bluuebunny/crossref_metadata_2025_split huggingface dataset:
Exploring the role of quantum‐mechanical descriptors in the concentration‐dependent adsorption of aromatic organic compounds by multiwalled carbon nanotubes
Authors: Lata Suman , Vikas  
Published: October 2018

AbstractAn accurate quantitative prediction for concentration‐dependent adsorption of organic compounds by carbon‐nanotubes (CNTs) is increasingly in demand to evaluate not only their applications but also risk associated using CNTs. This is often carried out using poly‐parameter linear‐solvation‐energy‐relationships (pp‐LSERs) based on adsorbate descriptors. This work examines the predictivity of existing pp‐LSERs in the prediction of adsorption of aromatic organic compounds by multi‐walled CNTs (MWCNTs) at five different adsorbate concentrations, and compares that with the predictivity of quantum‐mechanical models while revealing an essential role of electron‐correlation. Notably, the most influencing descriptor for the adsorption was found to be the mean polarizability but that arising from the quantum‐mechanical exchange interactions between electrons of the same spin. This work also proposes reliable predictive models based on a combination of the quantum‐mechanical descriptors and pp‐LSER's descriptors, which were applied to predict the adsorption of nucleobases and steroid hormones, with Progesterone found to be maximally adsorbed.
Experimental and Theoretical Study on the Biomolecular Interaction of Novel Acenaphtho Quinoxaline and Dipyridophenazine Analogues
Authors: De Sourav , Sarkar Bidisha , Jadhav Gajanan Raosaheb , Ramasamy Selva Kumar , Banerjee Subhasis , Moorthy Anbalagan , Paira Priyankar , K Ashok Kumar S 
Published: October 2018

AbstractIn this report, two different types of quinoxaline derivatives have been developed with an idea that these molecules are composed of planar structure with extensive π‐delocalization. Accordingly, compounds such as 9‐bromoacenaphtho [1,2‐b]quinoxaline (3), 4‐(acenaphtho [1,2‐b] quinoxalin‐9‐yl) benzaldehyde (5), 11‐bromodipyrido [3,2‐a:2′,3′‐c] phenazine (3′) and 4‐(dipyrido [3,2‐a:2′,3′‐c] phenazin‐11‐yl) benzaldehyde (5′) were prepared by a sonication method. In order to prove these compounds as potential anticancer agents, binding studies with calf thymus deoxyribonucleic acid (CT‐DNA) and bovine serum albumin (BSA) have been established by absorption and fluorescence studies. The DNA interaction with prepared compounds shows that quinoxaline (3 and 5) and phenazine derivatives (3′ and 5′) are bind to DNA through intercalation and electrostatic modes. The binding strength of 3′ and 5′ with DNA found to be stronger than other two derivatives (3 and 5). The magnitude of 5 and 5′ exhibits 10‐fold more binding efficacy with protein BSA than compound 3′ but compound 3 did not show any binding efficacy with BSA. The MTT (3‐(4,5‐Dimethylthiazol‐2‐yl)‐2,5‐diphenyltetrazolium bromide) analysis reveals that 5′ exhibits highly selective cytotoxicity profile in HeLa cell line and moderate cytoselectivity in human epithelial colorectal adenocarcinoma cells (Caco‐2) cell line with respect to the normal cell line. However, compound 3 showed best potency and selectivity in Caco‐2 cells.
A Computational Study on the 4‐Dimethylaminopyridine (DMAP)‐Catalyzed Regioselective [2+4] Cyclization of Allenic Ester with Cyclic Ketimine
Authors: Liu Qiuli , Li Shi‐Jun , Li. Xue , Qu Ling‐Bo , Wei Donghui 
Published: October 2018

AbstractThe reaction mechanisms of [2+4] cyclization of allenic ester and cyclic ketimine catalyzed by 4‐dimethylaminopyridine (DMAP) for forming highly functionalized hydropyridine derivatives were studied theoretically using density functional theory (DFT). Three possible reaction channels, including DMAP‐catalyzed [β,γ]–/[α,β]–[2+4] cyclization channel (i. e., channel A/B) and direct [β,γ]–[2+4] cyclization channel (i. e., channel C) were considered. According to the calculated results, channel A was concluded to be the most energetically favorable among the three channels, and the corresponding product is the main product, which is consistent with the experimental observation. The channel A consists of four steps, i. e., nucleophilic addition on the Cβ atom of allenic ester by DMAP, the stepwise [β,γ]–[2+4] cyclization with ketimine, and the dissociation of DMAP with product. The analyses of global reactivity index (GRI) and frontier molecular orbital (FMO) suggested that DMAP not only enhances the nucleophilicity of allenic ester but also narrows the energy gap of the FMOs involved in the [2+4] cyclization, and thus makes the reaction more easily to occur. Moreover, the non‐covalent interaction (NCI) analysis explored the origin of regioselectivity of the reaction.
Monocoordinated Diphosphines Dangling in Pt(II) Complexes: Effective Synthons for Polynuclear Platinum Compounds
Authors: Giannetto Antonino , Lanza Santo 
Published: October 2018

Abstract[(HEt2DTO)PhPt(Me2SO)] reacts with diphenylphosphinomethane and provides the metalloligand [(HEt2DTO)PhPt(dppm‐κP)] (1) (HEt2DTO−, N,N’‐diethyldithiooxamidate; Ph=phenyl; dppm=bis(diphenylphosphino)methane). The uncoordinated phosphorous of the dangling dppm in 1 reacts with complexes as metal [(HEt2DTO)PhPt(Me2SO)] (equimolar quantity) and cis‐[Pt(Me2SO)2Ph2] (half molar quantity) leading to the homobinuclear [(HEt2DTO)PtPh]2(μ‐dppm) (2) and the homo‐trinuclear [(HEt2DTO)PtPh]2(cis‐[PtPh2(μ‐dppm)2]) (3) complexes. 31P and 195Pt NMR analysis was particularly useful for the characterization of these complexes. In the multinuclear complexes 2 and 3 the terminal N‐H…N moieties of the S,S‐coordinated dithioxamidates may also be exploited to coordinate further metal fragments.
Soft, Skin‐Interfaced Microfluidic Systems with Wireless, Battery‐Free Electronics for Digital, Real‐Time Tracking of Sweat Loss and Electrolyte Composition
Authors: Kim Sung Bong , Lee KunHyuck , Raj Milan S. , Lee Boram , Reeder Jonathan T. , Koo Jahyun , Hourlier‐Fargette Aurélie , Bandodkar Amay J. , Won Sang Min , Sekine Yurina , Choi Jungil , Zhang Yi , Yoon Jangryeol , Kim Bong Hoon , Yun Yeojeong , Lee Seojin , Shin Jiho , Kim Jeonghyun , Ghaffari Roozbeh , Rogers John A. 
Published: October 2018

AbstractSweat excretion is a dynamic physiological process that varies with body position, activity level, environmental factors, and health status. Conventional means for measuring the properties of sweat yield accurate results but their requirements for sampling and analytics do not allow for use in the field. Emerging wearable devices offer significant advantages over existing approaches, but each has significant drawbacks associated with bulk and weight, inability to quantify volumetric sweat rate and loss, robustness, and/or inadequate accuracy in biochemical analysis. This paper presents a thin, miniaturized, skin‐interfaced microfluidic technology that includes a reusable, battery‐free electronics module for measuring sweat conductivity and rate in real‐time using wireless power from and data communication to electronic devices with capabilities in near field communications (NFC), including most smartphones. The platform exploits ultrathin electrodes integrated within a collection of microchannels as interfaces to circuits that leverage NFC protocols. The resulting capabilities are complementary to those of previously reported colorimetric strategies. Systematic studies of these combined microfluidic/electronic systems, accurate correlations of measurements performed with them to those of laboratory standard instrumentation, and field tests on human subjects exercising and at rest establish the key operational features and their utility in sweat analytics.
Behaviors of capacitive and Pirani vacuum gauges
Authors: Zavarian Ali Asghar , Arman Ali , Ghotbi S. M. Jamal , Korpi Alireza Grayeli , Salehi Maryam , Mardani Mohsen , Hafezi Fatemeh , Shafiekhani Azizollah , Ţălu Ştefan , Afghan Ashkan Sepehr 
Published: October 2018

SummaryKnowing the exact pressure of the process has a great impact on the validity of the results, product quality, energy efficiency, and in some processes, on the security of work with the system. Hence, the calibration of the barometers and the accuracy of the readings should be taken seriously. Choosing the appropriate time interval for re‐calibration is done according to the extent and conditions of use, uncertainty, and the inaccuracy allowed in measurement, constructive suggestion, and some other things. Failure to pay attention to the importance of periodic calibration in vacuum gauges leads to some irreparable losses in the research project and the vacuum generator system. In this study, using McLeod's barometer, the deviation of capacitive and Pirani vacuum gauges is investigated at different time intervals in the middle vacuum range, and it is determined that the vacuum gauge faces a serious deviation from the actual calibrated amount for upper and lower ranges of middle vacuum in the same working pressure range over time.
Flüssigkeitsring‐Vakuumpumpen
Authors: Merkle Uli 
Published: October 2018

SummaryLiquid ring vacuum pumps – Oldtimers of vacuum technology and yet highly up‐to‐dateLiquid ring vacuum pumps were developed over a hundred years ago. In the meantime, vacuum technology has evolved considerably and offers optimum economic and technical solutions for a wide variety of applications. However, liquid ring vacuum technology still has its reason for existence and is the most suitable principle for vacuum generation in some applications. Thanks to its functionality it is perfectly suited for the extraction of humid gases or vapours. Due to the use of process‐compatible operating fluid and the possibility of different construction materials, it can be perfectly matched to different operating fluids and process conditions. In addition, it is available in many sizes on the market and can therefore extract very small and very high quantities of gas and vapour.
Atomic Scale Insights into Single‐Atom Catalysis
Authors: Parkinson Gareth S. 
Published: October 2018

Summary“Single‐Atom” Catalysis (SAC) is a rapidly emerging field aimed at minimizing the amount of precious metals required to perform important catalytic reactions. Modern heterogeneous catalysts already utilize nanoparticles containing 100s to 1000s of atoms on an inexpensive support, but the dream of SAC is to do the same chemistry with single atoms. The concept is firmly entrenched, and SAC systems have demonstrated activity for a variety of reaction, metal, and support combinations. Nevertheless, the topic remains controversial because it is extremely difficult to characterize a catalyst based on single atom active sites, and even harder to figure out how they work. In our group in Vienna, we study model SAC systems in a highly controlled ultrahigh vacuum environment using a variety of state‐of‐the‐art surface‐science techniques to discover what makes a stable single atom catalyst, the mechanisms underlying their catalytic activity, and the processes leading to their deactivation.
Physical and mechanical properties of hot-press sintering ternary CM2A8 (CaMg2Al16O27) and C2M2A14 (Ca2Mg2Al28O46) ceramics
Authors: Li Bin , Li Guangqi , Chen Haiyang , Chen Junhong , Hou Xinmei , Li Yong 
Published: October 2018

Abstract
The new ternary CM2A8 (CaMg2Al16O27) and C2M2A14 (Ca2Mg2Al28O46) pure and dense ceramics were first prepared by a hot-press sintering technique, and their physical and mechanical properties were investigated. The purity of obtained CM2A8 and C2M2A14 ceramics reaches 98.1 wt% and 97.5 wt%, respectively. Their microstructure is dense with few observable pores, and their grain size is about a few dozen microns. For their physical properties, the average apparent porosity of CM2A8 and C2M2A14 ceramics is 0.18% and 0.13%, and their average bulk density is 3.66 g/cm3 and 3.71 g/cm3, respectively. The relative density of CM2A8 ceramic is 98.12% and that of C2M2A14 ceramic is 98.67%. The thermal expansivity (50–1400 °C) of CM2A8 and C2M2A14 ceramics is 9.24×10–6 K–1 and 8.92×10–6 K–1, respectively. The thermal conductivity of CM2A8 and C2M2A14 ceramic is 21.32 W/(m·K) and 23.25 W/(m·K) at 25 °C and 18.76 W/(m·K) and 19.42 W/(m·K) as temperature rises to 350 °C, respectively. In addition, the mechanical properties are also achieved. For CM2A8 ceramic, the flexural strength is 248 MPa, the fracture toughness is 2.17 MPa·m1/2, and the Vickers hardness is 12.26 GPa. For C2M2A14 ceramic, the flexural strength is 262 MPa, the fracture toughness is 2.23 MPa·m1/2, and the Vickers hardness is 12.95 GPa.
Culturing practices and the care of the urinary catheter in reducing NHSN-defined catheter-associated urinary tract infections: The tale of two teaching hospitals
Authors: Bardossy Ana Cecilia , Williams Takiah , Jones Karen , Szpunar Susan , Zervos Marcus , Alangaden George , Reyes Katherine , Fakih Mohamad G. 
Published: October 2018

AbstractWe compared interventions to improve urinary catheter care and urine culturing in adult intensive care units of 2 teaching hospitals. Compared to hospital A, hospital B had lower catheter utilization, more compliance with appropriate indications and maintenance, but higher urine culture use and more positive urine cultures per 1,000 patient days.
London’s Public Events and Ceremonies: an Overview Through Three Centuries
Authors: Cherry Bridget 
Published: October 2018

A revised and abridged record of the Annual Lecture of the Society of Architectural Historians of Great Britain, given at the Courtauld Institute of Art, London, on 12 November 2012Two exceptional events in London in 2012, the queen’s Diamond Jubilee and the Olympics, provoked questions about the origins and legacy of major public events of the past. This article explores the impact on the fabric of London since the eighteenth century of occasional planned spectacles through discussion of two main types of event, namely the procession along a predetermined route and occasions requiring a large organized space.George, Elector of Hanover, succeeded to the throne as George I on 1 August 1714. The proclamation of a new monarch took place at a series of traditional sites. The Heralds started at the king’s residence, St James’s Palace, and proceeded to Charing Cross, where the statue of Charles I had replaced the medieval Eleanor cross destroyed in the Civil War. The third site, Temple Bar, marked the boundary of the City Liberties. Within the City the proclamation was repeated at St Mary le Bow and at the Royal Exchange — recent post-Fire buildings, but iconic sites — marking the significance of the Church and the power centre of the City merchants.
Schooled by Wren, or a School by Wren? The Conception and Design of Christ’s Hospital Writing School, London
Authors: Foxall Tom 
Published: October 2018

On 2 March 1692, Sir Christopher Wren visited the governors of Christ’s Hospital in London, bringing with him a design for a new writing school to be erected on the Hospital’s Newgate Street site. Seven drawings for the school building survive in the Wren collection at All Souls College, Oxford. However, rather than suggesting Wren’s authorship, these drawings are customarily attributed to his pupil and long-time assistant, Nicholas Hawksmoor. It is generally accepted that Hawksmoor received delegated commissions from Wren by at least the early 1690s, but, although the draughtsmanship and stylistic evidence of the Writing School drawings suggest consistency with this interpretation, the surviving documentary evidence by no means proves Hawksmoor’s involvement. In fact, Wren’s name appears no less than thirteen times in the surviving Hospital minutes of 1691 to 1696, while Hawksmoor is never mentioned.The Writing School designs are briefly described in most architectural histories of the period, although they are considered remarkable more for heralding a shift in architectural taste than for the building shown in the drawings or for the social and ideological impulses that impelled its creation. This article considers the Writing School in the context of contemporary debates and anxieties concerning the provision of education for the poor, and within the wider sphere of late seventeenth-century charity-school building. Wren’s involvement is considered in relation to his philanthropic interest in the charity-school movement. The article concludes with an analysis of the designs and building history of the Writing School, and, on the basis of previously unpublished eighteenth- and nineteenth-century graphic sources, discounts Giles Worsley’s suggestion that Hawksmoor added a pediment to the final design. Wren and Hawksmoor’s specific responsibilities for the conception, design and execution of the building are considered, and it is argued that, although Hawksmoor was responsible for most of the surviving drawings relating to the project, Wren directed the process, taking responsibility for all designs produced in his office and claiming authorship for the drawings produced.
The Tsar’s Last Philosopher on the Method of Architectural History: Orthodox Theology versus Geistesgeschichte
Authors: Mitrović Branko 
Published: October 2018

A photograph dating from the years of the Russian Civil War shows Vasiliy Pavlovich Zubov in the uniform of the Red Army: an unlikely conscript to it, given his poor eyesight (as betrayed by his thick glasses), but in fact one who served as a scribe in an artillery unit located near Moscow (Fig. 1). Another photograph, taken not long before his death in 1963, shows him in the greyish suit of the Khrushchev years: a survivor who, by becoming Russia’s greatest intellectual historian, managed to avoid playing any active part in political history (Fig. 2).Zubov is the towering figure of Russian architectural history in the twentieth century. The most pertinent way to introduce him here is as the Russian translator of Leon Battista Alberti’s De re aedificatoria (Fig. 3) and as one of the two co-translators of Daniele Barbara’s commentary on Vitruvius. The former treatise is notorious for the complexities of its text, and it took a team of three scholars to produce the most recent English translation. Understanding of the latter work demands such an extensive knowledge of both Renaissance and Roman intellectual history that it is considered virtually untranslatable, and the translation on which Zubov collaborated is the only one ever published in any living language. He was also the author of an extensive commentary on Alberti’s architectural treatise (Fig. 4), much praised by those Renaissance scholars who can read Russian, while those few of his articles on Leon Battista Alberti that were published in French or Italian during his lifetime are still widely cited today.
Letting in the Light: the Council for Art and Industry and Oliver Hill’s Pioneer Schools
Authors: Holland Jessica 
Published: October 2018

The British architect Oliver Hill (1887–1968) was an important and influential figure in the inter-war period. His ability to cross the boundaries of architectural style ensured career longevity and success, but invited a reputation as a half-hearted Modernist, lacking the rigour of his Modern Architectural Research (MARS) Group contemporaries. This view was acknowledged by the MARS chairman Wells Coates (1895–1958), in an early group memorandum of 1933, where he asserted that: ‘Certain people [including Oliver Hill] who are popularly and notoriously known as “modern” architects do not qualify in our sense.’ Unquestionably, there were two sides to Hill’s architecture, as he himself recognized in 1937: ‘Today, my love is divided between the new and the old.’While the MARS Group stuck rigidly to the dogma of the Modern Movement, Hill’s understanding and application of Modernism developed throughout the 1930s. Hill’s Modern buildings chronicle his shifting concept of modernity, reflecting the numerous sub-movements and strands of Modernism in inter-war Britain rather than any halfheartedness in his approach. Commonly remembered for his glitzy early examples of ‘the new’, such as Joldwynds (1930–32) and the Midland Hotel in Morecambe (1932–33), Hill’s Modernism was initially based upon a use of glass and silvered surfaces that straddled Art Deco and the International Style. Yet opulence was gradually replaced by a social concern focused on children’s welfare, evident in a series of exhibits, unrealized projects and school buildings. Hill’s later inter-war Modernism also reflected a wider move toward local materials and construction techniques that acknowledged the peculiarity of English conditions. This article contextualizes Hill’s adoption of Modernism and explores his public work of the late 1930s that combined his fascination for the new with his respect for national tradition.
Not as Ugly as Stonehenge: Architecture and History in the First Lists of Historic Buildings
Authors: Kelsall Frank 
Published: October 2018

Four years ago Peter Draper, as your recently retired president, described his lecture as valedictory and therefore self-indulgent in its choice of topic. What a useful precedent. I hope I am not over self-indulgent to the extent of being too autobiographical, but the subject does relate to my personal experience of the practice of architectural history in the conservation of historic buildings. The history of building conservation is now developing its own quite substantial literature to which this is a small contribution. To some extent this lecture is as much about bureaucracy as about architecture, for much of my life has been spent as an official in the public service. But, so that the lecture is properly historical, most of what I will talk about happened before I was involved.One major difference between the British and American Societies of Architectural Historians is that the American Society has always involved itself in building preservation issues, whereas the Society of Architectural Historians of Great Britain does not. This recognizes the different circumstances in each country. In Great Britain we have many amenity societies directed to conservation matters; most of us will belong to one or more of them and they are centres of quite extraordinary expertise. But in view of what I will say later, it is notable that in an account of a meeting in March 1941 in Washington, reported in the first volume of the American Society’s journal, Henry-Russell Hitchcock commented on the merits of the Historic American Buildings Survey, but added that selections by local groups often lacked historical perspective and ignored anything later than the Greek Revival; that there was excessive preservation of seventeenth- and eighteenth-century houses in New England without regard to architectural merit; and that primary monuments of modern architectural history were wantonly destroyed. As concerns the latter, he cited, among others, Richardson’s Marshall Field Warehouse, and a threat to Wright’s Robie House. The representative of the National Parks Service said that 1870 was about the date limit for a building to be regarded as of interest, though the Vanderbilt House of 1895 had recently been acquired, and that attention was also being paid to groups of buildings.