bluuebunny/crossref_metadata_2025 huggingface dataset:
Performance of Wheat (Triticum aestivum L.) as Affected by Different Densities of Ranunculus spp. under Temperate Conditions of Kashmir Valley, India
Authors: Gull Razia , Bhat M. Anwar , Sheikh Tahir A. , Wani Fehim J. , Mir Shakeel Ahmad , Bhat M. Auyoub
Published: December 2024

A field study was carried out at the Agronomy research farm of Sher-e-Kashmir University of Agricultural Sciences and Technology of Kashmir during 2021-22 and 2022-23. The experiment was conducted in RCBD comprising of six weed densities viz., D0 (0), D1 (25), D2 (50), D3 (75), D4 (100), and D5 (125) plants m-2. The results revealed that wheat growth and yield was significantly influenced by Ranunculus spp. densities, and increasing densities showed a corresponding decrease in yield. Ranunculus produced higher biomass at its higher densities of 100 and 125 plants m-2 as compared to the lowest densities of 25 plants m-2 which significantly affected the growth and yield of crop. The wheat yield and yield attributes were negatively affected by an increase in the Ranunculus weed density. The data revealed that during both the years of study, maximum reductions in the number of effective tillers m-2 (23-24%), grains per ear (23-23.7%), ear weight (32-33%), 1000-grain (7-7.8%) weight, and grain yield (41- 45%) were recorded at the highest Ranunculus spp. density (125 plants m-2). However, the lowest density of 25 plants m-2 also caused only 8% and 6.3% losses in wheat yield during the years 2021-22 and 2022-23 respectively. Moreover, the yield losses were higher during the year 2021-22 because of the more competitive nature of the weed during the year. Thus, the study suggested that the weed is highly competitive in wheat-Ranunculus mixtures during early stages of the crop growth and pre-emergence herbicide (pendimethalin) after sowing of wheat and post-emergence herbicide (sulfosulfuron) in the 2nd week of March have been found effective in curbing the weed (Ranunculus spp.) and attaining higher wheat yield in Kashmir valley.
Development of Herbal Spiced Buttermilk
Authors: B M Nagesh , A R Praveen , B G Shilpashree , H Manjunatha
Published: December 2024

Aims: The study aimed to develop the herbal spiced buttermilk added with functional ingredients.
Study Design:  Development of herbal spiced buttermilk and its analysis.
Place and Duration of Study: Department of Dairy Technology, Dairy Science College, Hebbal, Bengaluru, Karnataka Veterinary, Animal and Fisheries Sciences University, Bidar, Karnataka, India. Between January 2024 and September 2024.
Methodology: Ingredients for the herbal spiced buttermilk were optimized based on the 9-point hedonic sensory score by panel judges. The optimized product was then analyzed for its rheological attributes, chemical quality and microbiological quality.
Results: The optimized herbal spiced buttermilk contains rock salt (1%), spice mix of ginger, garlic, chili and coriander (0.3%), Tamarind (2%) and fenugreek seed powder (0.3%) The optimized herbal spiced buttermilk had 1.16% fat, 2.31% protein, total solids at 7.43% and ash at 1.35%. Acidity was 0.53% LA, viscosity of herbal spiced buttermilk was 4.75 cP, Water activity was 0.892 and colour measured at L* 60.60, a* 1.66 and b* 14.66. Coliforms, yeast and molds were nil.
Conclusion: The developed herbal spiced buttermilk product exhibited excellent taste and shelf life at refrigeration temperature, the functionality and overall acceptance of the herbal spiced buttermilk were enhanced flavour with spices and functional ingredients and no any risks for the humans.
Effect of Integrated Nutrient Management on Growth, Yield and Quality of Green Onion
Authors: Sitapara K. D. , Pawar Y. D. , Sable P. A.
Published: December 2024

A field experiment was conducted during rabi season of 2021-22 at College of Horticulture, S. D. Agricultural University, Jagudan, Dist. Mehsana, Gujarat to study the effect of integrated nutrient management (INM) on the growth, yield and quality of green onion. The experiment was laid out in Randomized Block Design (RBD) replicated thrice with 16 nutrient management treatments of different organic, bio-enhancer sources and inorganic sources. The maximum plant height (45.39 cm) at 30 days after planting (DAP) and at harvest (60.60 cm); number of leaves plant-1 at 30 DAP (9.10) and at harvest (11.00) and neck thickness (1.65 cm) was observed with application of 100% recommended dose of nitrogen (RDN) through vermicompost containing 1.12, 0.35 and 0.56% of N, P2O5 and K2O, respectively, applied at planting (4.46 t ha-1) with NPK consortia (2.5 L ha-1) i.e. T6, while, the effect of different integrated nutrient management practices on days taken for harvesting was found non-significant. Treatment T6 was also as good as the highest yield producing treatment. The maximum yield plant-1 (58.72 g), yield plot-1 (3.20 kg) and yield ha-1 (66.67 t) were obtained with application of 100% RDN through vermicompost + NPK consortia (T6). In case of quality parameters, the maximum chlorophyll content a, b and total chlorophyll, 0.92, 0.70 and 1.59 mg g-1, respectively and phosphorus uptake by plant (7.50 kg ha-1) were recorded with application of 100% RDN through vermicompost (4.46 t ha-1) with VAM (2.5 kg ha-1) i.e. T5. Combined application of organic sources of nutrients along-with NPK consortia improved the nutrient uptake by the crop. The maximum nitrogen uptake (16.75 kg ha-1) and potassium uptake (11.74 kg ha-1) were recorded with application of 100% RDN through vermicompost + NPK consortia (T6).
Rechtlicher Rahmen beim Einsatz von KI in den steuerlichen Verrechnungspreismethoden der OECD
Authors: Kersting Niklas
Published: December 2024

In diesem Aufsatz werden die rechtlichen Anforderungen aus dem Urheberrecht, Datenschutzrecht, Steuerrecht und der KIVerordnung bei der Verwendung von Künstlicher Intelligenz (KI) innerhalb der fünf Verrechnungspreismethoden der OECD erläutert. Der Text widmet sich den rechtlichen Risiken dieser ausgewählten Rechtsbereiche. Das Urheberrecht ist aufgrund freistellender Normen wenig risikobehaftet. Das Datenschutzrecht ist aufgrund mangelnder Anwendbarkeit und die KI-Verordnung aufgrund einer Einstufungssystematik, die eine KI, die steuerrechtliche Sachverhalte verarbeitet, nicht einschränkt, ebenfalls wenig risikobehaftet. Das Steuerrecht, insbesondere die OECD-Verrechnungspreisrichtlinien 2022, setzen implizite Grenzen, die durch einen Abgleich der Fähigkeiten von KI und der erforderlichen Fähigkeiten für die Verrechnungspreiserarbeitung deutlich werden. Es ist stets die Datenherkunft und das umfängliche Vorliegen von Daten zu prüfen, was bei offenen KISystemen nicht stets gewährleistet werden kann. Eine KI wird selten bis nie dieselbe Zuverlässigkeit bei der Datengrundlagenhaben, was die rechtssichere Anwendbarkeit wenigstens bei den Gewinnmethoden einschränkt. Insgesamt führen diese eher geringen Einschränkungen aber zu einem wenig risikobehafteten Einsatz innerhalb dieser Thematik.
Grunderwerbsteuer im Gesellschafterstreit — Eine Bestandsaufnahme
Authors: Wollweber Markus , Weigand Lara
Published: December 2024

Gesellschafterstreitigkeiten führen durch die stetig zunehmende Komplexität des Steuerrechts vielfach zu unliebsamen steuerlichen Folgen. Insbesondere wenn es um Zwangsmaßnahmen wie den Ausschluss eines Gesellschafters, die Einziehung von Geschäftsanteilen oder eine Zwangsabtretung geht, kann ein Gesellschafterstreit weitreichende steuerliche Folgen haben. Der Konflikt nimmt besonders dann an Komplexität zu, wenn die betroffene Gesellschaft über inländischen Grundbesitz verfügt. In solchen Fällen kann durch die Umstrukturierung die Grunderwerbsteuerpflicht nach den Ergänzungstatbeständen ausgelöst werden. Um eine solche ungewollte Steuerbelastung zu verhindern, beleuchtet der Aufsatz anhand von Beispielsfällen typische Praxiskonstellationen und versucht aufzuklären, ob eine Rückabwicklung unter Berücksichtigung steuerlicher Aspekte möglich ist. Dafür geht der Beitrag sowohl auf über Grundbesitz verfügende Kapitalgesellschaften als auch über Grundbesitz verfügende Personengesellschaften ein. I. Kapitalgesellschaften
Analytical Study Serving Technical Features Extraction and Classification for most recent Smartphone-based Sleep Monitoring Applications
Authors: Abdelaziz Nadir M.
Published: December 2024

Purpose: In this study; the author explains and shows the importance of selection and extraction the technical
features of Smartphones' apps regarding sleep-monitoring and sleep-analysis, and the technical features'
selection and extraction impact on simplifying the features classification based on the most important sleep
disorders screening and diagnosis symptoms.
Methods: by taking an in-depth analytical survey study and screening for most recent sleep-monitoring apps
through the period from June -to- September 2024, and enumerating the common technical features of the sleepmonitoring apps related to the screened symptoms of sleep disorders and sleep-analysis studies. The study's
author examined 145 of the most recent sleep-monitoring apps, and extracted the common technical features
related to the most concerning sleep-disorder screened symptoms, then classifies the extracted features into
categories. Moreover, the author conducted a statistical analysis for the extracted features to measure the number
and percentage of the most recent sleep-monitoring apps that offer those extracted and classified technical
features.
Results: a total of 145 most recent sleep-monitoring related apps were examined at first in the study which took
place during the period from June – to - September 2024 focusing on 22 major technical features of sleepmonitoring apps, 35 apps (24.14%) were excluded from the study due to irrelevant design purposes, while 12 apps
(8.27%) were excluded for duplication in the two major app stores (Apple Store and Google Play), then another
18 apps (12.41%) were excluded due to low usage and low rating during study period. At last, another 19 apps
(13.1%) were excluded from the study because they did not meet the designed requirement values of the sensors'
threshold-based features or pattern recognition-based features. Finally, 61 apps (42.07%) satisfied all the
applications' inclusion criteria, and statistical model built through the extracted technical features in the study.
Conclusions: despite that there are hundreds of approved smartphones' sleep-monitoring and analysis
applications; this analytical study evaluates, examines and analyzes the major common 22 technical features in
61 of the most recent apps with users' most highly rated apps in Apple and Google play stores with several
advantages and beneficial features, including smart alarms and sleep aids. However, an in-depth content review of apps that met the inclusion criteria revealed that sleep-monitoring applications can utilize more improvements in technical features design and implementation
Using Deep Learning Concept In Detection Of Various Deadly Diseases (Brain Tumor)
Authors: Jaiswal Neeraj , Choubey Sonu , . Amika , Sharma Divya
Published: December 2024

Early and accurate detection of deadly diseases from medical images is a major challenge in healthcare. In this
paper, we develop a new methodology to solve this problem by using “Generative Adversarial Networks (GANs),
Convolutional Neural Networks (CNNs) and Explainable Artificial Intelligence (XALI)” techniques. Using GANs
to generate high quality synthetic medi- cal images extends the limited training data baseline, allowing the CNN
model to improve performance. Next we designed our CNN model layered with multiple convolutional and pooling
layers that can classifies the images into different disease categories such as brain tumor. “XAI techniques, such
as Grad-CAM is incorporated to increase the understandable and transparency of the CNN model’s decision
making process.” Grad-CAM produces localization maps distinguishing the prominent regions of the input
images that are important for the classification. Combining GAN based data augmentation, CNN based image
classification and XAI powered explainability have synergistically integrated to produce a robust and reliable
detection system of deadly diseases from medical images. Overall, this research may serve as a major contribution to the field of medical imaging analysis and help towards designing more reliable, more impactful, AI driven diagnostic systems
Design Of Compensator Using Moment Matching Algorithm
Authors: . Monika , Mishra Sushansu Kumar
Published: December 2024

A novel method of model reduction was created for stable linear dynamic systems on a vast scale. The authors
have tried to preserve time moments and prevailing modes. Through this reduction, the overall significant
properties contained in the large-scale complete order model are translated into the lower order system,
enabling the generalized pole clustering approach to be used to compute the approximate denominator. The
factor division procedure is used to produce the approximate numerator. This leads to the creation of a lower
order system. Comparison research is carried out to show its efficacy, to emphasize some of its key
characteristics, and to achieve its correctness. The approximate model identified by the suggested method is
compared with the reduced order models computed from the recently proposed methods and well-known model
reduction schemes in two standard numerical instances. The design of the compensator employing the moment matching algorithm, and the simplified model is highlighted as well in the study. A classic numerical example from the literature is used to validate and illustrate the compensator design
Measurement Of Minor And Major Elements In Crops Samples At Jebel Mun Area Western Sudan
Authors: Amin Hamdi Abdelnabi Abdalla , Saleh Bakheit Mustafa Mohammed , Mohammed Athar
Published: December 2024

A study was carried out on the concentrations of constituent (major, minor and trace) elements present in crops
samples collected from different farmlands around Jebel Mun .The current study was designed to investigate
the potential human health risks associated with the consumption of crops, by X-ray Fluorescence (XRF)
spectroscopy was measured. The results showed that the maximum concentration of metals in crops samples in ppm determined were K(17484), Ca (3085), Ti (61.0),V (99.0), Mn (74.0), Co (32.0), Ni (3.00), Cu (1337) and Zn(237)
Measuring The Impact Of Some Foreign Agricultural Development Indicators In Iraq 1990-2022
Authors: Abd Miqdad Jassim , Mousa H. T. , Abdulhussain Ali J.
Published: December 2024

Agricultural foreign trade is considered one of the vital factors that affect economic growth and achieve food
security in Iraq in light of the economic changes that Iraq has witnessed since 1990, which requires studying the
impact of development indicators on agricultural foreign trade. In our contemporary era, it has become clear
that all economic activities and relations, whether productive or consumer, regardless of their form and type, are
closely linked to population growth and the development of the per capita share of national income. Whether
industrial, agricultural or social, they have an economic impact that affects and is affected by each other. The
increase in population or the increase in per capita income leads to an increase in demand for consumption of
all goods, especially those related to living, and from them it directly affects the local production process if there
is flexibility in the production structures or an increase in demand for foreign goods through imports. This is
clear in the study sample. We note that this increase was reflected in the increase in agricultural imports. The
results of the analysis of the long-term equation showed the insignificance of the independent variables, national
income and population growth, on the dependent variable, agricultural imports, as well as the insignificance of
national income and the insignificance of population growth on the dependent variable, agricultural exports. The
study recommends supporting the agricultural sector to achieve the required productivity, and the necessity of
keeping pace with the increase in Population growth by the competent authorities in a manner that is appropriate to the size of this increase, as well as following a policy of supporting the agricultural sector in a manner that is proportional to the national income to achieve balance in foreign trade
Supporting Sustainable Development Through Trade And Investment: A Blueprint For U.S.-Africa Collaboration
Authors: . .
Published: December 2024

This article examines how trade and investment are crucial in promoting sustainable development throughout
Africa, while also benefiting U.S. economic interests. With a focus on the U.S.-Africa collaboration, the paper
explores current trade and investment trends, the alignment of strategies with Sustainable Development Goals
(SDGs), and the identification of high-growth sectors such as renewable energy and digital infrastructure. It
highlights successful partnerships and examines the challenges posed by political, economic, and environmental
barriers, as well as competition from other global players like China and the European Union. The paper also
proposes actionable strategies, including blended finance models, public-private partnerships, and capacitybuilding initiatives, to strengthen collaboration. By leveraging U.S. technological expertise and prioritizing
transparency, these efforts can enhance Africa’s development trajectory while providing U.S. firms with access
to rapidly expanding markets. The paper emphasized the mutual benefits of deeper economic ties, highlighting the need for coordinated action by policymakers, businesses, and development institutions to create a sustainable and prosperous future for both regions
Effects of acidification on the proteome during early development of Babylonia areolata
Authors: Di Guilan , Li Yanfei , Zhu Guorong , Guo Xiaoyu , Li Hui , Huang Miaoqin , Shen Minghui , Ke Caihuan
Published: July 2019

Increases in atmospheric CO2 partial pressure have lowered seawater pH in marine ecosystems, a process called ocean acidification (OA). The effects of OA during the critical stages of larval development may have disastrous consequences for some marine species, including Babylonia areolata (Link 1807), a commercially important sea snail in China and South East Asia. To investigate how OA affects the proteome of Babylonia areolata, here we used label‐free proteomics to study protein changes in response to acidified (pH 7.6) or ambient seawater (pH 8.1) during three larvae developmental stages of B. areolata, namely, the veliger larvae before attachment (E1), veliger larvae after attachment (E2), and carnivorous juvenile snail (E3). In total, we identified 720 proteins. This result suggested that acidification seriously affects late veliger stage after attachment (E2). Further examination of the roles of differentially expressed proteins, which include glutaredoxin, heat‐shock protein 70, thioredoxin, catalase, cytochrome‐c‐oxidase, peroxiredoxin 6, troponin T, CaM kinase II alpha, proteasome subunit N3 and cathepsin L, will be important for understanding the molecular mechanisms underlying pH reduction.
Low Cost and High‐Aspect Ratio Micro/Nano Device Fabrication by Using Innovative Metal‐Assisted Chemical Etching Method
Authors: Van Toan Nguyen , Wang Xiaoyue , Inomata Naoki , Toda Masaya , Voiculescu Ioana , Ono Takahito
Published: July 2019

In this paper, the metal‐assisted chemical etching (MACE) method is presented along with the advantages of using this method. Large areas and a combination of large and narrow patterning areas are successfully produced by using metal meshes for MACE. Moreover, in order to exemplify this microfabrication technique, the authors demonstrate the fabrications of different microelectromechanical systems (MEMS) devices; from simple structure (micro‐cantilever) to a complex structure (capacitive silicon resonator). Micro‐cantilever beam with resonant frequency of 262 kHz and quality factor of 8100 is successfully fabricated using this technique. Narrow capacitive gap width together with silicon resonator structure is also microprocessed by MACE technique. For the capacitive resonator, nano gaps with 250 nm‐width and 7 μm‐height is successfully micro‐fabricated using MACE process on a silicon on insulator (SOI) wafer. The resonant peak of the fabricated device is found at 81.4 MHz with quality factor of 4000 and motional resistance of 89 kΩ. The MACE process is performed in the wet etching solution that enables the fabrication of anisotropic silicon structures. This paper demonstrates that MACE method could potentially replace dry etching technique currently used for the fabrication of various electronics and photonics devices and energy applications. Due to the ease of implementation and possibility of batch fabrication, MACE method is a promising technique for the manufacturing of a broad range of high‐quality Si‐based devices at low cost.
Second Harmonic Generation Investigation of Symmetry Breaking and Flexoelectricity Induced by Nanoindentations in SrTiO3
Authors: Kolhatkar Gitanjali , Nicklaus Mischa , Hadj Youssef Azza , Cojocaru Cristian , Rivard Maxime , Merlen Alexandre , Légaré François , Ruediger Andreas
Published: July 2019

Strain gradients induced by nanoindentations in bulk undoped strontium titanate (SrTiO3) are investigated. After indenting a 850 nm deep pattern on the SrTiO3 surface with a 8 GPa hardness and an 83 GPa indentation modulus by a Berkovich tip, the resulting deformation patterns are imaged by Raman spectroscopy and by second harmonic generation microscopy. Cross‐shaped compressively stressed regions along the cubic SrTiO3 primary slip planes are observed. These zones relax toward the unstrained bulk material through localized strain gradients on a length scale of several microns. Second harmonic tomography reveals the reduction of the crystal's centrosymmetry in the vicinity of the crosslike features due to a strain gradient. These results indicate the appearance of flexoelectricity following the nanoindentation process due to the creation of an inhomogeneous strain.
The Prospects for Biodegradable Zinc in Wound Closure Applications
Authors: Venezuela Jeffrey Jones D. , Johnston Sean , Dargusch Matthew Simon
Published: July 2019

Zinc is identified as a promising biodegradable metal along with magnesium and iron. In the last 5 years, considerable progress is made on understanding the mechanical properties, biodegradability, and biocompatibility of zinc and its alloys. A majority of these studies have focused on using zinc for absorbable cardiovascular and orthopedic device applications. However, it is likely that zinc is also suitable for other biomedical applications. In this work, the prospects for zinc in the fabrication of wound closure devices such as absorbable sutures, staples, and surgical tacks are critically assessed, with the aim of inspiring future research on biodegradable Zn for this medical application.
Molecular Design of Solid‐State Nanopores: Fundamental Concepts and Applications
Authors: Pérez‐Mitta Gonzalo , Toimil‐Molares María Eugenia , Trautmann Christina , Marmisollé Waldemar A. , Azzaroni Omar
Published: July 2019

Solid‐state nanopores are fascinating objects that enable the development of specific and efficient chemical and biological sensors, as well as the investigation of the physicochemical principles ruling the behavior of biological channels. The great variety of biological nanopores that nature provides regulates not only the most critical processes in the human body, including neuronal communication and sensory perception, but also the most important bioenergetic process on earth: photosynthesis. This makes them an exhaustless source of inspiration toward the development of more efficient, selective, and sophisticated nanopore‐based nanofluidic devices. The key point responsible for the vibrant and exciting advance of solid nanopore research in the last decade has been the simultaneous combination of advanced fabrication nanotechnologies to tailor the size, geometry, and application of novel and creative approaches to confer the nanopore surface specific functionalities and responsiveness. Here, the state of the art is described in the following critical areas: i) theory, ii) nanofabrication techniques, iii) (bio)chemical functionalization, iv) construction of nanofluidic actuators, v) nanopore (bio)sensors, and vi) commercial aspects. The plethora of potential applications once envisioned for solid‐state nanochannels is progressively and quickly materializing into new technologies that hold promise to revolutionize the everyday life.
A Trimodal Porous Cobalt‐Based Electrocatalyst for Enhanced Oxygen Evolution
Authors: Cao Zhen , Zhou Tingting , Chen Yan‐Li , Liu Jiangyun , Wang Dandan , Zhang Wei , Pang Su‐Seng , Zhao Yunfeng
Published: July 2019

Constructing porous electrodes with proper surface structures and mass‐transport channels is crucial for their high performance electrocatalytic applications such as oxygen evolution reaction (OER). Here a cobalt (Co)‐based hierarchical porous material (HP‐Co), which is realized through a scalable phase‐separation approach, is reported. Taking the advantage of a unique trimodal structure with macropores, mesopores, and micropores, the HP‐Co electrocatalysts exhibit better OER performance than general Co‐based nanoporous electrocatalysts due to more effective use of active sites. Meanwhile, this phase‐separation approach can be extended to prepare various hierarchically nanoporous electrocatalysts via facile doping with heteroatoms including Fe and Ni, to fine‐tune their surface properties and intrinsic activities.
Recent Advances and Prospects of Cathode Materials for Rechargeable Aqueous Zinc‐Ion Batteries
Authors: Chen Lineng , An Qinyou , Mai Liqiang
Published: July 2019

Electrochemical energy storage devices will definitely play a vital role in the future energy landscape of the world. The innovation of electrode materials is a key task for the breakthrough of present bottleneck faced by electrochemical energy storage devices. Aqueous zinc‐ion batteries (AZIBs) are gaining rapid attention, and they offer tremendous opportunities to explore the low‐cost, safe, and next‐generation green batteries for large‐scale stationary storage applications. In this review, the authors aim to give a comprehensive overview and summary of the recent progresses in cathode materials for AZIBs. Broadly, the authors classify the cathode materials for AZIBs into four groups: manganese‐based cathodes, vanadium‐based cathodes, Prussian blue analogs, and organic compounds. The reaction mechanisms, zinc storage properties, and several optimizing strategies of these cathode materials are summarized. Comparative observations of the main cathode families are discussed. Moreover, the emerging challenges and future research perspectives of cathode materials for AZIBs are proposed.
Electromagnetic and Chemical Enhancements of Surface‐Enhanced Raman Scattering Spectra from Cu2O Hexagonal Nanoplates
Authors: Liu Chang , Song Qichen , Chen Jianan , Li Xinhao , Cai Jingxuan , Lu Zhouguang , Li Wendi , Fang Nicholas X. , Feng Shien‐Ping
Published: July 2019

Surface‐enhanced Raman scattering (SERS) has been extensively studied, but quantifiable results on electromagnetic enhancement (EM) are primarily focused on noble metals; as for metal oxides, limited studies exist, and a common impression regarding Raman scatterings is not able to elaborate mechanisms involving EM and multiplicative chemical enhancements. Leveraging on the shape‐controlled synthesis of Cu2O, the hexagonal nanoplates exhibit a remarkable SERS activity and reproducible measurements, enabling a systematic investigation of the SERS mechanism of Cu2O. Here the shape‐dependent SERS activity is elaborated by applying finite‐difference time‐domain simulation; the dominant contributions to SERS activity ascribed to chemical‐bonding and charge‐transfer (CT) enhancements are investigated using ab initio calculation. As the example, it is shown that the chemisorption of 4‐aminothiophenol (PATP) on Cu2O nanoplates leads to the shift of highest occupied molecular orbital and lowest unoccupied molecular orbital levels, promoting efficient CT processes. The vibronic coupling of the conduction and valence bands of Cu2O with the molecular orbital of PATP further enhances the Raman scattering. This study on the combined EM and CT channels on Cu2O nanoplates is promising to identify a new group of SERS‐active substrates and advance the fundamental understanding of SERS mechanism, which also opens up a prospect of biocompatible and in situ diagnosis.
Layer‐Number‐Dependent Electronic and Optoelectronic Properties of 2D WSe2‐Organic Hybrid Heterojunction
Authors: Ji Jaehoon , Choi Jong Hyun
Published: July 2019

One of the most attractive features of 2D WSe2 is a tunability in its electronic and optoelectronic properties depending on the layer number. To harness such unique characteristics for device applications, high quality and easily processable heterojunctions are required and relevant layer‐number‐dependent properties must be understood. Herein, a study is reported on hybrid heterojunctions between 2D WSe2 and organic molecules from one‐step solution chemistry and their layer‐number‐dependent properties. Eosin Y (EY) dye is selected as a p‐dopant and uniformly stacked on mechanically exfoliated WSe2 flakes via van der Waals interaction, forming a hybrid heterojunction with a type II alignment. The EY‐WSe2 heterojunction shows significantly enhanced currents compared to pristine WSe2 with a lower barrier height and a longer effective screening length. The work function of the heterostructure is also lower than that of pristine WSe2. The efficient exciton dissociation and doping effect by EY are confirmed by photocurrent and photoluminescence measurements, where WSe2 emission is markedly quenched by EY and exciton contribution decreases with layer number. These findings shed critical insights into layer‐number‐dependent electronic and optoelectronic properties of organic‐WSe2 layers and also provide simple yet effective means to construct transition metal dichalcogenide‐based heterostructures, which should be valuable for developing layered 2D devices.
Formal [4+2] Cycloaddition of Vinyl Benzoxazinones with Oxazol‐5‐(4H)‐Ones for Diastereoselective Construction of 3,4‐Disubstituted Dihydro‐2(1H)‐Quinolinones
Authors: Zhao Hong‐Wu , Ding Wan‐Qiu , Guo Jia‐Ming , Wang Li‐Ru , Song Xiu‐Qing , Fan Xiao‐Zu , Tang Zhe , Wu Hui‐Hui , Bi Xiao‐Fan
Published: July 2019

Catalyzed by Pd2(dba)3.CHCl3 and PPh3, the formal [4+2] cycloaddition between vinyl benzoxazinones and oxazol‐5‐(4H)‐ones proceeded readily and delivered 3,4‐disubstituted dihydro‐2(1H)‐quinolinones in the reasonable chemical yields with excellent diastereoselectivities. The relative stereochemical configuration of the title products was unambiguously characterized with the use of X‐ray diffraction analysis.

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Laser‐Induced Nanodroplet Injection and Reconfigurable Double Emulsions with Designed Inner Structures
Authors: Guo Jin‐Kun , Hong Seung‐Ho , Yoon Hyun‐Jin , Babakhanova Greta , Lavrentovich Oleg D. , Song Jang‐Kun
Published: July 2019

Microfabrication of complex double emulsion droplets with controlled substructures, which resemble biological cells, is an important but a highly challenging subject. Here, a new approach is proposed based on laser‐induced injection of water nanodroplets into a liquid crystal (LC) drop. In contrast to the conventional top‐down microfluidic fabrication, this method employs a series of bottom‐up strategies such as nanodroplet injection, spontaneous and assisted coalescence, elastically driven actuation, and self‐assembly. Each step is controlled precisely by adjusting the laser beam, interfacial tension, and its gradients, surface anchoring, and elasticity of the LC. Whispering gallery mode illumination is used to monitor the injection of droplets. A broad spectrum of double emulsions with a predesigned hierarchical architecture is fabricated and reconfigured by temperature, laser‐induced coalescence, and injection. The proposed bottom‐up method to produce customized microemulsions that are responsive to environmental cues can be used in the development of drug delivery systems, biosensors, and functional soft matter microstructures.
Treatment and outcomes of arthrogryposis in the upper extremity
Authors: Oishi Scott , Agranovich Olga , Zlotolow Dan , Wall Lindley , Stutz Chris , Pajardi Giorgio , Novelli Chiara , Abdel Ghani Hisham , Jester Andrea , Vuillermin Carley , James Michelle , Manske Mary C. , Beckwith Terri
Published: July 2019

Upper extremity involvement in patients with arthrogryposis multiplex congentia is quite frequent. Treatment initially consists of stretching and splinting as significant gains can be seen in the first years of life. The goal of any surgical procedure is to improve upper extremity function and performance of daily living activities, yet it is important to treat each patient individually and understand that areas do not always need to be addressed surgically. Despite overall lower functioning scores in this patient population, quality of life scores are comparable to the general aged adjusted population. This article will discuss the clinical presentation, treatment procedures and outcomes when addressing the upper extremities of patients presenting with arthrogryposis.
Reevaluation of the body mass estimate for the KNM‐ER 5428Homo erectustalus
Authors: Cunningham Deborah L. , Rogers Melinda V. , Wescott Daniel J. , McCarthy Robert C.
Published: July 2019

Objectives

In this study, we reexamined the body mass estimate for theHomo erectusspecimen KNM‐ER 5428 based on talus dimensions. Previous estimates of >90 kg for this fossil are large in comparison to body mass estimates for otherH. erectusspecimens.

Materials and methods

The study sample consisted of tali and femora of 132 modern cadaver males from a documented body mass skeletal collection. We recorded the talus trochlear mediolateral (TTML) breadth and femoral head diameter (FHD) for each modern human specimen, and obtained KNM‐ER 5428's TTML values from the literature. We developed regression formulae based on TTML using the body mass estimated from FHD for the entire human sample and for known body masses from a normal‐BMI subsample, and then used these formulae to calculate body mass for KNM‐ER 5428. In addition, we examined the range of body masses for individuals with TTML measurements comparable to KNM‐ER 5428.

Results

The body masses of normal‐BMI individuals with a TTML ≥32.3 mm (the smaller of the two fossil measurements from the literature) ranged between 60.3 and 86.2 kg and averaged 72.3 kg. The body masses of normal‐BMI individuals with a TTML ≥33.7 mm (the larger measurement) ranged between 63.5 and 86.2 kg with a mean of 73.6 kg. The correlations between TTML and body mass are moderate. Revised body mass point estimates for KNM‐ER 5428 ranged between 69.2 and 81.6 kg based on TTML, and average 70.5 and 76.0 kg.

Discussion

Results suggest previously published body mass estimates of KNM‐ER 5428's are too large. Its body mass was likely between 70 and 76 kg rather than >90 kg.
Kommentar zu “Stabilisierung eines niedrigvalenten Eisen(I)‐Ions in einem hochvalenten molekularen Vanadium(V)‐Oxid‐Cluster”
Authors: Sproules Stephen
Published: July 2019

In einer kürzlich veröffentlichten Zuschrift in dieser Zeitschrift wurde über die Stabilisierung von niederwertigem Eisen(I) in einem vollständig oxidierten Polyoxovanadat berichtet. Ohne ein Argument für ein Ligandenfeld, das eine solche Zuordnung unterstützt, zeigt eine Neubewertung der Daten, zusammen mit einer detaillierten Computeranalyse, dass die Redoxchemie im Polyoxovanadat lokalisiert ist und während der Reduktion einen Spinübergang des Eisens auslöst.
Palladium‐Catalyzed Enantioselective Thiocarbonylation of Styrenes
Authors: Wang Xihong , Wang Bing , Yin Xuemei , Yu Wangzhi , Liao Yang , Ye Jialin , Wang Min , Hu Lianrui , Liao Jian
Published: July 2019

A highly enantioselective thiocarbonylation of styrenes with CO and thiols has been achieved by Pd catalysis, providing highly enantioenriched thioesters in good to excellent yields. Key to the successful execution of this reaction is the use of a chiral sulfoxide‐(P‐dialkyl)‐phosphine (SOP) ligands. This thiocarbonylation proceeds smoothly under mild reaction conditions (1 atm CO and 0 °C) and displays broad substrate scope. Also demonstrated is that this transformation can be conducted using surrogates of CO, greatly increasing the safety aspects of running the reaction. The generality and utility of the method is manifested by its application to the synthetic transformations of thioester products and the direct acylation of cysteine‐containing dipeptides. A primary mechanism was investigated and a plausible catalytic cycle was proposed.
Thermal Oxidation of Carbonaceous Nanomaterials Revisited: Evidence of Mechanism Changes
Authors: Picheau Emmanuel , Hof Ferdinand , Derré Alain , Daffos Barbara , Pénicaud Alain
Published: July 2019

Kinetic data, for example, activation energy and reaction order, are crucial for the understanding of chemical reactions and processes. Here, we describe a novel method for obtaining kinetic data based on thermogravimetric measurements (TGA) that exploits in each measurement multiple successive isothermal steps (SIS). We applied this method to the notoriously challenging carbon combustion process for vastly different carbons for oxygen molar fractions between 1.4 % and 90 %. Our obtained apparent EA values are within the wide range of results in the literature and vary in a systematic way with the oxygen partial pressure. The improved accuracy and large amount of obtainable data allowed us to show that the majority of experimentally obtained apparent data for apparent EA are neither in a kinetic regime nor in a diffusion‐controlled one but rather in a transition regime.
Discovery of a New Light–Molecule Interaction: Supracence Reveals What Is Missing in Fluorescence Imaging
Authors: Wan Wei , Li Alexander D. Q.
Published: July 2019

The currently understood principles about light–molecule interactions are limited, and thus scientific scope beyond current theories is rarely harvested. Herein we demonstrate supracence phenomena, in which the emitted photons have more energy than the absorbed photons. The extra energy comes from couplings of the absorbed and emitted photon to molecular phonons, whose potentials are constantly exchanging with molecular quantum energy and the environment. Thus, supracence is a linear optical process rather than a nonlinear optical process, such as second harmonic generation. Because supracence results in cooled molecular phonons and thus cooled molecules, behavior opposite to that of hot fluorescing emitters is expected. This report reveals certain supracence principles while contrasting fluorescence with supracence in high‐resolution imaging.
Cations Controlling the Chiral Assembly of Luminescent Atomically Precise Copper(I) Clusters
Authors: Jin Yan , Li Si , Han Zhen , Yan Bing‐Jie , Li Hai‐Yang , Dong Xi‐Yan , Zang Shuang‐Quan
Published: July 2019

Chiral assembly and asymmetric synthesis are critically important for the generation of chiral metal clusters with chiroptical activities. Here, a racemic mixture of [K(CH3OH)2(18‐crown‐6)]+[Cu5(StBu)6]− (1⋅CH3OH) in the chiral space group was prepared, in which the chiral red‐emissive anionic [Cu5(StBu)6]− cluster was arranged along a twofold screw axis. Interestingly, the release of the coordinated CH3OH of the cationic units turned the chiral 1⋅CH3OH crystal into a mesomeric crystal [K(18‐crown‐6)]+[Cu5(StBu)6]− (1), which has a centrosymmetric space group, by adding symmetry elements of glide and mirror planes through both disordered [Cu5(StBu)6]− units. The switchable chiral/achiral rearrangement of [Cu5(StBu)6]− clusters along with the capture/release of CH3OH were concomitant with an intense increase/decrease in luminescence. We also used cationic chiral amino alcohols to induce the chiral assembly of a pair of enantiomers, [d/l‐valinol(18‐crown‐6)]+[Cu5(StBu)6]− (d/l‐Cu5V), which display impressive circularly polarized luminescence (CPL) in contrast to the CPL‐silent racemic mixture of 1⋅CH3OH and mesomeric 1.
A Dynamic Hydrogen‐Bonded Azo‐Macrocycle for Precisely Photo‐Controlled Molecular Encapsulation and Release
Authors: Ye Zecong , Yang Zhiyao , Wang Lei , Chen Lixi , Cai Yimin , Deng Pengchi , Feng Wen , Li Xiaopeng , Yuan Lihua
Published: July 2019

A light‐responsive system constructed from hydrogen‐bonded azo‐macrocycles demonstrates precisely controlled propensity in molecular encapsulation and release process. A significant decrease in the size of the cavity is observed in the course of the E→Z photoisomerization based on the results from DFT calculations and traveling wave ion mobility mass spectrometry. These macrocyclic hosts exhibit a rare 2:1 host–guest stoichiometry and guest‐dependent slow or fast exchange on the NMR timescale. With the slow host–guest exchange and switchable shape change of the cavity, quantitative release and capture of bipyridinium guests is achieved with the maximum release of 68 %. This work underscores the importance of slow host–guest exchange on realizing accurate release of organic cations in a stepwise manner under light irradiation. The light‐responsive system established here could advance further design of novel photoresponsive molecular switches and mechanically interlocked molecules.
Ultrasound‐Activated Sensitizers and Applications
Authors: Lin Xiahui , Song Jibin , Chen Xiaoyuan , Yang Huanghao
Published: July 2019

Modalities for photo‐triggered anticancer therapy are usually limited by their low penetrative depth. Sonotheranostics especially sonodynamic therapy (SDT), which is different from photodynamic therapy (PDT) by the use of highly penetrating acoustic waves to activate a class of sound‐responsive materials called sonosensitizers, has gained significant interest in recent years. The effect of SDT is closely related to the structural and physicochemical properties of the sonosensitizers, which has led to the development of new sound‐activated materials as sonosensitizers for various biomedical applications. This Review provides a summary and discussion of the types of novel sonosensitizers developed in the last few years and outlines their specific designs and the potential challenges. The applications of sonosensitizers with various functions such as for imaging and drug delivery as well as in combination with other treatment modalities would provide new strategies for disease therapy.
Enhanced catalytic performance of Pd‐Ga bimetallic catalysts for 2‐ethylanthraquinone hydrogenation
Authors: Wang Yunhao , Peng Mao , Ye Chenliang , Gan Changna , Zhang Jinli , Guo Cuili
Published: July 2019

A series of Pd and Pd‐Ga bimetallic catalysts were prepared by a co‐impregnation method for 2‐ethylanthraquinone (EAQ) hydrogenation to produce hydrogen peroxide. Compared with 0.6Pd catalyst, the hydrogenation efficiency of 0.6Pd1.2Ga catalyst (11.9 g L−1) increases by 32.2%, and the stability of 0.6Pd1.2Ga catalyst is also higher than that of 0.6Pd catalyst. The structures of the samples were determined by N2 adsorption–desorption, ICP, XRD, CO chemisorption, TEM, H2‐TPR, in situ CO‐DRIFTS and XPS. The results suggest that incorporation of Ga species improves Pd dispersion and generates a strong interaction between Ga2O3 and Pd interface or between Pd and support. DFT calculation results indicate that the strong adsorption of carbonyl group on Ga2O3/Pd interface facilitates the activation of EAQ and promotes the hydrogenation efficiency.
N‐Doped Carbon Aerogel Derived from a Metal–Organic Framework Foam as an Efficient Electrocatalyst for Oxygen Reduction
Authors: Yi Jun‐Dong , Zhang Meng‐Di , Hou Ying , Huang Yuan‐Biao , Cao Rong
Published: July 2019

Metal–organic frameworks (MOFs) are promising alternative precursors for the fabrication of heteroatom‐doped carbon materials for energy storage and conversion. However, the direct pyrolysis of bulk MOFs usually gives microporous carbonaceous materials, which significantly hinder the mass transportation and the accessibility of active sites. Herein, N‐doped carbon aerogels with hierarchical micro‐, meso‐, and macropores were fabricated through one‐step pyrolysis of zeolitic imidazolate framework‐8/carboxymethylcellulose composite gel. Owing to the hierarchical porosity, high specific surface area, favorable conductivity, excellent thermal and chemical stability, the as‐prepared N‐doped carbon aerogel exhibits excellent oxygen reduction reaction (ORR) activity, long‐term durability, and good methanol tolerance in alkaline medium. This work thus provides a new way to fabricate new types of MOF‐derived carbon aerogels for various applications.
Copper nanocluster‐based fluorescence enhanced determination of d‐penicillamine
Authors: Ma Chunlei , Ren Wensheng , Tang Jianke , Wang Xiaoli , Ji Dongxin , Meng Rongqian , Zhang Cuihong , Wang Qi
Published: July 2019

Taking advantage of the compelling properties of d‐penicillamine (d‐PA) combined with copper, a method for the sensitive and selective determination of d‐PA was established using copper nanocluster (Cu NC)‐based fluorescence enhancement. d‐PA molecules containing a thiol compound showed a strong tendency to combine with the surface of Cu NCs, causing the re‐dispersion of nanoclusters and therefore fluorescence intensity was enhanced. Fluorescence enhancement efficiency of Cu NCs induced by d‐PA was linear, with the d‐PA concentration varying from 0.6–30 μg ml−1 (R2 = 0.9952) and with a detection limit of 0.54 μg ml−1. d‐PA content in human urine samples was detected with recoveries of 104.8–112.99%. Fluorescence‐enhanced determination of d‐PA using Cu NCs was established for the first time and this rapid, easy and sensitive method should attract much attention for this application.
Characterization of Gene Circuit Parts Based on Multiobjective Optimization by Using Standard Calibrated Measurements
Authors: Boada Yadira , Vignoni Alejandro , Alarcon‐Ruiz Iván , Andreu‐Vilarroig Carlos , Monfort‐Llorens Roger , Requena Adrián , Picó Jesús
Published: July 2019

Standardization and characterization of biological parts is necessary for the further development of bottom‐up synthetic biology. Herein, an easy‐to‐use methodology that embodies both a calibration procedure and a multiobjective optimization approach is proposed to characterize biological parts. The calibration procedure generates values for specific fluorescence per cell expressed as standard units of molecules of equivalent fluorescein per particle. The use of absolute standard units enhances the characterization of model parameters for biological parts by bringing measurements and estimations results from different sources into a common domain, so they can be integrated and compared faithfully. The multiobjective optimization procedure exploits these concepts by estimating the values of the model parameters, which represent biological parts of interest, while considering a varied range of experimental and circuit contexts. Thus, multiobjective optimization provides a robust characterization of them. The proposed calibration and characterization methodology can be used as a guide for good practices in dry and wet laboratories; thus allowing not only portability between models, but is also useful for generating libraries of tested and well‐characterized biological parts.