 individuals) and African populations (South African and sub‐Saharan African; 20 individuals).

Results

Populations inhabiting high latitudes present longer ribs than individuals inhabiting areas closer to the equator, but a correlation (p < 0.05) between costal size and latitude is only found in ribs 7–11. Regarding shape, the only cold adapted population that was different from the non‐cold‐adapted populations were the Greenland Inuit, who presented ribs with less curvature and torsion.

Conclusions

Size results from the lower ribcage are consistent with the hypothesis of larger trunks in cold‐adapted populations. The fact that only Greenland Inuit present a differential morphological pattern, linked to a widening of their ribcage, could be caused by differences in latitude. However, other factors such as genetic drift or specific cultural adaptations cannot be excluded and should be tested in future studies.
Semiconducting Polymer Nanoenzymes with Photothermic Activity for Enhanced Cancer Therapy
Authors: Li Jingchao , Xie Chen , Huang Jiaguo , Jiang Yuyan , Miao Qingqing , Pu Kanyi
Published: February 2018

Regulation of enzyme activity is fundamentally challenging but practically meaningful for biology and medicine. However, noninvasive remote control of enzyme activity in living systems has been rarely demonstrated and exploited for therapy. Herein, we synthesize a semiconducting polymer nanoenzyme with photothermic activity for enhanced cancer therapy. Upon near‐infrared (NIR) light irradiation, the activity of the nanoenzyme can be enhanced by 3.5‐fold to efficiently digest collagen in the tumor extracellular matrix (ECM), leading to enhanced nanoparticle accumulation in tumors and consequently improved photothermal therapy (PTT). This study thus provides a promising strategy to remotely regulate enzyme activity for cancer therapy.
Highly Enantioselective Tandem Michael Addition of Tryptamine‐Derived Oxindoles to Alkynones: Concise Synthesis of Strychnos Alkaloids
Authors: He Weigang , Hu Jiadong , Wang Pengyan , Chen Le , Ji Kai , Yang Siyu , Li Yin , Xie Zhilong , Xie Weiqing
Published: February 2018

A highly enantioselective tandem Michael addition of tryptamine‐derived oxindoles to alkynones was developed by taking advantage of a chiral N,N′‐dioxide Sc(OTf)3 catalyst. The reaction enables the facile preparation of enantioenriched spiro[pyrrolidine‐3,3′‐oxindole] compounds, which provides a novel strategy for the synthesis of monoterpenoid indole alkaloids. As a demonstration, the asymmetric synthesis of strychnos alkaloids [(−)‐tubifoline, (−)‐tubifolidine, (−)‐dehydrotubifoline] was achieved in 10–11 steps.
Polymer complexes. LXX. Synthesis, spectroscopic studies, thermal properties and antimicrobial activity of metal(II) polymer complexes
Authors: Morgan Sh. M. , El‐Sonbati A. Z. , El‐Mogazy M. A.
Published: February 2018

The monomer 3‐allyl‐5‐(phenylazo)‐2‐thioxothiazolidine‐4‐one (HL) was prepared by the reaction of allyl rhodanine with aniline through diazo‐coupling reaction. Reaction of HL with Ni(II) or Co(II) salts gave polymer complexes (1–8) with general stoichiometries [M(HL)(Cl)2(OH2)2]n, [M(HL)(O2SO2)(OH2)2]n, [M(L)(O2NO)(H2O)2]n and [M(L)(O2CCH3)(H2O)2]n (where M = Ni(II) or Co(II)). The structures of the polymer complexes were identified using elemental analysis, infrared and electronic spectra, molar conductance, magnetic susceptibility, X‐ray diffraction and thermogravimetric analysis. The interaction between the polymer complexes and calf thymus DNA showed a hypochromism effect. HL and its polymer complexes were tested against bacterial and fungal species. Co(II) polymer complex 2 is the most effective against Klebsiella pneumoniae and is more active than penicillin. The results showed that Ni(II) polymer complex 5 is a good antibacterial agent against Staphylococcus aureus and Pseudomonas aeruginosa. Molecular docking was used to predict the binding between the monomer with the receptors of prostate cancer (PDB code: 2Q7L Hormone) and breast cancer (PDB code: 1JNX Gene regulation). Coats–Redfern and Horowitz–Metzger methods were applied for calculating the thermodynamic parameters of HL and its polymer complexes. The thermal activation energy of decomposition for HL is higher than that for the polymer complexes.
Highly efficient AgNO3‐catalyzed approach to 2‐(benzo[d]azol‐2‐yl)phenols from salicylaldehydes with 2‐aminothiophenol, 2‐aminophenol and benzene‐1,2‐diamine
Authors: He Xinwei , Wu Yuhao , Jin Wenjing , Wang Xiaoshun , Wu Cong , Shang Yongjia
Published: February 2018

A new, convenient and efficient AgNO3‐catalyzed strategy for the preparation of 2‐(benzo[d]azol‐2‐yl)phenol derivatives in good to excellent yields (63–98%) is described. The reaction proceeds via condensation/intramolecular nucleophilic addition/oxidation process between substituted salicylaldehydes and 2‐aminothiophenol, 2‐aminophenol or benzene‐1,2‐diamine under mild reaction conditions. Notably, this reaction utilizes cheap AgNO3 as a readily available and low‐cost benign oxidant at low catalyst loadings with excellent functional group tolerance.
Preparation of BiVO4/MIL‐125(Ti) composite with enhanced visible‐light photocatalytic activity for dye degradation
Authors: Yang Zhiquan , Ding Jie , Feng Jinna , He Chong , Li Ying , Tong Xiaowen , Niu Xiaojun , Zhang Hongguo
Published: February 2018

Because of their desired features, including very specific surface areas and designable framework architecture together with their possibility to be functionalized, Metal Framework (MOF) is a promising platform for supporting varied materials in respect of catalytic applications in water treatment. In this work, a novel visible‐light‐responsive photocatalyst that comprised BiVO4 together with MIL‐125(Ti), was synthesized by a two‐step hydrothermal approach. The characterization of as‐obtained samples as performed by X‐ray diffraction, scanning electron microscopy, high resolution transmission electron microscopy, Fourier transform infrared spectroscope, X‐ray photoelectron spectroscopy and ultraviolet‐visible diffuse reflection spectra. Rhodamine B was selected being a target for the evaluation of the photocatalytic function of as‐developed photocatalyst. The photocatalytic reaction parameters, for example, the content of BiVO4 as well as initial concentration of Rhodamine B was researched. The composite photocatalyst possessing Bi:Ti molar ratio of 3:2 brought to light the fact that the greatest photocatalytic activity had the ability to degrade 92% of Rhodamine B in 180 min. In addition to that, the BiVO4/MIL‐125(Ti) composite could keep its photocatalytic activity during the recycling test. The phenomenon of disintegration of the photo‐generated charges in the BiVO4/MIL‐125(Ti) composite was brought to discussion as well.
Innervation of the Long Head of the Triceps Brachii in Humans—A Fresh Look
Authors: Wade Michael D. , McDowell Arthur R. , Ziermann Janine M.
Published: February 2018

The triceps brachii muscle occupies the posterior compartment of the arm in humans and has three heads. The lateral and medial heads originate from the humerus and the long head arises from the infraglenoid tubercle of the scapula. All heads form a common tendon that inserts onto the olecranon and the deep antebrachial fascia on each side of it. Each head receives its own motor branch, which all are thought to originate from the radial nerve. However, several studies reported that the motor branch of the long head of the triceps (LHT) arises from the axillary nerve or the posterior cord. Here, we dissected 27 triceps in 15 cadavers to analyze the innervation of the LHT and found only radial innervation, which contradicts those studies. We examined studies reporting that the motor branch to the LHT in humans does not arise from the radial nerve as well as studies of the triceps in primates. Occasional variations of the innervation of skeletal muscles are normal, but a change of principal motor innervation from radial to axillary nerve has important implications. This is because the axillary nerve is often involved during shoulder injuries. The precise identification of the prevalence of axillary versus radial innervation is therefore clinically relevant for surgery, nerve drafting, and occupational and physical therapy. We conclude that the primary motor branch to the LHT arises from the radial nerve but axillary/posterior cord innervations occur occasionally. We suggest the development of a standard methodology for further studies. Anat Rec, 301:473–483, 2018. © 2018 Wiley Periodicals, Inc.
Why Do Knuckle‐Walking African Apes Knuckle‐Walk?
Authors: Simpson Scott W. , Latimer Bruce , Lovejoy C. Owen
Published: February 2018

Among living mammals, only the African apes and some anteaters adopt knuckle‐walking as their primary locomotor behavior. That Pan and Gorilla both knuckle‐walk has been cited as evidence of their common ancestry and a primitive condition for a combined Homo, Pan, and Gorilla clade. Recent research on forelimb ontogeny and anatomy, in addition to recently described hominin fossils, indicate that knuckle‐walking was independently acquired after divergence of the Pan and Gorilla lineages. Although the large‐bodied, largely suspensory orangutan shares some aspects of the African ape bauplan, it does not regularly knuckle‐walk when terrestrial. While many anatomical correlates of knuckle‐walking have been identified, a functional explanation of this unusual locomotor pattern has yet to be proposed. Here, we argue that it was adopted by African apes as a means of ameliorating the consequences of repetitive impact loadings on the soft and hard tissues of the forelimb by employing isometric and/or eccentric contraction of antebrachial musculature during terrestrial locomotion. Evidence of this adaptation can be found in the differential size and fiber geometry of the forearm musculature, and differences in torso shape between the knuckle‐walking and non‐knuckle‐walking apes (including humans). We also argue that some osteological features of the carpus and metacarpus that have been identified as adaptations to knuckle‐walking are consequences of cartilage remodeling during ontogeny rather than traits limiting motion in the hand and wrist. An understanding of the functional basis of knuckle‐walking provides an explanation of the locomotor parallelisms in modern Pan and Gorilla. Anat Rec, 301:496–514, 2018. © 2018 Wiley Periodicals, Inc.
Mouse Hind Limb Skeletal Muscle Functional Adaptation in a Simulated Fine Branch Arboreal Habitat
Authors: Rupert Joseph E. , Joll J. Ethan , Elkhatib Wiaam Y. , Organ Jason M.
Published: February 2018

The musculoskeletal system is remarkably plastic during growth. The purpose of this study was to examine the muscular plasticity in functional and structural properties in a model known to result in significant developmental plasticity of the postcranial skeleton. Fifteen weanling C57BL/6 mice were raised to 16 weeks of age in one of two enclosures: a climbing enclosure that simulates a fine branch arboreal habitat and is traversed by steel wires crossing at 45° relative to horizontal at multiple intersections, and a control enclosure that resembles a parking deck with no wires but the same volume of habitable space. At killing, ex vivo contractility properties of the soleus (SOL) and extensor digitorum longus (EDL) muscles were examined. Our results demonstrate that EDL muscles of climbing mice contracted with higher specific forces and were comprised of muscle fibers with slower myosin heavy chain isoforms. EDL muscles also fatigued at a higher rate in climbing mice compared to controls. SOL muscle function is not affected by the climbing environment. Likewise, mass and architecture of both EDL and SOL muscles were not different between climbing and control mice. Our data demonstrate that functional adaptation does not require concomitant architectural adaptation in order to increase contractile force. Anat Rec, 301:434–440, 2018. © 2018 Wiley Periodicals, Inc.
Leg Muscle Architecture in Primates and Its Correlation with Locomotion Patterns
Authors: Marchi Damiano , Leischner Carissa L. , Pastor Francisco , Hartstone‐Rose Adam
Published: February 2018

Bone biomechanical studies indicate that leg bone structure can be related to different locomotor patterns. The osteological correlates of extant primates’ locomotion patterns and substrate use are important to consider when estimating corresponding behaviors of extinct primates. Here, we test if these same patterns are seen in the differences in leg muscular architecture. Muscle mass, fascicle lengths (FL), physiological cross‐sectional area (PCSA), reduced PCSA (RPCSA) and tendon‐to‐muscle belly ratio were studied in 33 primate species (6 strepsirrhines, 14 platyrrhines and 13 catarrhines). Muscles were grouped into toe and ankle flexors and extensors and studied for phylogenetic and functional signals. All variables strongly correlate with body mass: strength variables (mass, PCSA and RPCSA) scale with positive allometry, whereas the speed/stretch measure (FL) trend toward negative allometry. Thus, larger primates are relatively stronger than smaller species, but they have relatively shorter leg muscle fibers than smaller primates. The strongest functional signal emerged when comparing belly‐muscle tendon unit (MTU) length ratio in leaping and non‐leaping primates. Leapers show significantly smaller plantarflexor belly‐MTU ratio. Surprisingly, no significant results reflect a correlation between muscle architecture and substrate and locomotor groups. However, several trends suggest that a larger sample and more fine‐grained defined categories could produce significant results. These results show the complex relation between leg bone biomechanics and muscle architecture and demand for further studies on this topic. Anat Rec, 301:515–527, 2018. © 2018 Wiley Periodicals, Inc.
How the Brain May Have Shaped Muscle Anatomy and Physiology: A Preliminary Study
Authors: Muchlinski Magdalena N. , Hemingway Holden W. , Pastor Juan , Omstead Kailey M. , Burrows Anne M.
Published: February 2018

Skeletal muscle fibers are often used to evaluate functional differences in locomotion. However, because there are energetic differences among muscle fiber cells, muscle fiber composition could be used to address evolutionary questions about energetics. Skeletal muscle is composed of two main types of fibers: Type I and II. The difference between the two can be reduced to how these muscle cells use oxygen and glucose. Type I fibers convert glucose to ATP using oxygen, while Type II fibers rely primarily on anaerobic metabolic processes. The expensive tissue hypothesis (ETH) proposes that the energetic demands imposed on the body by the brain result in a reduction in other expensive tissues (e.g., gastrointestinal tract). The original ETH dismisses the energetic demands of skeletal muscle, despite skeletal muscle being (1) an expensive tissue when active and (2) in direct competition for glucose with the brain. Based on these observations we hypothesize that larger brained primates will have relatively less muscle mass and a decrease in Type I fibers. As part of a larger study to test this hypothesis, we present data from 10 species of primates. We collected body mass, muscle mass, and biopsied four muscles from each specimen for histological procedures. We collected endocranial volumes from the literature. Using immunohistochemistry, a muscle fiber composition profile was created for each species sampled. Results show that larger brained primates have less muscle and fewer Type I fibers than primates with smaller brains. Results clarify the relationship between muscle mass and brain mass and illustrate how muscle mass could be used to address energetic questions. Anat Rec, 301:528–537, 2018. © 2018 Wiley Periodicals, Inc.
Scaling of Primate Forearm Muscle Architecture as It Relates to Locomotion and Posture
Authors: Leischner Carissa L. , Crouch Michael , Allen Kari L. , Marchi Damiano , Pastor Francisco , Hartstone‐Rose Adam
Published: February 2018

It has been previously proposed that distal humerus morphology may reflect the locomotor pattern and substrate preferred by different primates. However, relationships between these behaviors and the morphological capabilities of muscles originating on these osteological structures have not been fully explored. Here, we present data about forearm muscle architecture in a sample of 44 primate species (N = 55 specimens): 9 strepsirrhines, 15 platyrrhines, and 20 catarrhines. The sample includes all major locomotor and substrate use groups. We isolated each antebrachial muscle and categorized them into functional groups: wrist and digital extensors and flexors, antebrachial mm. that do not cross the wrist, and functional combinations thereof. Muscle mass, physiological cross‐sectional area (PCSA), reduced PCSA (RPCSA), and fiber length (FL) are examined in the context of higher taxonomic group, as well as locomotor/postural and substrate preferences. Results show that muscle masses, PCSA, and RPCSA scale with positive allometry while FL scales with isometry indicating that larger primates have relatively stronger, but neither faster nor more flexible, forearms across the sample. When accounting for variation in body size, we found no statistically significant difference in architecture among higher taxonomic groups or locomotor/postural groups. However, we found that arboreal primates have significantly greater FL than terrestrial ones, suggesting that these species are adapted for greater speed and/or flexibility in the trees. These data may affect our interpretation of the mechanisms for variation in humeral morphology and provide information for refining biomechanical models of joint stress and movement in extant and fossil primates. Anat Rec, 301:484–495, 2018. © 2018 Wiley Periodicals, Inc.
Creating volume estimates for buried shell deposits: A comparative experimental case study using ground‐penetrating radar (GPR) and electrical resistivity under varying soil conditions
Authors: Kenady Selene L. , Lowe Kelsey M. , Ridd Peter V. , Ulm Sean
Published: February 2018

Sampling issues represent a persistent problem in shell matrix research, particularly for large shell deposits. When small samples are taken from large buried deposits it is almost impossible, under current research practices, to understand how representative that sample is of the overall deposit. This case study tests a novel method for creating a better understanding of the buried deposits from which excavated samples are taken, thereby allowing for improved sampling strategies and a better understanding of how representative those samples are of the overall site. The case study employs two geophysical survey methods, ground‐penetrating radar (GPR) and electrical resistivity, to investigate buried shell deposits under experimental conditions. The survey results were used to create volume estimations and three‐dimensional (3D) models of buried shell deposits. This method is novel to shell matrix research and the current case study was designed to test the viability of the method under differing conditions. As well as testing the two geophysical methods, surveys were conducted under different moisture levels, soil types and survey transect spacings. Results showed that the 3D models and volume estimates of the deposit were successful in creating a representative understanding of the nature of the buried deposit, but with varying degrees of accuracy. GPR results created more accurate volume estimates and 3D models than the electrical resistivity results. Both geophysical methods produced more accurate results under drier conditions, though the electrical resistivity produced more visually distinct results with higher moisture levels. Analysis of the volume results revealed an error margin (to a confidence level of 95%) of 9.5% ± 15.5% for the GPR, and 44.5% ± 31.5% to 56 ± 70.5% for the electrical resistivity, depending on the interpretation method used to create the models.
Art in an algorithm: A taxonomy for describing video game visual styles
Authors: Cho Hyerim , Donovan Andy , Lee Jin Ha
Published: February 2018

The discovery and retrieval of video games in library and information systems is, by and large, dependent on a limited set of descriptive metadata. Noticeably missing from this metadata are classifications of visual style–despite the overwhelmingly visual nature of most video games and the interest in visual style among video game users. One explanation for this paucity is the difficulty in eliciting consistent judgements about visual style, likely due to subjective interpretations of terminology and a lack of demonstrable testing for coinciding judgements. This study presents a taxonomy of video game visual styles constructed from the findings of a 22‐participant cataloging user study of visual styles. A detailed description of the study, and its value and shortcomings, are presented along with reflections about the challenges of cultivating consensus about visual style in video games. The high degree of overall agreement in the user study demonstrates the potential value of a descriptor like visual style and the use of a cataloging study in developing visual style taxonomies. The resulting visual style taxonomy, the methods and analysis described herein may help improve the organization and retrieval of video games and possibly other visual materials like graphic designs, illustrations, and animations.
Comments on “Remarks on statistical errors in equivalent width” by K. Vollmann & T. Eversberg
Authors: Netzel C.
Published: February 2018

Both Chalabaev & Maillard and Vollmann & Eversberg proposed calculation methods for the statistical error of the equivalent width. Both methods can lead to very different error bars. Here we present a straightforward expression for normalized spectra, which makes use of only standard commands of IRAF and favors the first method.
A computer‐based educational tool for simulating multifactorial experiments of physical processes
Authors: Concha Antonio , Delgado Chavez Ana Cristina , Balagurusamy Nagamani , Narayanasamy Rajeswari , Gadi Suresh K.
Published: February 2018

In this article, challenges in designing example problems of multifactorial experiments for an academic purpose are identified, and an algorithm for simulating multifactorial experiments is presented. It is based on a proposed mathematical function, which mimics a physical system, can be employed for any number of finite factors, and contains a unique peak, with which a unique optimal solution for an experiment is guaranteed. The proposed algorithm is implemented on an application developed with JavaScript, HTML, and CSS, which has been tested in the classroom for highlighting all characteristics of experimental design.
Npom‐Protected NONOate Enables Light‐Triggered NO/cGMP Signalling in Primary Vascular Smooth Muscle Cells
Authors: Stroppel Anna S. , Paolillo Michael , Ziegler Thomas , Feil Robert , Stafforst Thorsten
Published: February 2018

Diazeniumdiolates (NONOates) are a class of nitric‐oxide‐releasing substances widely used in studies of NO/cGMP signalling. Because spatiotemporal control is highly desirable for such purposes, we have synthesised a new Npom‐caged pyrrolidine NONOate. A kinetic analysis together with a Griess assay showed the photodependent release of NO with high quantum yield (UV light). In primary vascular smooth muscle cells (VSMCs), our compound was reliably able to induce fast increases in cGMP, as measured with a genetically encoded FRET‐based cGMP sensor and further validated by the phosphorylation of the downstream target vasodilator‐stimulated phosphoprotein (VASP). Thanks to their facile synthesis, good decaging kinetics and capability to activate cGMP signalling in a fast and efficient manner, Npom‐protected NONOates allow for improved spatiotemporal control of NO/cGMP signalling.
Design of a Short Thermally Stable α‐Helix Embedded in a Macrocycle
Authors: Wu Haifan , Acharyya Arusha , Wu Yibing , Liu Lijun , Jo Hyunil , Gai Feng , DeGrado William F.
Published: February 2018

Although helices play key roles in peptide–protein and protein–protein interactions, the helical conformation is generally unstable for short peptides (10–15 residues) in aqueous solution in the absence of their binding partners. Thus, stabilizing the helical conformation of peptides can lead to increases in binding potency, specificity, and stability towards proteolytic degradation. Helices have been successfully stabilized by introducing side chain‐to‐side chain crosslinks within the central portion of the helix. However, this approach leaves the ends of the helix free, thus leading to fraying and exposure of the non‐hydrogen‐bonded amide groups to solvent. Here, we develop a “capped‐strapped” peptide strategy to stabilize helices by embedding the entire length of the helix within a macrocycle, which also includes a semirigid organic template as well as end‐capping interactions. We have designed a ten‐residue capped‐strapped helical peptide that behaves like a miniprotein, with a cooperative thermal unfolding transition and Tm≈70 °C, unprecedented for helical peptides of this length. The NMR structure determination confirmed the design, and X‐ray crystallography revealed a novel quaternary structure with implications for foldamer design.
1,3‐Dioxolane: A Strategy to Improve Electrode Interfaces in Lithium Ion and Lithium‐Sulfur Batteries
Authors: La Monaca Andrea , De Giorgio Francesca , Soavi Francesca , Tarquini Gabriele , Di Carli Mariasole , Paolo Prosini Pier , Arbizzani Catia
Published: February 2018

Batteries with increased specific energy will play a crucial role in future electrical energy. Indeed, high specific energy means increased driving ranges in electric vehicles and can also improve the efficient use of the renewable energy. Lithium batteries, including lithium ion batteries (LIBs), with a high specific energy can be achieved with the use of high‐potential and/or high specific capacity cathodes. We exploit the ability of 1,3‐dioxolane (DOL) to polymerize at voltages higher than 4 V to produce a protective polymer layer in situ on two different cathodes. Specifically, DOL was polymerized on high‐voltage LiNi0.5Mn1.5O4 (LNMO) and on high‐capacity sulfur electrodes in order to reduce the electrode/electrolyte interface reactivity of these cathode materials and to improve cycling performance.
Investigating the Role of Oxygen Vacancies and Lattice Strain Defects on the Enhanced Photoelectrochemical Property of Alkali Metal (Li, Na, and K) Doped ZnO Nanorod Photoanodes
Authors: Karmakar Keshab , Sarkar Ayan , Mandal Kalyan , Khan Gobinda Gopal
Published: February 2018

This work demonstrates the significance of defect engineering in tuning the visible‐light‐driven photoelectrochemical property of alkali metal (Li, Na, and K) doped ZnO nanorods. The large concentration of oxygen vacancies introduced into the sub‐bandgap, because of alkali metal doping, serve as the light‐absorbing donor sites and also photoelectron recombination centers, resulting in the enhanced photocurrent and hole separation in the valance band. The lattice strain developed in the nanorods, owing to doping, contributes to the easy electron transportation and mobility. Defect engineering also tunes the electronic structure of photoanodes, resulting in bandgap modification and band edge engineering, boosting charge‐carrier migration and reduced electron−hole pair recombination for enhanced oxygen evolution.
Synthesis of Functionalized Difluorocyclopropanes: Unique Building Blocks for Drug Discovery
Authors: Bychek Roman M. , Levterov Vadym V. , Sadkova Iryna V. , Tolmachev Andrey A. , Mykhailiuk Pavel K.
Published: February 2018

Difluorocyclopropane‐containing building blocks for drug discovery were synthesized from the functionalized alkenes and TMSCF3/NaI. Novel fluorinated acids, amines, amino acids, alcohols, ketones and sulfonyl chlorides were obtained.
Dynamic Protein–Metal Ion Networks: A Unique Approach to Injectable and Self‐Healable Metal Sulfide/Protein Hybrid Hydrogels with High Photothermal Efficiency
Authors: Wang Liqiang , Liang Kaixin , Jiang Xingxing , Yang Minghui , Liu You‐Nian
Published: February 2018

A new strategy is proposed to fabricate adaptable protein‐based hydrogel networks with both injectable and self‐healable properties. By mixing proteins and metal ions under alkaline conditions, the metal ions can crosslink proteins into protein–metal ion dynamic networks. Subsequently, the metal ions can react with the cysteine residues of protein to in situ form corresponding metal sulfide NPs with ultra‐small size, which leads to nanocomposite hydrogels with adaptable structures. This approach is general and a series of metal sulfide NP in situ embedded nanocomposite hydrogels were obtained. As an example, a Bi2S3–BSA hydrogel with tunable networks is shown to serve as an injectable, self‐healable photothermal agent for the treatment of tumors. Our finding paves a new avenue for the preparation of injectable and self‐healable hydrogels with potential applications in biomedicine.
Light Regulation of DNA Minicircle Dimerization by Utilizing Azobenzene C‐Nucleosides
Authors: Grebenovsky Nikolai , Goldau Thomas , Bolte Michael , Heckel Alexander
Published: February 2018

Although DNA has the ability to form almost every desired shape, the usability of DNA nanostructures can be limited due to the lack of functionality. To functionalize nanoscale structures, light‐responsive moieties like photoswitchable azobenzenes can be introduced into DNA. Upon UV irradiation, the isomerization of the azobenzene moiety causes destabilization of the neighboring base pairs leading to decreased binding ability. The linker strategy of the azobenzene to the DNA alters the performance of the switching behavior significantly. We hereby report the utilization of four different azobenzene C‐nucleosides and compare their features in a nanoarchitecture model with the help of gel‐electrophoresis and atomic force microscope‐imaging.
On the chiroptical properties of racemic crystals
Authors: Kahr Bart , Martin Alexander T. , Ernst Karl‐Heinz
Published: February 2018

In a recent letter on the “Optical activity from racemates”, discussed at the 16th International Conference on Chiroptical Spectroscopy in Rennes (June 2017), scientists claimed to have measured the circular dichroism of colored, racemic crystals of two transition metal complexes, observations that “serve to correct a clear deficit in our understanding of the optical properties of racemates.” In fact, there is no deficit in our understanding of the optical properties of racemates. Moreover, the measurements presented are unconvincing as evidence of circular dichroism measured in anisotropic crystals and therefore do not inform our understanding of the specific crystals investigated, or racemates generally speaking.
Chiroptical and vibrational spectroscopic study of genuine and counterfeit medicines containing tadalafil
Authors: Králík František , Jirmásek Patrik , Kuchař Martin , Setnička Vladimír
Published: February 2018

The production and distribution of counterfeit pharmaceuticals present a serious problem worldwide. This is true especially in case of phosphodiesterase type 5 inhibitors for treating erectile dysfunction, where consumers often prefer buying them anonymously from unverified sources. In this study, genuine and counterfeit Cialis® 20 mg tablets were analyzed by electronic circular dichroism, vibrational circular dichroism, and infrared spectroscopy. The characteristic spectral patterns were identified by comparison with the spectra of tadalafil standard as an active pharmaceutical ingredient, and its presence was confirmed in all samples. The amount of tadalafil, however, was markedly lower in the case of counterfeit tablet as the observed band intensities were considerably lower. No other significant differences between the genuine and counterfeit tablets were revealed. Ab initio density functional theory calculations provided a detailed description of the stable conformers of tadalafil in a solution and enabled thorough interpretation of the experimental spectra.
Preparation of Tetradentate Copper Chelators as Potential Anti‐Alzheimer Agents
Authors: Zhang Weixin , Huang Daya , Huang Meijie , Huang Ju , Wang Dean , Liu Xingguo , Nguyen Michel , Vendier Laure , Mazères Serge , Robert Anne , Liu Yan , Meunier Bernard
Published: February 2018

The uncontrolled redox activity of metal ions, especially copper, in the brains of patients with Alzheimer's disease (AD) should be considered the origin of intense oxidative damage to neurons in the AD brain. To obtain low‐molecular‐weight copper chelators that act as tetradentate ligands, we designed new compounds based on an 8‐aminoquinoline motif with a lateral chain attached at the 2‐position of the aromatic ring. Some of these new ligands, termed TDMQ for TetraDentate MonoQuinolines, are specific for copper chelation. Full characterization of these ligands is reported, as well as their affinities for CuII, and their capacities to inhibit oxidative stress induced by copper–amyloids activated by a reductant. Such metal ligands can be considered as potential anti‐AD agents, as they should be able to regulate the homeostasis of copper in brain tissue.
Cancer in the older adult: Implications for therapy and future research
Authors: Sedrak Mina S. , Hurria Arti
Published: February 2018

Based on aging of the cancer population and growth in the number of cancer survivors, this is an opportune time to invest in and accelerate research of interventions to mitigate the risk of accelerated aging. The discoveries emerging from such research will be far reaching, because they ultimately will improve the well‐being and quality of life of the growing population of older cancer survivors.

See also pages 1279‐1287.
Practical privacy‐preserving deep packet inspection outsourcing
Authors: Li Jie , Su Jinshu , Chen Rongmao , Wang Xiaofeng , Chen Shuhui
Published: February 2018

Hardware‐based middleboxes are ubiquitous in computer networks, which usually incur high deployment and management expenses. A recently arising trend aims to address those problems by outsourcing the functions of traditional hardware‐based middleboxes to high volume servers in a cloud. This technology is promising but still faces a few challenges from different aspects, including privacy concerns, middlebox functionality, and performance. In this paper, we propose two practical approaches to implementing a cloud‐based DPI middlebox. The outsourced DPI middlebox performs payload inspection over encrypted traffic while preserving the privacy of both communication data and inspection rules. Our first approach employs a modified reversible sketch structure, which is used for efficient error‐free membership testing, and our second approach extends the famous AC pattern matching algorithm to the cipher text domain. We utilize unkeyed one‐way hash functions instead of complex cryptographic protocols to achieve the privacy preservation requirements. Our system supports a wide range of real‐world inspection rules. We conduct evaluations on the ClamAV rule set, and the experiment results demonstrate the effectiveness of our proposals.
Micropolarity and Hydrogen‐Bond Donor Ability of Environmentally Friendly Anionic Reverse Micelles Explored by UV/Vis Absorption of a Molecular Probe and FTIR Spectroscopy
Authors: Girardi Valeria R. , Silber Juana J. , Falcone Ruben Darío , Correa N. Mariano
Published: February 2018

In the present work we show how two biocompatible solvents, methyl laurate (ML) and isopropyl myristate (IPM), can be used as a less toxic alternative to replace the nonpolar component in a sodium 1,4‐bis‐2‐ethylhexylsulfosuccinate (AOT) reverse micelles (RMs) formulation. In this sense, the micropolarity and the hydrogen‐bond ability of the interface were monitored through the use of the solvatochromism of a molecular probe (1‐methyl‐8‐oxyquinolinium betaine, QB) and Fourier transform infrared spectroscopy (FTIR). Our results demonstrate that the micropolarity sensed by QB in ML RMs is lower than in IPM RMs. Additionally, the water molecules form stronger H‐bond interactions with the polar head of AOT in ML than in IPM. By FTIR was revealed that more water molecules interact with the interface in ML/AOT RMs. On the other hand, for AOT RMs generated in IPM, the weaker water–surfactant interaction allows the water molecules to establish hydrogen bonds with each other trending to bulk water more easily than in ML RMs, a consequence of the dissimilar penetration of nonpolar solvents into the interfacial region. The penetration process is strongly controlled by the polarity and viscosity of the external solvents. All of these results allow us to characterize these biocompatible systems, providing information about interfacial properties and how they can be altered by changing the external solvent. The ability of the nontoxic solvent to penetrate or not into the AOT interface produces a new interface with attractive properties.
Breaking Down Barriers to Effective Patient Care
Authors: O'Donnell Peter H. , Reynolds Kellie Schoolar
Published: February 2018

The theme for the 2018 ASCPT Annual Meeting is “Breaking Down Barriers to Effective Patient Care.” This theme refers to the essential contributions of clinical pharmacology to the development of today's discovery into tomorrow's medicine. The various subdisciplines within clinical pharmacology serve to move molecules through the various stages of drug development and also refine or expand use of the drug postapproval. The wide range of topics covered by the 2018 Annual Meeting scientific program demonstrates the breadth of clinical pharmacology's impact. Because of new methods being developed to identify drug targets, medicines are being developed for patients with rare diseases. Biomarkers and diagnostic tools are advancing the development of drugs for neurodegenerative disorders, cancer, and many other diseases. Preclinical data are playing a key role in informing the quantitative clinical pharmacology of drugs, especially antimicrobials, and animal efficacy data are pivotal for drugs that are developed and approved under the animal rule. The use of pharmacogenomics, model‐based drug development, informatics, and identification and evaluation of subgroups are key topics. With our focus on the patient, the Annual Meeting, and this issue of Clinical Pharmacology & Therapeutics, will highlight the many innovative ways that current clinical pharmacology investigations are attempting to dissolve barriers to effective patient care.
Aryl Sulfonates as Initiators for Extreme Ultraviolet Lithography: Applications in Epoxy‐Based Hybrid Materials
Authors: Torti Edoardo , Protti Stefano , Bollanti Sarah , Flora Francesco , Torre Amalia , Brusatin Giovanna , Gerardino Annamaria , Businaro Luca , Fagnoni Maurizio , Della Giustina Gioia , Mezi Luca
Published: February 2018

Two perfluoroaryl sulfonates were tested as initiators for the extreme ultraviolet (EUV)‐promoted polymerization of silica‐based hybrid organic‐inorganic films containing epoxy moieties. One of the sulfonates was able to strongly improve the polymerization efficiency in the tested materials and behaved much better than the commercial photoacid generator diphenylsulfonium (4‐phenylthiophenyl)diphenylsulfonium triflate. Furthermore, lithographic patterns with sub‐micrometric resolutions were achieved by irradiating resists containing the selected sulfonate (1 % molar concentration) at very low EUV doses (about 10 mJ cm−2). The proposed combination of specifically designed perfluoroaryl sulfonates and hybrid organic‐inorganic materials is a starting point to develop high‐performance and cost‐effective EUV‐sensitive resists for the microelectronic industry.
Facile Photoinduced Generation of Hydroxyl Radical on a Nitrocellulose Membrane Surface and its Application in the Degradation of Organic Pollutants
Authors: Tai Chao , Zhang Shaodong , Yin Yongguang , Dai Zhifeng , Li Yanbin , Jiang Guibin , Cai Yong , Huang Chunhua , Shi Jianbo
Published: February 2018

A simple, clean, and efficient method has been developed for generating hydroxyl radicals on a nitrocellulose membrane (NCM) under light of wavelengths greater than 280 nm. Hydroxyl radicals formed on the NCM surface, diffusing into the bulk solution under irradiation. Radical generation was shown to be dependent on the nature of the NCM and light, and independent of the properties of the bulk solution. The quantum yield for hydroxyl radicals from the NCM was 1.72×10−4, which is approximately 2.46 times that from TiO2. This hydroxyl radical generation method was preliminarily applied in the photodegradation of organic pollutants, in which electrostatic interactions between the pollutant molecules and the NCM surface were found to play a key role. Further applications of this hydroxyl radical generation method should be assessed.
A novel reliable and secure communication scheme for cognitive radio networks using concatenated kernel codes
Authors: Pavan Kumar C. , Selvakumar R.
Published: February 2018

Cognitive radio networks have emerged as a possible solution for the spectrum scarcity problem. Cognitive radio networks involve heterogeneous entities as part of it for facilitating spectrum sharing. Ensuring reliability and security in such scenario is inevitable for the licensed users (primary users) as well as for the unlicensed users (secondary users). To address the challenges of reliable and secure communication for the secondary users, in this paper, a novel reliable and secure communication framework is proposed. A class of group codes called concatenated kernel codes is used to achieve reliability and techniques of fundamental cutset and fundamental circuit to achieve security in terms of authentication of sender. It is shown that the proposed communication framework provides reliability mitigating the continuous interference of primary users and security by defending against the cryptanalytic attacks such as replay attack, related key attack, and man‐in‐the‐middle attacks. The theoretical basis of the proposed framework is validated, and its performance is evaluated through simulations.