bluuebunny/crossref_metadata_2025 huggingface dataset:
Varietal Evaluation of Asiatic Lily (Lilium asiaticum) Under Prayagraj Shade Net Condition
Authors: Pillai Sneha T. , Bahadur Vijay , Prasad V. M.
Published: September 2022

The present investigation entitled, “Varietal evaluation of Asiatic Lily (Lilium asiaticum) under Prayagraj shade net condition” was under taken in the Department of Horticulture, Naini Agricultural Institute, Sam Higginbottom University of Agriculture, Technology and Sciences, Prayagraj, (Allahabad). During Rabi season (2021-2022). The experiment was layout in Randomized block design (RBD) with 07 varieties, replicated thrice. The varieties V3 (Beau Soleil)was found the statistically significant compared to other varieties combination, which recorded highest plant height (64.15 cm), Number of leaves (63.33 cm), Length of leaf (11.53 cm), Width of Leaf (2.31 cm), Flower bud appearance (30.73 days), Number of flower buds per shoot4.14), flower bud length(9.9 cm), Flower bud width (5.5 cm), Days taken for bud breaking (22.17 days), Days taken for first flower opening (49.63 days), Days taken for first flower opening (29.30 days), Width of Flower (16.87 cm),Length of Flower (12.80 cm), Flower stalk length (7.02 cm), Number of flowers per shoot (3.47), Weight of bulblets per plant (66.61 g), Number of bulblets per bulb (4.31), followed by V6 (Eremo).
Influence of Panchgavya and Jeevamrit on Growth, Yield and Quality of Tomato (Solanum lycopersicum L.)
Authors: Singh Premprakash , Deepanshu . , Fatmi Urfi
Published: September 2022

The experiment was conducted on “Influence Of Panchgavya And Jeevamrit On Growth, Yield And Quality Of Tomato (Solanum Lycopersicum L.)” during the period of October 2021 to March 2022 at Horticulture Research Farm, Department of Horticulture, Naini Agricultural Institute, Sam Higginbottom, University of Agriculture, Technology and Sciences, Prayagraj (Uttar Pradesh). The experiment was planned in a factorial randomized block design (FRBD) with three replications and nine treatments which comprised of T0-(RDF only), T1-(RDF + 2.5% Spray of Panchgavya), T2-(RDF + 4.5% Spray of Panchgavya), T3-( RDF + 7.5% spray of Jeevamrit), T4-( RDF + 10.5% spray of Jeevamrit), T5-(RDF + 2.5% Spray of Panchgavya+7.5% spray of Jeevamrit), T6-(RDF + 4.5% Spray of Panchgavya+10.5% spray of Jeevamrit), T7-(RDF + 2.5% Spray of Panchgavya+10.5% spray of Jeevamrit), T8-(RDF + 4.5% Spray of Panchgavya+7.5% spray of Jeevamrit), The treatments comprised of two different levels of panchgavya and jeevamrit in which the recommended dose of fertilizer (RDF N:P:K::120:100:80) was common and based on the interaction of both the bio-fertilizer various observations were recorded on various growth, quality and yield contributing characters. Based on the results obtained from the present investigation, it is concluded that the interaction of panchgavya 4.5% and jeevamrit 10.5% that is treatment T8 was superior followed by the interaction of panchgavya 4.5% and jeevamrit 7.5% that is treatment T6. In this investigation, the T8 was found most suitable for cultivation and getting better yield per hectare of tomatoes and best returns in terms of the economics of the crop with high net returns and Benefit-cost ratio.
Kadukkai- Terminalia chebula Retz. (Elixir of Rejuvenation) – A Gift of Siddha Medicine
Authors: Aishwarya A. , Priya B. K. , Elakkiyaa V. , Monika T. , Kumar P. N. Sushil , Mirunaleni P. , Chaithanya K. P. , Kiruthiga G. , Akila B.
Published: September 2022

Aim: Natural products which are gradually gaining importance because of its medicinal value in clinical research due to their well-known property of fewer or no side effects as compared to synthetic drugs. World Health Organization also advised the general public to focus on enhancing their immune system to prevent from getting affected by pandemic diseases.

Methodology: In the traditional Siddha system of Medicine, there is a concept known as, ‘Yegha Mooligai Prayogam’ (Yega – single, Mooligai – herb, and Prayogam – application) which deals with single herb and their clinical application. Polyherbal formulation were consisting of herbs, metals, and minerals but, single herb therapy is safe, convenient and economical. The concept of Single herb as a therapeutic agent is widely recognized nowadays. Kadukkai (Terminalia chebula Retz., Family: Combretaceae) possesses a great therapeutic value and it is widely distributed in all over the India. Siddha Kayakarpam (rejuvenation) therapy has been traditionally used in India for its immunomodulatory and adaptogenic effects and more recently has been included as a therapeutic adjuvant for several maladies. Amongst several other herbs, Kadukkai plays an important role in Kayakarpam therapy which balances the three bodily humors (Vatham, Pitham, and Kabam) or doshas that are the main reasons for illness. Kadukkai properties are known to support healthy bowel movements and gut health. Nowadays modern science also recognizes the gut as “the second brain” -perhaps the ancients recognized the relationship between a healthy gastrointestinal (GI) tract and clarity of mind.

Conclusion: Thereby, the single herb Kadukkai finds a special place, which has been compared as superior to the nursing mother. This study concluded that the consumption of Kadukkai in a certain way with various adjuvant in respective seasons will boost our immunity and helps to prevent diseases.
Prescription and Dispensing of Benzodiazepines in Times of the Covid-19 Pandemic in Brazil / Prescrição e dispensação de benzodiazepínicos em tempos de pandemia da covid-19 no brasil
Authors: Azevedo Ferreira Davi , Ithalo Francisco da Silva Pedro , Florêncio de Azevedo Maria Renata , Rodrigo Ricardo de Sousa Jaelson , Lígia Wanderlei de Azevedo Regina
Published: September 2022

Objetivo: teve como objetivo analisar a prevalência da prescrição e dispensação de benzodiazepínicos (BDZ’s) nas capitais brasileiras, nos 1°s trimestres de 2020 e 2021, considerando a pandemia da COVID-19. Método: é um estudo epidemiológico, exploratório, quantitativo, documental e retrospectivo que investigou dados do Sistema Nacional de Gerenciamento de Protocolos Controlados (SNGPC). Utilizou-se da estatística descritiva e testes de associação para as análises dos dados, pelo programa Software Statistical Package for the Social Sciences (SPSS). Além disso, foi realizado o cálculo da prevalência da dispensação. Resultados: a dispensação de alprazolam e clonazepam tem maior prevalência. A região Sudeste apresenta maior prevalência de dispensação (1° trimestre de 2020 n = 7098,74; 1° trimestre de 2021 n =6849,77), seguida do Sul (1° trimestre de 2020 n = 5939,6; 1° trimestre de 2021 n=5616,16). Conclusão: sendo assim, não houve aumento significativo para dizer que há prescrição e dispensação de BDZ’s entre os anos analisados.
What Is Polio?
Authors: Walter Kristin , Malani Preeti N.
Published: September 2022

This JAMA Patient Page discusses polio, including its epidemiology, prevention, and symptoms.
Co‐Polarized Second Harmonic Generation Induced by Ferroelectric Domains and Domain Wall Arrays
Authors: Gao Han , Chen Chao , You Lu , Sun Fei , Lu Chengliang , Yang Sijie , Zhou Guofu , Chen Deyang , Han Yibo , Liu Jun‐Ming
Published: September 2022

Optical second harmonic generation (SHG) is a sensitive and powerful technique to probe various symmetry breaking, especially ferroelectric/magnetic domains, in artificial thin films or heterostructures. In a wide range of ferroelectric crystals, a non‐trivial broken symmetry will emerge at domain boundaries, however, the contribution of such symmetry breaking to SHG is often neglected due to its random orientation. Here, a co‐polarized SHG effect from the well‐aligned domain wall arrays is observed in BiFeO3 thin films. This SHG component is highly dependent on the local orientation of the wall arrays, and its polarization feature reveals the Néel‐like evolution of electric polar vectors in the wall region. Based on this intriguing effect, mixed‐phase patches with four possible orientations in the quasi‐tetragonal stripes are identified by polarization‐sensitive SHG mapping. These findings not only clarify a critical SHG contribution in this multiferroic material, but also demonstrate an optical approach for exploring phase‐determined function unit.
Electromechanical Modeling of Rolling Spherical Triboelectric Nanogenerators Considering Nonlinear Effects
Authors: Han Qinkai , Jiang Ziyuan , Shao Qingyang , Gao Shuai , Chu Fulei
Published: September 2022

In this study, electromechanical coupling modeling and analysis of the rolling spherical triboelectric nanogenerators (RS‐TENG) considering nonlinear effects are conducted. After a brief review of the power generation mechanism, a capacitance‐fitting model of the RS‐TENG spherical electrode is proposed. By using the energy principle and differential equations of equivalent circuits, an electromechanical coupling model is established by considering the nonlinear variation in the dielectric sphere rolling angle. Using the harmonic balance method (HBM), the dynamic output characteristics of the RS‐TENG are analytically solved. Numerical integration and dynamic tests are used to verify the accuracy of HBM results. By comparing the changes in the RS‐TENG output performance with and without the nonlinear effect, it is shown that the model proposed in this study can effectively avoid the underestimation of the operation bandwidth (a relative increment of 43%) and overestimation of the maximum power density (a relative decrement of 32%), and significantly improve the accuracy of the RS‐TENG performance estimation. The influence of design parameters on the dynamic output characteristics of the system is discussed. The fitting coefficients obtained from the parameter influence discussion can be used as the basis for the RS‐TENG output performance design.
On farm evaluation of preplant soil test P and K in double‐crop soybeans
Authors: Reed Vaughn , Souza Joao Luis Bigatão , Lofton Josh , Arnall Brian
Published: September 2022

Many producers in the southern Great Plains choose to plant summer crops immediately following the harvest of winter crops to increase farm revenue. The practice, referred to as double cropping, is often done with limited inputs to reduce economic risk. The study aims to evaluate soil testing as an indicator of a nutrient response in double‐crop (DC) soybean [Glycine max (L.) Merr.] across Oklahoma. Nutrient‐rich strips of phosphorus (P) and potassium (K) were applied at 49 sites across Oklahoma in 2016 and 2017. Soil test values across all sites of extractable P and K ranged from 3 to 96 and 56 to 374 mg kg–1, respectively. At crop maturity, subplots were hand harvested from each strip as well as from the farmer practice strip (FPS) collected outside of the plot area. Over half (58%) of the total comparisons throughout this study were noted as those that could have positive yield response: 44 locations for P and 13 for K. Soil test results and critical values were most accurately able to correctly identify the locations that would not respond to the additional nutrient inputs, as out of 98 total comparisons, only seven unexpectedly yielded a significant response. Predicting response was found to be especially difficult, as only six of the 57 comparisons expected to be responsive yielded a response. Unpredictability of responses could be attributed to low‐yielding environments as well as the complexity of soil nutrient pool and plant availability relationship. This work highlights the challenges in predicting the response to nutrients in a DC system based upon soil test analysis.
Distributionally robust optimization for the closed‐loop supply chain design under uncertainty
Authors: Ge Congqin , Zhang Lifeng , Yuan Zhihong
Published: September 2022

The closed‐loop supply chain network (CLSCN) contains reverse flows that collect products from customers and recycle or remanufacture usable parts. The CLSCN design problem is becoming more and more prominent under the context of Sustainable Development and Circular Economy. Parameters associated with a CLSCN including customer demands, transportation costs, or disposal rates are usually subject to uncertainty. Furthermore, natural or man‐made disruptions may cause part of the CLSCN to malfunction. We herein propose a hybrid stochastic and distributionally robust optimization (DRO) approach to hedge against discrete disruption scenarios and uncertain customer demands. We also tailor a Benders decomposition‐based algorithm to efficiently solve the resulting large‐scale mixed integer linear programming reformulations. Computational experiments demonstrate that the proposed algorithm can outperform commercial solvers such as CPLEX, and the DRO approach can produce solutions with low average costs and low variance in out‐of‐sample tests.
Wasserstoffbrücken‐modulierte Nukleofugalität von SeIII‐Spezies ermöglicht photoredox‐katalytische Semipinakol‐Prozesse
Authors: Park Sooyoung , Dutta Amit K. , Allacher Carina , Abramov Anton , Dullinger Philipp , Kuzmanoska Katerina , Fritsch Daniela , Hitzfeld Patrick , Horinek Dominik , Rehbein Julia , Nuernberger Patrick , Gschwind Ruth M. , Breder Alexander
Published: September 2022

Die Aktivierung chemischer Bindungen mittels H‐Brücken‐Wechselwirkungen zwischen elektronegativen Elementen wie z. B. Stickstoff und Sauerstoff stellt eine hoch wirkungsvolle Taktik in der modernen Katalyseforschung dar. Dem gegenüber sind artverwandte Katalyseverfahren, in denen schwerere, weniger elektronegative Elemente wie Selen an der Ausbildung von H‐Brücken beteiligt sind, beispielsweise zur oxidativen Aktivierung angrenzender C‐Se
‐Bindung, praktisch unerforscht. Klassische Strategien zur Erhöhung der Nukleofugalität von Selanylgruppen beruhen auf der oxidativen Addition von Elektrophilen an SeII‐Zentren, was in der Regel die Eliminierung der resultierenden SeIV‐Spezies zur Folge hat. Katalytische Verfahren, in denen diese SeIV‐Nukleofuge substituiert anstatt eliminiert werden, sind sehr selten und waren bislang nicht auf die Knüpfung von C‐C‐Bindungen anwendbar. Wie in der vorliegenden Arbeit erstmals gezeigt wird, können durch die Kombination von O−H⋅⋅⋅Se H‐Brücken‐Wechselwirkungen und katalytischer Einelektronenoxidation stabilisierte SeIII‐Nukleofuge erzeugt werden, die die Bildung neuer C‐C‐
‐Bindungen mittels einer Typ I Semipinakol‐Umlagerung in hoher Ausbeute und ausgezeichneter Selektivität ermöglichen.
Photoredox‐Catalyzed Deoxygenation of Hexafluoroacetone Hydrate Enables Hydroxypolyfluoroalkylation of Alkenes
Authors: Xie Zhen‐Zhen , Zheng Yu , Yuan Chu‐Ping , Guan Jian‐Ping , Ye Zhi‐Peng , Xiao Jun‐An , Xiang Hao‐Yue , Chen Kai , Chen Xiao‐Qing , Yang Hua
Published: September 2022

An unprecedented photoredox‐catalyzed phosphine‐mediated deoxygenation of hexafluoroacetone hydrate was established to accomplish the hydroxylpolyfluoroalkylation of electron‐deficient alkenes. A range of bis(trifluoromethyl)carbinols were facilely accessed by using readily available hexafluoroacetone hydrate, instead of toxic gaseous hexafluoroacetone. A range of electron‐deficient alkenes are tolerated, giving the corresponding hydro‐hydroxylpolyfluoroalkylated products in moderate to high yields. Remarkable features of this synthetic strategy include operational simplicity, mild reaction conditions, excellent regioselectivity, and broad functional group tolerance. The success of this strategy relies on the delicate utilization of aldehyde/ketone‐gem‐diol intrinsic equilibrium, which offers an innovated open‐shell pathway for the assembly of synthetically challenging polyfluoroalkylated scaffolds.
Asymmetric Construction of an Aryl‐Alkene Axis by Palladium‐Catalyzed Suzuki–Miyaura Coupling Reaction
Authors: Qiu Sheng‐Qi , Chen Yu , Peng Xiang‐Jun , He Shi‐Jiang , Cheng Jun Kee , Wang Yong‐Bin , Xiang Shao‐Hua , Song Jun , Yu Peiyuan , Zhang Junmin , Tan Bin
Published: September 2022

The application of Suzuki–Miyaura coupling reaction to forge the atropisomeric biaryls has seen remarkable progress but exploration of this chemistry to directly forge chiral C(aryl)‐C(alkene) axis is underdeveloped. The replacement of arene substrates by alkenes intensifies the challenges in terms of reactivity, configurational atropostability of product and selectivity control. By meticulous ligand design and fine‐tuning of reaction parameters, we identified a highly active 3,3′‐triphenylsilyl‐substituted phosphite ligand to realize arene‐alkene Suzuki–Miyaura coupling of hindered aryl halides and vinyl boronates under very mild conditions. The axially chiral acyclic aryl‐alkenes were generated in commendable efficiency, enantioselectivity andE/Zselectivity.
Steuerung der ultraschnellen Öffnungs‐ und Schließungsdynamik eines photochromen Koordinationskäfigs durch Gastmoleküle
Authors: Artmann Kevin , Li Ru‐Jin , Juber Selina , Benchimol Elie , Schäfer Lars V. , Clever Guido H. , Nuernberger Patrick
Published: September 2022

Photochemische Studien über supramolekulare Wirte, die kleine Gastmoleküle einkapseln können, konzentrieren sich zumeist auf drei Aspekte: Die Photoschaltung des Käfigs, um den Gast freizusetzen oder einzufangen, die Wirkung der Käfigumgebung auf den Gast und die lichtinduzierte Exzitonen‐ oder Ladungsübertragung innerhalb der Käfigstruktur. Hier nutzen wir ultraschnelle Spektroskopie, um zu untersuchen, wie der Gast die Photoschaltcharakteristik des Käfigs verändert. Zu diesem Zweck werden die Auswirkungen von drei unterschiedlichen Gastmolekülen auf die Ringöffnung oder den Ringschluss eines Dithienylethen (DTE)‐Liganden in einem photoschaltbaren Koordinationskäfig auf DTE‐Basis einander gegenübergestellt. Der Gast moduliert sowohl das Ergebnis als auch die Zeitskala der Photodynamik des Käfigs durch ein Zusammenspiel von struktureller Wechselwirkung, dem Schweratomeffekt und einer Verstärkung von Ladungstransferprozessen, die der Gast auf den photoangeregten Käfig ausübt. Der Ansatz könnte sich als nützlich erweisen, um die Anwendbarkeit von photoschaltbaren Nanocontainern und gewünschten Gastverbindungen aufeinander abzustimmen.
Temperature‐ and pH‐Responsive Polymeric Photocatalysts for Enhanced Control and Recovery
Authors: Li Rong , Landfester Katharina , Ferguson Calum T. J.
Published: September 2022

The emergence of heterogeneous photocatalysis has facilitated redox reactions with high efficiency, without compromising the recyclability of the photocatalyst. Recently, stimuli‐responsive heterogeneous photocatalytic materials have emerged as a powerful synthetic tool, with simple and rapid recovery, as well as an enhanced dynamic control over reactions. Stimuli‐responsive polymers are often inexpensive and easy to produce. They can be switched from an active “on” state to an inert “off” state in response to external stimuli, allowing the production of photocatalyst with adaptability, recyclability, and orthogonal control on different chemical reactions. Despite this versatility, the application of artificial smart material in the field of heterogeneous photocatalysis has not yet been maximized. In this Minireview, we will examine the recent developments of this emerging class of stimuli‐responsive heterogeneous photocatalytic systems. We will discuss the synthesis route of appending photoactive components into different triggerable systems and, in particular, the controlled activation and recovery of the materials.
Co‐compartmentalization of Enzymes and Cofactors within Pickering Emulsion Droplets for Continuous‐Flow Catalysis
Authors: Wei Wei , Ettelaie Rammile , Zhang Xiaoming , Fan Min , Dong Yue , Li Zebiao , Yang Hengquan
Published: September 2022

Co‐immobilization of enzymes and cofactors in a manner suitable for use in continuous flow catalysis remains a great challenge because of the difficulty in ensuring the free accessibility of immobilized enzymes and cofactors. Herein, we present a continuous flow catalysis system based on co‐compartmentalization of enzymes and cofactors within Pickering emulsion droplets, enabling regeneration of cofactors within the droplets. As exemplified by enzyme‐catalyzed ketone enantioselective reduction and enantioselective transamination, our systems exhibit long‐term stability (300–400 h), outstanding total turnover number (TTN, 59204 mol mol−1) and several‐fold enhancement in the enzyme catalytic efficiency (CEe) in comparison to conventional biphasic reactions. As well as giving insight into the co‐compartmentalization effects, our system will provide the opportunity to significantly advance continuous‐flow biocatalysis towards the level of practical applications.
Waterborne pathogens treatment using biosynthesized silver‐mordenite nanocomposites in aqueous propolis extracts: Characterization and antibacterial activity
Authors: Mohammed Samir Osman , Alhakimi Ahmed Noman
Published: September 2022

This paper deals with the preparation of silver/mordenite nanocomposite using aqueous propolis extract along with different concentrations of silver nitrate. The study of the prepared samples' structural properties gave two possibilities for the nanocomposite formation process, and this was confirmed by the UV–visible absorption spectrum and the energy‐dispersive X‐ray spectroscopy. Unexpectedly, the decrease in the size of these nanocomposites (14–21 nm) showed a non‐linear behavior with increasing silver nitrate concentration because of the presence of propolis during urbanization, and this was explained using the results of the transmission electron microscopy images and X‐ray diffraction. The Ag/mordenite nanocomposites showed the effective ability to eliminate the two types of bacteria (Gram‐positive [Staphylococcus aureus] and Gram‐negative [Escherichia Coli]). As well, these nanocomposites demonstrated with simple experiments the removal efficiency of some dyes pollutants (such as methylene blue, methyl orange, malachite green, indigo, and Congo red) from aqueous solutions. These results were explained in this article.
Cu‐catalyzed Synthesis of Quinolines by Dehydrogenative Reaction of 2‐Aminobenzyl Alcohol and Ketones: A Combined Experimental and Computational Study
Authors: Tuan Ha Minh , Thi Nguyen Nina , Huyen Tran Ngoc , Viet Ho Quoc , Thi Son Nguyen , Nguyen Van Ha , Nguyen Hien , Van Do Dang , Quang Hung Tran , Khanh Mai Binh , Thanh Dang Tuan
Published: September 2022

Quinoline derivatives are important moieties in bioactive molecules and advanced materials. However, an efficient strategy to synthesize quinoline derivatives remains challenging. Herein, we describe an efficient and practical method for the synthesis of quinolines by Cu‐catalyzed cyclization of 2‐amino benzyl alcohol with ketones (or secondary alcohols) via an acceptorless dehydrogenation pathway. Interestingly, a range of highly functionalized quinolines is prepared in good yields using low catalyst loading under relatively mild conditions. Furthermore, density functional theory (DFT) calculations are carried out to investigate mechanistic insights for the acceptorless dehydrogenation pathway.
The impact of transformational leadership on supplier relational stability: The moderating role of automation and globalization
Authors: Hiebl Martin R. W. , Pielsticker David I.
Published: September 2022

Stable relationships with suppliers have been portrayed in the literature as having several economic and sustainability benefits. However, while a buyer firm's transformational leadership can be theorized to improve stable supplier relations, recent global business trends such as automation and globalization may endanger this stability. In this study, we therefore analyze the relationship between a buyer firm's transformational leadership and supplier relational stability and examine whether it is moderated by the buyer firm being affected by automation and globalization. We test our assumptions using data from a survey of German Mittelstand firms and confirm the moderating roles of automation and globalization. Our study therefore provides an updated and more nuanced understanding of how transformational leadership can affect supplier relational stability. Our findings also provide indications of how sustainable supplier relations can be achieved.
Computational Insights into the Catalytic Mechanism of Is‐PETase: An Enzyme Capable of Degrading Poly(ethylene) Terephthalate
Authors: Shrimpton‐Phoenix Eugene , Mitchell John B. O. , Bühl Michael
Published: September 2022

Is‐PETase has become an enzyme of significant interest due to its ability to catalyse the degradation of polyethylene terephthalate (PET) at mesophilic temperatures. We performed hybrid quantum mechanics and molecular mechanics (QM/MM) at the DSD‐PBEP86‐D3/ma‐def2‐TZVP/CHARMM27//rev‐PBE‐D3/dev2‐SVP/CHARMM level to calculate the energy profile for the degradation of a suitable PET model by this enzyme. Very low overall barriers are computed for serine protease‐type hydrolysis steps (as low as 34.1 kJ mol−1). Spontaneous deprotonation of the final product, terephthalic acid, with a high computed driving force indicates that product release could be rate limiting.
Brønsted Acid versus Phase‐Transfer Catalysis in the Enantioselective Transannular Aminohalogenation of Enesultams
Authors: Luis‐Barrera Javier , Rodriguez Sandra , Uria Uxue , Reyes Efraim , Prieto Liher , Carrillo Luisa , Pedrón Manuel , Tejero Tomás , Merino Pedro , Vicario Jose L.
Published: September 2022

We have studied the enantioselective transannular aminohalogenation reaction of unsaturated medium‐sized cyclic benzosulfonamides by using both chiral Brønsted acid and phase‐transfer catalysis. Under optimized conditions, a variety of bicyclic adducts can be obtained with good yields and high enantioselectivities. The mechanism of the reaction was also studied by using computational tools; we observed that the reaction involves the participation of a conformer of the nine‐membered cyclic substrate with planar chirality in which the stereochemical outcome is controlled by the relative reactivity of the two pseudorotational enantiomers when interacting with the chiral catalyst.
Solid‐State Emission and Aggregate Emission of Aroyl‐ S,N‐Ketene Acetals Are Controlled and Tuned by Their Substitution Pattern
Authors: Biesen Lukas , Woschko Dennis , Janiak Christoph , Müller Thomas J. J.
Published: September 2022

Aroyl‐S,N‐ketene acetals are a novel highly diverse class of aggregation‐induced emission fluorogens (AIEgens) with a plethora of interesting properties. An expanded compound library of more than 110 dyes set the stage for the first qualitative control and tuneability of all aspects of their photophysical properties. The interplay of substituents not only allows tuning and prediction of the emission color, but also of the intensity, and quantum yields both in solids and in the aggregated state; these can be rationalized by scrutinizing intermolecular interactions in the crystalline solid state.
Synthesis and dissolution behaviour of nateglinide‐nicotinamide cocrystals by simple slurry crystallization
Authors: Yu Guojia , Yu Hui , Li Xiangrong , Qu Yixin , Ren Zhongqi , Zhou Zhiyong
Published: September 2022

Pharmaceutical cocrystals have received increasing attention in improving drug physicochemical properties. Here, we successfully synthesized a cocrystal of nateglinide (a non‐sulphonylurea hypoglycemic agent) and nicotinamide by slurry crystallization. The cocrystal formation was confirmed by powder X‐ray diffraction, differential scanning calorimetry, and Fourier‐transform infrared spectroscopy. The density functional theory calculation at the theoretical level of B3LYP/6–31 + G (d, p) revealed that the hydrogen bonding site of the cocrystal was formed between the carboxyl group of nateglinide and the amide bond of nicotinamide. Moreover, the cocrystal showed improved dissolution capacity in 3 pH buffers, which provides an opportunity for rapid absorption of the active ingredient.
HLA‐A*24:02 increase the risk of allopurinol‐induced drug reaction with eosinophilia and systemic symptoms in HLA‐B*58:01 carriers in a Korean population; a multicenter cross‐sectional case‐control study
Authors: Kim Mi‐Yeong , Yun James , Kang Dong‐Yoon , Kim Tae Hee , Oh Min‐Kyung , Lee Sunggun , Kang Min‐Gyu , Nam Young‐Hee , Choi Jeong‐Hee , Yang Min‐Suk , Han Seung Seok , Lee Hajeong , Cho Hyun‐Jai , Yang Jaeseok , Oh Kook‐Hwan , Kim Yon Su , Jung Jae Woo , Lee Kye Hwa , Kang Hye‐Ryun
Published: September 2022

Background

HLA‐B*58:01 is a well‐known risk factor for allopurinol‐induced severe cutaneous adverse reactions (SCARs). However, only a minority of HLA‐B*58:01 carriers suffer SCARs after taking allopurinol. The aim of this study was to investigate subsidiary genetic markers that could identify those at further increased risk of developing allopurinol‐induced drug reaction with eosinophilia and systemic symptoms (DRESS) in subjects with HLA‐B*58:01.

Methods

Subjects with B*58:01 were enrolled (21 allopurinol‐induced DRESS and 52 allopurinol‐tolerant control). HLA‐A, ‐B, ‐C and ‐DRB1 alleles were compared. Comparison of risk between HLAs and allopurinol‐induced SCAR in separate populations was performed to support the results. Kruskal‐Wallis test, Pearson's chi‐square test, Fisher's exact test and binary logistic regression were used to analyze the risk of SCAR development.

Results

Frequencies of A*24:02 (71.4 vs. 17.3%, p < 0.001, odds ratio [OR] = 12.0; 95% confidence interval [CI], 3.6–39.2) were significantly higher in B*58:01 (+) DRESS than B*58:01 (+) tolerant controls. In addition, DRB1*13:02 further increased the risk of DRESS. The phenotype frequency of A*24:02/DRB1*13:02 was significantly higher in the B*58:01 (+) DRESS group than in the B*58:01 (+) tolerant controls (52.4% vs. 5.8%, p < 0.001, OR, 66.0; 95% CI, 6.1–716.2). In 2782 allopurinol user cohort, the overall prevalence of DRESS was 0.22%, which increased to 1.62% and 2.86% in the presence of B*58:01 and B*58:01/A*24:02, respectively.

Conclusion

The additional secondary screening with A*24:02 and DRB1*13:02 alleles may identify those at further increased risk of allopurinol‐induced DRESS in B*58:01 carriers.
Multivalent Benzamidine Molecules for Plasmin Inhibition: Effect of Valency and Linker Length
Authors: Nallan Chakravarthula Tanmaye , Zeng Ziqian , Alves Nathan J.
Published: September 2022

There is an emerging interest in utilizing synthetic multivalent inhibitors that comprise of multiple inhibitor moieties linked on a common scaffold to achieve strong and selective enzyme inhibition. As multivalent inhibition is impacted by valency and linker length, in this study, we explore the effect of multivalent benzamidine inhibitors of varying valency and linker length on plasmin inhibition. Plasmin is an endogenous enzyme responsible for digesting fibrin present in blood clots. Monovalent plasmin(ogen) inhibitors are utilized clinically to treat hyperfibrinolysis‐associated bleeding events. Benzamidine is a reversible inhibitor that binds to plasmin's active site. Herein, multivalent benzamidine inhibitors of varying valencies (mono‐, bi‐ and tri‐valent) and linker lengths (∼1–12 nm) were synthesized to systematically study their effect on plasmin inhibition. Inhibition assays were performed using a plasmin substrate (S‐2251) to determine inhibition constants (Ki). Pentamidine (shortest bivalent) and Tri‐AMB (shortest trivalent) were the strongest inhibitors with Ki values of 2.1±0.8 and 3.9±1.7 μM, respectively. Overall, increasing valency and decreasing linker length, increases effective local concentration of the inhibitor and therefore, resulted in stronger inhibition of plasmin via statistical rebinding. This study aids in the design of multivalent inhibitors that can achieve desired enzyme inhibition by means of modulating valency and linker length.
On the security of fully homomorphic encryption for data privacy in Internet of Things
Authors: Peng Zhiniang , Zhou Wei , Zhu Xiaogang , Wu Youke , Wen Sheng
Published: September 2022

To achieve data privacy in Internet of Things (IoT), fully homomorphic encryption (FHE) technique is used to encrypt the data while allowing others to compute on the encrypted data. However, there are many well‐known problems with FHE such as chosen‐ciphertext attack security and circuit privacy problem. In this article, we demonstrate that a famous FHE application named Brakerski/Fan–Vercauteren scheme, a circuit privacy application based on fast private set intersection, and an encoding application that encodes integer or floating point numbers based on Microsoft Simple Encryption Arithmetic Library homomorphic encryption library, are insecure against chosen ciphertext attacks due to insecurity of the underlying fully homomorphic schemes. These results show that using cryptographic primitives even with security proofs causes serious security vulnerabilities on the applications themselves. The results also give evidences that the security of adopted cryptographic primitives in IoT should be proved in appropriate formal security models as well as proof of the scheme itself.
Ni2Se3−CuSex Heterostructure as a Highly Efficient Bifunctional Electrocatalyst for Urea‐Assisted Hydrogen Generation
Authors: Li Kaixun , Xie Binbin , Feng Dongmei , Tong Yun
Published: September 2022

Coupling urea oxidation reaction (UOR) with hydrogen evolution reaction (HER) is an attractive alternative anode reaction for electrochemical hydrogen generation with low energy consumption. However, the development of highly efficient bifunctional electrocatalysts is still a challenge. In this work, Ni2Se3−CuSex heterostructure was synthesized on copper foam (Ni3Se2@CuSex/CF) by electrodeposition accompanied by a selenization process. Benefiting from the abundant active sites, faster reaction kinetics, and modulated electronic structure, the self‐supporting Ni3Se2@CuSex/CF electrode exhibited superior catalytic performance. Extremely low overpotentials of 120 and 140 mV were achieved at the current density of 100 mA cm−2 for HER/UOR, respectively. Respectively, in HER||UOR coupled electrolyzer for H2 generation, the Ni3Se2@CuSex/CF||Ni3Se2@CuSex/CF delivered a low cell voltage of 1.49 V to reach a high current density of 100 mA cm−2 along with good stability, outperforming most of the other well‐developed materials to date. The rational design of coupled heterostructure as bifunctional electrodes is a promising approach for energy‐saving H2 production.
microRNA‐200c overexpression in cancer‐associated fibroblasts reduces the invasive properties of breast tumour cells
Authors: Shenavar Nasim , Shariati Laleh , Hakimian Mohammad Reza , Makvandi Pooyan , Javanmard Shaghayegh Haghjooy
Published: September 2022

Cancer‐associated
fibroblasts (CAFs) play a critical role in supporting tumour cells in all aspects of cancer development, such as cell proliferation, migration and angiogenesis. MicroRNAs (miRNAs) as regulatory molecules regulate the genes contributing to cell growth, differentiation, migration and apoptosis. According to the literature, miR‐200c, as a tumour suppressor, has low expression levels in CAFs. In this investigation, the effect of miR‐200c overexpression was evaluated on proliferation, migration and angiogenesis of triple‐negative breast cancer (TNBC) cells. The fibroblasts were isolated from normal and cancerous breast tissue. MiR‐200c expression was assessed using real‐time polymerase chain reaction in cancer‐associated and normal fibroblasts. Then, the effect of miR‐200c transfection on proliferation, migration and angiogenesis of TNBC cells was evaluated. Our results confirm that in the presence of miR‐200c transfected fibroblasts, the proliferation, migration and angiogenesis of cancer cells significantly decreased. This effect could be attributed to the reduction of growth factors provided by cancer‐associated fibroblasts after miRNA dysregulation. These results propose that miR‐200c acts as an effective tumour suppressor in many aspects of TNBC development and can be considered a potential therapeutic tool for breast cancer in the next generation of pharmaceutics.
Spatial variations in sediment production and surface transformations in subtropical fluvial basins (Caculuvar River, south‐west Angola): Implications for the composition of sedimentary deposits
Authors: Cruz Armanda Trindade , Dinis Pedro Alexandre , Lucic Mavro , Gomes Alberto
Published: September 2022

Several compositional features of sedimentary deposits can be used to reconstruct environmental conditions of source areas. In this research, bulk X‐ray diffraction mineralogy, heavy and clay mineral assemblages and geochemistry obtained for modern deposits of the Cunene River and its tributaries Caculuvar–Mucope are integrated with geological/geomorphological characteristics of respective catchment areas to evaluate to what extent sediment production is spatially variable and source materials are differently affected by exogenous transformations. Detrital sources can be classified into four main types based on sediment composition: felsic, mafic, recycled and mixed. Source contributions obtained with unmixing models using distinct input data reveal some disagreements, with heavy mineral assemblages pointing to higher mafic contribution and bulk XRD‐mineralogy favouring the recycled sedimentary component. However, the three datasets coincide showing a lower supply from the Kalahari Basin than the large outcropping areas of its sedimentary units would suggest, which is attributed to the relatively low rainfall and relief in this region. Where multiple depositional cycles are involved in sediment production the composition of the river deposits, even their clay fractions, will not reflect coeval weathering transformations and an under‐estimation of the mafic component probably occurs. This research reveals how exogenous processes may deviate the composition of the produced sediment from a simple weighted by outcropping area average of the source units and compromise (palaeo)environmental interpretations based on sediment composition.
Palladium(II) Complexes of (2,6‐Dibenzhydryl‐4‐methylphenyl)diphenyl‐phosphane: Synthesis, Structural Studies, and Catalytic Arylation of Imidazoles Under Aerobic Conditions
Authors: Pandey Madhusudan K. , Sonawane Sachin C. , Mondal Dipanjan , Kote Basvaraj S. , Balakrishna Maravanji S.
Published: September 2022

The synthesis and structural studies of palladium(II) complexes of sterically demanding mono‐phosphine Ar*PPh2 (1) (Ar*=2,6‐dibenzhydryl‐4‐methylphenyl) are described. The reactions of 1 with [Pd(COD)Cl2] and [Pd(η3‐C3H5)Cl]2 in 2 : 1 molar ratios afforded mononuclear complexes trans‐[PdCl2{(PPh2Ar*)‐κ1‐P}2] (2) and [Pd(η3‐C3H5)Cl{(PPh2Ar*)‐κ1‐P}] (3), respectively. Both the complexes have been fully characterized through NMR spectroscopy, elemental analyses, and single‐crystal X‐ray analysis. The molecular structures of 2 and 3 showed C−H⋅⋅⋅π interactions between methine hydrogen of one of the Ph2CH groups with the centroid of one of the phenyl rings of the PPh2 group. Complex 2 also showed intramolecular π⋅⋅⋅π stacking interactions between the phenyl rings of Ph2CH and PPh2 groups. In addition, complex 2 also showed C−H⋅⋅⋅Pd anagostic interaction between the methine hydrogen of one of the Ph2CH groups and the palladium center. The palladium complex 2 is found to be an efficient catalyst for the direct C‐5 arylation of imidazole derivatives under aerobic conditions.
Computer‐aided scenario design using participatory backcasting: A case study of sustainable vision creation in a Japanese city
Authors: Kishita Yusuke , Masuda Takuma , Nakamura Hidenori , Aoki Kazumasu
Published: September 2022

Designing backcasting scenarios is a powerful approach to the development of sustainable visions and pathways for governments or enterprises in the early stage of their policy‐making or strategic decision‐making process. To date, a number of scholars have proposed various backcasting methods, in which workshops are often used to reflect the voices of stakeholders. However, it is still a challenge to test the validity of scenarios because the process of designing backcasting scenarios is not transparent or shared among involved stakeholders. This also prevents reusing knowledge and intermediate outputs generated during the scenario design process. To solve these problems, this paper aims to develop a method for supporting a backcasting scenario design by introducing computational assistance. A scenario design support system called the sustainable society scenario (3S) simulator is used to visualize a scenario's logical sequence of the scenario in graph format. To demonstrate the proposed method, a case study for the city of Toyama, a Japanese municipality, was performed using three workshops with citizen participation. The results showed that two different scenarios, involving future visions and associated pathways, were developed by reflecting the diversified values of local citizens. The usage of the 3S simulator visualized the logical relations of the described scenarios, which consist of five blocks—problem definition, subgoals to achieve visions, measures to attain these subgoals, verification, and conclusions. This visualization is effective to increase the verifiability and reusability of the scenarios for evidence‐based policy‐making processes.
Simple algorithm to narrow down the candidates to receive echocardiography in patients with chronic liver disease for suspected pulmonary hypertension
Authors: Yamashita Koji , Kurosaki Masayuki , Nakanishi Hiroyuki , Tanaka Yuki , Ishido Shun , Inada Kento , Kirino Sakura , Hayakawa Yuka , Matsumoto Hiroaki , Nobusawa Tsubasa , Kakegawa Tatsuya , Higuchi Mayu , Takaura Kenta , Tanaka Shohei , Maeyashiki Chiaki , Kaneko Shun , Tamaki Nobuharu , Yasui Yutaka , Tsuchiya Kaoru , Takahashi Yuka , Miyazaki Ryoichi , Ashikaga Takashi , Enomoto Nobuyuki , Izumi Namiki
Published: September 2022

Aims

Portopulmonary hypertension (PoPH) is a subtype of pulmonary arterial hypertension related to portal hypertension. The definitive diagnosis of PoPH is made by invasive right heart catheterization. Alternatively, pulmonary arterial hypertension may be recognized noninvasively from the tricuspid regurgitant pressure gradient (TRPG), measured by echocardiography. In this study, we aimed to establish a simple algorithm to identify chronic liver disease patients with a high TRPG value in order to narrow down the candidates to receive echocardiography.

Methods and Results

TRPG was measured by echocardiography in 152 patients with chronic liver disease. Factors predictive of TRPG >30 mmHg were investigated. There were 28 (18%) cases with TRPG >30 mmHg. Independent factors associated with a high TRPG were the presence of shortness of breath, high serum brain natriuretic peptide (BNP), and low serum albumin. Child–Pugh class or the presence of ascites, varices, or encephalopathy was not associated with TRPG. There was a correlation between the serum BNP and TRPG, and the optimal cutoff value of BNP by the Youden index was 122 pg/mL, and by 100% sensitivity was 50 pg/mL. A combination of these factors identified patients with a high probability of TRPG >30 mmHg (n = 12, positive predictive value [PPV] of 83%), no probability (n = 80, PPV 0%), and intermediate probability (n = 60, PPV 25–34%). This algorithm has reduced the number of patients needing echocardiography by 53%.

Conclusions

A simple algorithm using the presence of shortness of breath, serum BNP, and albumin levels can narrow down the candidates to receive echocardiography.
Race, age, and sex differences on the influence of obesity on colorectal cancer sidedness and mortality: A national cross‐sectional study
Authors: Ulanja Mark B. , Ntafam Carnot , Beutler Bryce D. , Antwi‐Amoabeng Daniel , Rahman Ganiyu A. , Ulanja Reginald N. , Mabrouk Tarig , Governor Samuel B. , Djankpa Francis T. , Alese Olatunji B.
Published: September 2022

Background and Objectives

Colorectal cancer (CRC) sidedness is recognized as a prognostic factor for survival; left‐sided colorectal cancer is associated with better outcomes than right‐sided colon cancer (RsCC). We aimed to evaluate the influence of obesity on CRC sidedness and determine how race, age, and sex affect mortality among overweight and obese individuals.

Methods

A survey‐weighted analysis was conducted using data obtained from the National Inpatient Sample between 2016 and 2019.

Results

Of the 24 549 patients with a diagnosis of CRC and a reported body mass index (BMI), 13.6% were overweight and 49.9% were obese. The race distribution was predominantly non‐Hispanic Whites (69.7%), followed by Black (15.6%), Hispanic (8.7%), and other race (6.1%). Overweight (BMI: 25−29.9) and obese (BMI: ≥30) individuals were more likely to have RsCC (adjusted OR [aOR] = 1.28; 95% CI: 1.17−1.39, p < 0.001 and aOR = 1.45; 95% CI: 1.37−1.54, p < 0.001, respectively). Obese Black individuals were more likely to have RsCC as compared to their White counterparts (aOR = 1.23; 95% CI: 1.09−1.38).

Conclusions

Obesity is associated with an increased risk of RsCC. In addition, racial disparities in CRC sidedness and outcomes are most pronounced among obese patients.
988 call volume, wait times improved compared with last year
Authors: Canady Valerie A.
Published: September 2022

In the days following an announcement by the U.S. Department of Health and Human Services (HHS) that use of the 988 suicide and crisis lifeline, launched July 16, increased in call volume by 45%, along with improved answer rates and wait times compared with the 10‐digit National Suicide Prevention Lifeline one year ago, suicide prevention and mental health experts gathered to discuss the evolution of 988, its impact on individuals, and hopes for the future.
New results on model reconstruction of Boolean networks with application to gene regulatory networks
Authors: Zhao Rong , Wang Biao , Han Lei , Feng Jun‐e , Wang Hongkun
Published: September 2022

This paper is dedicated to solving the model reconstruction problem of Boolean networks (BNs) based on incomplete information. By resorting to semi‐tensor product, the issue of finding logical functions is converted into designing corresponding structure matrices. In line with desired attractors, two circumstances, standard BNs and delayed BNs, are taken into consideration, and several new results are presented. For the model reconstruction of standard BNs, an algebraic condition is put forward and an algorithm is developed for reconstructing unknown logical functions. For the model reconstruction of delayed BNs, an augmented system is deduced, based on which, several criteria and the corresponding algorithm are proposed. Finally, as an application to gene regulatory networks, the results obtained in this paper are used to analyze the WNT5A network and the apoptosis network.
Spicy Food and Chili Peppers and Multiple Health Outcomes: Umbrella Review
Authors: Ao Zhimin , Huang Zongyue , Liu Hong
Published: September 2022

Spicy foods and chili peppers contain the primary ingredient capsaicin, which has potential health benefits. However, their efficacy in some health outcomes is also fiercely disputed, and some side effects have been confirmed. To assess the quality and strength of the associations between spicy food and chili pepper consumption and different health outcomes. An umbrella review is performed in humans. Eleven systematic reviews and meta‐analyses with a total of 27 findings are identified. The health effect of consuming spicy food and chili peppers is unclear. Furthermore, the characteristics and context of different world regions and populations should be carefully considered. Direct correlations exist in esophageal cancer, gastric cancer, and gallbladder cancer. However, negative connections are reported in metabolism, mortality, and cardiovascular disease. Dose–response analysis reveals a significant nonlinear relationship between gastric cancer risk and capsaicin intake. The consumption of spicy foods and chili peppers is typically safe. However, high‐quality proof is available to confirm this conclusion.