bluuebunny/crossref_metadata_2025 huggingface dataset:
Assessment of Municipal Solid Waste Management Practices in Akure, Ondo State, Nigeria
Authors: Ogungbade Oladapo Michael , Ali Butu William , Kilani Abdulganiyu Oriola , Oladehinde Gbenga John , Akeju Tolulope Joy
Published: August 2020

Rapid urbanization and uncontrolled population growth in the city of Akure create a huge generation of municipal solid waste (MSW) and waste management authority has not been able to manage it properly. This has led to inefficient waste collection methods, insufficient coverage of the collection system and improper disposal of solid waste. This paper investigated municipal solid waste management practices in Akure, Ondo State, Nigeria. Simple random sampling was used in selecting 392 respondents within the eight districts in the study area. Information was collected on socio-economic characteristics of the respondents; nature and compositions of municipal solid waste and solid waste management practices in the study area. The study showed that female respondents (58.2%) were more than male (41.8%) in the study area. Also, a larger proportion of the respondents earned above N40,000 per month. More than one-third of the respondents (37.8%) created squander from vegetable and food remains, next to this were plastic (19.1%), paper (8.2%) and metal waste (6.6%). Further findings showed that the majority of the respondents (66%) do not segregate waste before disposal while the wastebasket was commonly preferred to collect waste due to its affordability. The study concluded that despite the establishment of waste management authority, most of the wastes collected was not sorted before disposal while the majority of the respondents preferred to burn their waste. The study recommended that government and non-governmental organizations should pay much attention to the issue of waste management in the area as waste was not properly managed.
The First and Second Zagreb Index of Complement Graph and Its Applications of Molecular Graph
Authors: Alsharafi Mohammed S. , Shubatah Mahioub M. , Alameri Abdu Q.
Published: August 2020

In this paper, some basic mathematical operation for the second Zagreb indices of graph containing the join and strong product of graph operation, and the rst and second Zagreb indices of complement graph operations such as cartesian product G1 G2, composition G1 G2, disjunction G1 _ G2, symmetric dierence G1 G2, join G1 + G2, tensor product G1  G2, and strong product G1 G2 will be explained. The results are applied to molecular graph of nanotorus and titania nanotubes.
Agronomic and Physiological Response of Rice Plant to Application of Silica from Different Sources
Authors: Dwipa Indra , Setiawan Ryan Budi , Suliansyah Irfan , Azwardi Dedi
Published: August 2020

Aims: The research aimed to study the response of agronomy and physiology of rice plant to different silica sources.

Study Design:  Completely randomized design.

Place and Duration of Study: The research was conducted in screen house of Faculty of Agriculture, Andalas University, Padang, Indonesia from April to December 2018.

Methodology: Completely randomized design was used in the assay. The treatment was 10 Si sources (No silica, Si 1 ppm, Si 2 ppm, Si 3 ppm, husk charcoal 50 g/plant, husk charcoal 100 g/plant, husk charcoal 150 g/plant, husk ash 50 g/plant, husk ash 100 g/plant, husk ash 150 g/plant). The variety was Anak Daro. Each treatment was replied 3 times so that 30 experimental units were obtained. The data was analysed by using F test in 5% and followed by Duncan’s Multiple Range Test (DNMRT) in 5%. The data analysis using software Statistic Tool for Agricultural Research (STAR).

Results: Silica sources affected the agronomic and physiological characters of rice plant. 2,3 ppm of silica, 100 and 150 g of husk charcoal and 100 g of husk ash were the best silica source for plant height. 3 ppm silica affected the number of tiller of rice plant. In number of chlorophyll, 150 g of husk ash affected the number of chlorophyll A and the silica sources did not affect the number of chlorophyll B.

Conclusion: The sources of silica affected the agronomic and physiological response of rice plant which can be useful for rice cultivation in the region.
KESIAPAN GEREJA-GEREJA ANGGOTA SINODE GKJ DALAM PENERAPAN RENCANA OPERASIONAL SISTEM INFORMASI MANAJEMEN TERPADU
Authors: Restyandito Restyandito , Susanto Budi , Proboyekti Umi , Virginia Gloria
Published: August 2020

Sinode GKJ menyadari bahwa Teknologi Informasi dan Komunikasi harus dimanfaatkan secara optimal untuk mendukung pelayanan di Sinode, Klasis, maupun setiap Gereja-gereja Kristen Jawa. Seperti yang telah tertuang dalam dokumen Rencana Operasional (Renop) penerapan Recana Strategis Pengembangan Sistem Informasi Manajemen Terpadu (Renstra SIMT) Sinode GKJ, pada periode 2019 telah ditetapkan untuk pembaruan infrastruktur dan web Sinode GKJ. Tim menyadari bahwa sumber daya manusia yang ada saat ini tidak mencukupi untuk melaksanakan Renop yang telah ditetapkan. Oleh sebab itu tahap awal dari penerapan Renstra Pengembangan SIMT adalah memetakan kondisi infrastruktur dan kesiapan gereja-gereja dan klasis di lingkungan Sinode GKJ. Berdasarkan hasil pemetaan tersebut tim dapat melakukan pelatihan dan pembekalan yang diperlukan agar penerapan Renstra Pengembangan SIMT dapat terlaksana dengan baik.  Hasil awal yang diperoleh dari 49 sampel gereja menunjukkan bahwa ukuran jemaat mempengaruhi kesiapan gereja. Juga ditemukan bahwa aksesibilitas ke teknologi informasi (seperti ketersediaan komputer dan internet) tidak mencerminkan kesiapan gereja karena yang diperlukan dalam memanfaatkan teknologi informasi adalah perubahan paradigma dalam perilaku organisasi dan kesiapan sumber daya manusia yang ada
PENYULUHAN MESIN PENIRIS MINYAK KERIPIK PISANG
Authors: Mufti Moh. , Santoso Edi , Maulana M. Sahrul
Published: August 2020

Abstraksi            Buah pisang adalah salah satu buah potensial di Desa Galengdowo, yang dapat berbuah sepanjang tahun. Hasil panen pisang mencapai ± 10 ton / tahun. Selama panen massal, terutama mangga, harga pisang turun sehingga petani mengalami kerugian besar. Akibatnya, solusi alternatif diperlukan untuk mengatasi masalah ini, yaitu dengan mengolah pisang menjadi keripik pisang, yang telah diprakarsai oleh beberapa kelompok pengrajin keripik pisang di desa Galengdowo. Masalah yang dihadapi oleh pengrajin adalah kapasitas produksi yang rendah, karena masih menggunakan metode manual, terutama terkait dengan pengeringan minyak dari wajan dan penimbangan keripik pisang. Mayoritas penduduk adalah petani & peternak sapi perah dengan tingkat pendidikan rendah (rata-rata lulusan SMP dan SMA). Dengan penyuluhan dan bantuan 1 unit TTG mesin spinner peniris minyak keripik pisang kapasitas 5 kg dan 1 unit timbangan digital dari tim, para pengrajin akan dapat meningkatkan kapasitas produksinya sehingga manfaat yang diperoleh akan lebih besar, dengan produksi keripik pisang yang enak, kering dan renyah, yang dapat diproduksi terus menerus. Sehingga akan dapat meningkatkan pendapatan pengrajin keripik pisang di Desa Galengdowo.Kata kunci: keripik pisang, mesin spinner, kapasitas produksi
UV‐B Resistance of Plants Grown in Natural Conditions
Authors: Pescheck Frauke , Bilger Wolfgang
Published: August 2020

Plants protect themselves against potentially harmful effects of solar ultraviolet‐B radiation by a variety of mechanisms conferring UV‐B resistance. The underlying resistance mechanisms of a plant can be acclimated corresponding to the prevailing UV‐B exposure in their habitat such that under natural conditions UV‐B damage does not seem to exist. UV‐B resistance is not only induced by UV‐B radiation but to a large extent also by other environmental factors. Here, we review current evidence on how abiotic variables, e.g. low temperature or water deficit, affect UV‐B resistance mechanisms. We are focusing on acclimation of UV‐B screening through the accumulation of UV absorbing compounds, which is well investigated, and on the removal of UV‐B‐induced DNA damage by repair. Although the latter is a resistance mechanism specifically directed to UV‐B‐induced damage, it is strongly underinvestigated. Interaction of UV‐B radiation and other environmental factors can occur at the level of signal transduction chains, most often leading to cross‐resistance. Additionally, the influence of environmental conditions on physiological reactions may lead either to cross‐resistance or cross‐sensitivity.
An Over‐Coupled Phase‐Change Metasurface for Efficient Reflection Phase Modulation
Authors: Park Junghyun , Kim Soo Jin , Landreman Patrick , Brongersma Mark L.
Published: August 2020

An over‐coupled, thermally tunable metasurface reflect‐array that employs the phase change material Ge2Sb2Te5 (GST) is presented. The metasurface is constructed from gap plasmon cavities in which GST is incorporated as the active switching medium. Upon annealing at 200 °C for 10 min, the GST layer undergoes a transition from the amorphous state to the crystalline state, and this leads to a unity‐order increase of the refractive index. This is accompanied by a spectral shift of 1.6 µm in the resonance wavelength of the plasmonic cavities, larger than their resonance linewidth of 1.2 µm. It is shown that the low material absorption of the GST layer enables operation of the metasurface in the desirable over‐coupled regime. The numerical analysis indicates that this facilitates large changes in the reflection phase (up to 270°) and amplitude. The work opens the possibility of creating efficient reconfigurable metasurfaces for various applications, including holographic displays and image sensors.
Decarboxylative Borylation of Stabilized and Activated Carbon Radicals
Authors: Zhang Qiang , Li Xiaojuan , Zhang Weigang , Ni Shengyang , Wang Yi , Pan Yi
Published: August 2020

Redox‐active esters (RAEs) as active radical precursors have been extensively studied for C−B bond formations. However, the analogous transformations of stabilized radicals from the corresponding acid precursors remain challenging owing to the strong preference towards single‐electron oxidation to the stable carbocations. This work describes a general strategy for rapid access to various aliphatic and aromatic boronic esters by mild photoinduced decarboxylative borylation. Both aryl and alkyl radicals could be generated from the leaving group‐assisted N‐hydroxybenzimidoyl chloride esters, even α‐CF3 substituted substrates could be activated for further elaboration.
Amphiphilic Triblock Copolymers Containing Polypropylene as the Middle Block
Authors: Yan Tianwei , Guironnet Damien
Published: August 2020

The synthesis of stereoregular telechelic polypropylene (PP) and their use to access triblock amphiphilic copolymers with the PP block located in the center is described. The strategy consists of selectively copolymerizing propylene and a di‐functional co‐monomer (1,3‐diisopropenylbenzene) to yield a α,ω‐substituted polypropylene. Initiation of the copolymerization favors insertion of DIB over propylene; propagation steps favor insertion of propylene. Termination via a chain‐transfer reaction yields the terminal unsaturation of the polymer. The telechelic polypropylene is then converted into α,ω‐hydroxyl‐terminated polypropylene and used as a macroinitiator for the synthesis of triblock copolymers. Water‐soluble amphiphilic triblock polymers are also synthesized. The use of catalytic reactions simultaneously provides the stereocontrol of the polypropylene and high productivity (multiple chains of block copolymer per metal center).
Engineering the Charge‐Transfer State to Facilitate Spin–Orbit Charge Transfer Intersystem Crossing in Spirobis[anthracene]diones
Authors: Lv Meng , Yu Yang , Sandoval‐Salinas María E. , Xu Jianhua , Lei Zuhai , Casanova David , Yang Youjun , Chen Jinquan
Published: August 2020

Spiro conjugation has been proposed to dictate the efficiency of charge transfer, which could directly affect the spin–orbit charge transfer intersystem crossing (SOCT‐ISC) process. However, this process has yet to be exemplified. Herein, we prepared three spirobis[anthracene]diones, in which two benzophenone moieties are locked in close proximity and differentially functionalized to fine‐tune the charge transfer state. Its feasibility for SOCT‐ISC was theoretically predicted, then experimentally evaluated. Through fine‐tuning the spiro conjugation coupling and varying the solvent dielectric constants, ISC rate constants were engineered to vary in a dynamic range of three orders of magnitude, from 7.8×108 s−1 to 1.0×1011 s−1, which is the highest ISC rate reported for SOCT‐ISC system to our knowledge. Our findings substantiate the key factors for effective SOCT‐ISC and offer a new avenue for the rational design of heavy atom free triplet sensitizers.
Jahn–Teller Disproportionation Induced Exfoliation of Unit‐Cell Scale ϵ‐MnO2
Authors: Jiang Yilan , Yuan Long , Wang Xiyang , Zhang Wei , Liu Jinghai , Wu Xiaofeng , Huang Keke , Li Yefei , Liu Zhipan , Feng Shouhua
Published: August 2020

Exfoliation of non‐layered (structurally) bulk materials at the nanoscale is challenging because of the strong chemical bonds in the lattice, as opposed to the weak van der Waals (vdW) interactions in layered materials. We propose a top‐down method to exfoliate ϵ‐MnO2 nanosheets in a family of charge‐ordered La1−xAExMnO3 (AE=Ca, Sr, Ba) perovskites, taking advantage of the Jahn–Teller disproportionation effect of Mn3+ and bond‐strength differences. ϵ‐MnO2 crystallized into a nickel arsenide (NiAs) structure, with a thickness of 0.91 nm, displays thermal metastability and superior water oxidation activity compared to other manganese oxides. The exfoliation mechanism involves a synergistic proton‐induced Mn3+ disproportionation and structural reconstruction. The synthetic method could also be potentially extended to the exfoliation of other two‐dimensional nanosheet materials with non‐layered structures.
Suppression of Formylation Provides an Alternative Approach to Vacant Codon Creation in Bacterial In Vitro Translation
Authors: Liu Minglong , Thijssen Vito , Jongkees Seino A. K.
Published: August 2020

Genetic code reprogramming is a powerful approach to controlled protein modification. A remaining challenge, however, is the generation of vacant codons. We targeted the initiation machinery of E. coli, showing that restriction of the formyl donor or inhibition of the formyl transferase during in vitro translation is sufficient to prevent formylation of the acylated initiating tRNA and thereby create a vacant initiation codon that can be reprogrammed by exogenously charged tRNA. Our approach conveniently generates peptides and proteins tagged N‐terminally with non‐canonical functional groups at up to 99 % reprogramming efficiency, in combination with decoding the AUG elongation codons either with native methionine or with further reprogramming with azide‐ and alkyne‐containing cognates. We further show macrocyclization and intermolecular modifications with these click handles, thus emphasizing the applicability of our method to current challenges in peptide and protein chemistry.
Single‐Electron Transfer in Frustrated Lewis Pair Chemistry
Authors: Holtrop Flip , Jupp Andrew R. , Kooij Bastiaan J. , van Leest Nicolaas P. , de Bruin Bas , Slootweg J. Chris
Published: August 2020

Frustrated Lewis pairs (FLPs) are well known for their ability to activate small molecules. Recent reports of radical formation within such systems indicate single‐electron transfer (SET) could play an important role in their chemistry. Herein, we investigate radical formation upon reacting FLP systems with dihydrogen, triphenyltin hydride, or tetrachloro‐1,4‐benzoquinone (TCQ) both experimentally and computationally to determine the nature of the single‐electron transfer (SET) events; that is, being direct SET to B(C6F5)3 or not. The reactions of H2 and Ph3SnH with archetypal P/B FLP systems do not proceed via a radical mechanism. In contrast, reaction with TCQ proceeds via SET, which is only feasible by Lewis acid coordination to the substrate. Furthermore, SET from the Lewis base to the Lewis acid–substrate adduct may be prevalent in other reported examples of radical FLP chemistry, which provides important design principles for radical main‐group chemistry.
Chiral Bicyclo[2.2.2]octane‐Fused CpRh Complexes: Synthesis and Potential Use in Asymmetric C−H Activation
Authors: Li Guozhu , Yan Xiaoqiang , Jiang Jijun , Liang Hao , Zhou Chao , Wang Jun
Published: August 2020

A new class of chiral cyclopentadienyl rhodium(I) complexes (CpRhI) bearing C2‐symmetric chiral bridged‐ring‐fused Cp ligands was prepared. The complexes were successfully applied to the asymmetric C−H activation reaction of N‐methoxybenzamides with quinones, affording a series of chiral hydrophenanthridinones in up to 82 % yield with up to 99 % ee. Interestingly, structure analysis reveals that the side wall of the optimal chiral CpRhI catalyst is vertically more extended, horizontally less extended, and closer to the metal center in comparison with the classic binaphthyl and spirobiindanyl CpRhI complexes, and may thus account for its superior catalytic performance.
Total Synthesis of Kopsinitarine E
Authors: Nagaraju Karre , Ni Dongshun , Ma Dawei
Published: August 2020

Kopsinitarines A–E are complex octacyclic caged Kopsia alkaloids with strained cage skeletons and a unique cyclic hemiaminal bridge that makes total synthesis challenging. Herein, we disclose the first total synthesis of kopsinitarine E. The key synthetic features include a SmI2‐mediated radical cascade cyclization and a subsequent semi‐pinacol rearrangement to install the key carbocyclic skeleton, a chemoselective hydrosilyl amide reduction to construct the hemiaminal ether bridge, and an intramolecular Mannich reaction to establish the highly strained cage system.
Population genetic divergence of bonnethead sharks Sphyrna tiburo in the western North Atlantic: Implications for conservation
Authors: Díaz‐Jaimes Píndaro , Bayona‐Vásquez Natalia J. , Escatel‐Luna Elena , Uribe‐Alcocer Manuel , Pecoraro Carlo , Adams Douglas H. , Frazier Bryan S. , Glenn Travis C. , Babbucci Massimiliano
Published: August 2020

Sharks are a priority for conservation because numerous species, including small‐sized coastal species, are being heavily exploited by commercial and recreational fisheries. Understanding the genetic population structure of sharks is key to effective management, maximizing their evolutionary potential in a rapidly changing environment and preventing population declines.

Limited dispersal is an important factor promoting population divergence for several coastal shark species. The genetic variation in 14 microsatellite loci and 21,006 single nucleotide polymorphisms genotyped using restriction‐site‐associated DNA sequencing was analysed to assess the genetic structure of the bonnethead shark, Sphyrna tiburo, in the western North Atlantic.

Genetic differences were identified among three well‐defined regions: the western Florida coast, the south‐eastern US Atlantic coast, and the southern Gulf of Mexico. Results support previous studies based on mitochondrial DNA sequences in defining differences among these regions and suggest limitations of bonnethead sharks in routinely performing long‐distance migrations.

The limited connectivity among regions explains the pattern of genetic divergence but also reported divergence at the species/subspecies level. These genetically discrete bonnethead populations have independent evolutionary histories that may include local adaptations to specific areas.

Bonnethead sharks are currently managed as two stocks in the USA owing to recent genetic, tagging, and life history studies; however, no stock assessments or management plans exist for Mexico. These results not only serve to reinforce US management strategies and provide critical data about the extent of gene flow and sex dispersal among populations, but also begin the process of effective management in the waters of Mexico to ensure the long‐term productivity and resilience of this species. With an absence of gene flow between populations from US waters and the southern Gulf of Mexico, there is a need for management plans based upon independent biological and population dynamics data since limited or no opportunities for populations to interchange individuals may occur to re‐establish population viability.
Kinetically Manipulating the Nucleus Attachment to Create Atypical Defective Rh−Pt Alloyed Nanostructures as Active Electrocatalysts
Authors: Liu Kai , Lyu Zixi , Chen Xuejiao , Liao Xinyan , Chen Guanhong , Lin Xin , Wang Wei , Xie Shuifen
Published: August 2020

Defective metal nanostructures have attracted great attention due to the striking catalytic behavior of the defect sites. Atypical metal nanocrystals generated from attached nuclei can accommodate abundant grain boundaries (GBs) and twin boundaries (TBs). However, the understanding of their growth‐mechanism and precisely synthetic control over such defective nanocrystals are still scarce. Herein, using the Rh−Pt nanoalloy as a model system, we systematically demonstrate that a prudent control of the reaction kinetics can manipulate the metal nucleation and nucleus attachment to create atypical nanocrystals, including small isolated nanoparticles (NPs), defect‐rich wavy nanowires (WNWs), and {100} facet‐bounded spliced nanocubes (SNCs). In the ethanol oxidation electrocatalysis, the Rh47Pt53 WNWs featured with abundant TBs and GBs show the greatest mass activity (0.655 A ⋅ mg−1Pt, 2.9 times to the commercial Pt/C) and durability. Our work captures the core of reaction kinetics on regulating the nucleus attachment and enables the rational control over the nanocrystal morphology and defect.
Preservation of some stochastic orders by distortion functions with application to coherent systems with exchangeable components
Authors: Arriaza Antonio , Sordo Miguel A.
Published: August 2020

The preservation of stochastic orders by distortion functions has become a topic of increasing interest in the reliability analysis of coherent systems. The reason of this interest is that the reliability function of a coherent system with identically distributed components can be represented as a distortion function of the common reliability function of the components. In this framework, we study the preservation of the excess wealth order, the total time on test transform order, the decreasing mean residual live order, and the quantile mean inactivity time order by distortion functions. The results are applied to study the preservation of these stochastic orders under the formation of coherent systems with exchangeable components.
Effects of slight structural distortion on the luminescence performance in (Ca1‐xEux)WO4 luminescent materials
Authors: Wu Feng‐Nian , Yu Hua‐Jian , Hu Yan‐Yan , Zhang Hua‐Di , Zhang Rui , Li Jing , Liu Bing , Wang Xu‐Ping , Yang Yu‐Guo , Wei Lei
Published: August 2020

(Ca1‐xEux)WO4 (x = 0–21 mol%) phosphors were prepared using the classical solid‐state reaction method. The influence of Eu3+ ion doping on lattice structure was observed using powder X‐ray diffraction and Fourier transform infrared spectroscopy. Furthermore, under this influence, the luminescence properties of all samples were analyzed. The results clearly illustrated that the element europium was successfully incorporated into the CaWO4 lattice with a scheelite structure in the form of a Eu3+ ion, which introduced a slight lattice distortion into the CaWO4 matrix. These lattice distortions had no effect on phase purity, but had regular effects on the intrinsic luminescence of the matrix and the f–f excitation transitions of Eu3+ activators. When the Eu3+ concentration was increased to 21 mol%, a local luminescence centre of [WO4]2− groups was detected in the matrix and manifested as the decay curves of [WO4]2− groups and luminescence changed from single exponential to double exponential fitting. Furthermore, the excitation transitions of Eu3+ between different energy levels (such as 7F0→5L6, 7F0→5D2) also produced interesting changes. Based on analysis of photoluminescence spectra and the chromaticity coordinates in this study, it could be verified that the nonreversing energy transfer of [WO4]2−→Eu3+ was efficient and incomplete.
Enantioselective assay of nimodipine in human plasma using liquid chromatography–tandem mass spectrometry
Authors: Isse Fadumo Ahmed , Le Tyson , Mahmoud Sherif Hanafy
Published: August 2020

Nimodipine is a dihydropyridine calcium channel blocker that exhibits higher selectivity toward cerebral blood vessels compared with other members of the same class. It has been shown to improve outcomes and prevent delayed cerebral ischemia in the setting of aneurysmal subarachnoid hemorrhage, a life‐threatening brain bleed. Nimodipine is a chiral compound and it is marketed as a racemic mixture of (+)‐R and (−)‐S enantiomers. (−)‐S‐Nimodipine is approximately twice as potent a vasorelaxant as the racemic mixture and is more rapidly eliminated than the (+)‐R counterpart following oral dosing. Few analytical procedures have been reported to determine nimodipine enantiomers in biological samples; however, the reported methods were time‐consuming, involved multistep extraction procedures and required large sample volumes. Herein, we present an LC–MS/MS method for quantifying nimodipine enantiomers in human plasma using a small sample volume (0.3 ml) and a single liquid–liquid extraction step. The peak area ratios were linear over the tested concentration ranges (1.5–75 ng/ml) with r2 > 0.99. The intraday CV and percentage error were within ±14% while the interday values were within ±13%, making this analytical method feasible for research purposes and pharmacokinetic studies.
Sketch‐based modeling with a differentiable renderer
Authors: Xiang Nan , Wang Ruibin , Jiang Tao , Wang Li , Li Yanran , Yang Xiaosong , Zhang Jianjun
Published: August 2020

Sketch‐based modeling aims to recover three‐dimensional (3D) shape from two‐dimensional line drawings. However, due to the sparsity and ambiguity of the sketch, it is extremely challenging for computers to interpret line drawings of physical objects. Most conventional systems are restricted to specific scenarios such as recovering for specific shapes, which are not conducive to generalize. Recent progress of deep learning methods have sparked new ideas for solving computer vision and pattern recognition issues. In this work, we present an end‐to‐end learning framework to predict 3D shape from line drawings. Our approach is based on a two‐steps strategy, it converts the sketch image to its normal image, then recover the 3D shape subsequently. A differentiable renderer is proposed and incorporated into this framework, it allows the integration of the rendering pipeline with neural networks. Experimental results show our method outperforms the state‐of‐art, which demonstrates that our framework is able to cope with the challenges in single sketch‐based 3D shape modeling.
Evaluation of i‐Motif Formation in the Serotonin Transporter‐Linked Polymorphic Region
Authors: Thorne Bryony N. , Ellenbroek Bart A. , Day Darren J.
Published: August 2020

Neuropsychiatric disorders such as major depressive disorder (MDD) arise from a complex set of genetic and environmental factors. The serotonin transporter (SERT) is a key regulator of synaptic serotonin (5‐HT), and its inhibition is an important pharmacological target for treating MDD. The SERT‐linked polymorphic region (5‐HTTLPR) contains two major variants (short and long) that have been implicated in modulating susceptibility to MDD by altering the level of expression of SERT. Both variants contain C‐rich repeats that conform to consensus i‐motif folding sequences. i‐Motifs are quadruplex DNA structures that have been proposed to have a role in transcription regulation. With spectroscopic techniques, we demonstrate that both alleles are able to form i‐motifs at acidic pH, and at neutral pH under conditions of molecular crowding. This highlights the potential for i‐motif formation to contribute to transcriptional regulation of the serotonin transporter, with a potential role in the pathophysiology of neuropsychiatric disorders.
Techno‐Economic Evaluation of d‐Limonene and α‐Pinene Separation from Citrus and Turpentine Oils
Authors: Becerra Jaime-Andrés , Villa Aída-Luz
Published: August 2020

The evaluation of the technical and economic separation of the monoterpenes α‐pinene and d‐limonene from essential oils, carried out by computational simulation of the vacuum fractional distillation in continuous and batch mode from samples of turpentine and citrus oils, was developed using Aspen Plus® software combined with estimations of operational expenses (OPEX) and capital expenses (CAPEX) based on the Guthrie method. The production of d‐limonene and α‐pinene with high purity from the essential oils is a technically feasible process. From the economic point of view and based on the average annual import costs of turpentine and orange oils in Colombia, it was found that the selling prices of α‐pinene and d‐limonene obtained from the distillation module cost analysis depend on the daily production and can be minimized if essential oils are preliminary extracted from local industrial wastes.
Ultrathin, Compacted Gel Polymer Electrolytes Enable High‐Energy and Stable‐Cycling 4 V Lithium‐Metal Batteries
Authors: Song Shufeng , Tan Xinjie , Zhai Yanfang , Yang Guanming , Yao Jianyao , Li Shuai , Hu Ning , Qi Xueli , Li Ru , Ma Wandong , Wen Zhaoyin , Lu Li
Published: August 2020

Batteries with lithium metal as anodes and gel polymer membranes as electrolytes are promising, because of their high energy densities and improved safety. To achieve metal battery energy densities that are comparable to liquid‐electrolyte batteries, ultrathin and lightweight gel electrolytes with wide electrochemical stability windows are desired. However, it is challenging to make gel polymer electrolyte membranes with comparable thicknesses to commercial polymer electrolyte separators (<20 μm), because of the porous configuration and increased risk of short‐circuiting cells. Here, we report on a 10 μm‐thick compacted gel polymer electrolyte (TCGPE), demonstrated to have a robust chemical interaction between SiO2 nanoparticles and poly(vinylidene fluoride‐co‐hexafluoropropylene) (PVDF‐HFP) chains that are activated via an in situ sol‐gel reaction. The developed TCGPE exhibits an extremely wide electrochemical stability window of 5.5 V vs. Li/Li+ and prevents the batteries from short‐circuiting even at a high current density of 1.0 mA cm−2. Moreover, Li/TCGPE/LiNi0.5Co0.2Mn0.3O2 shows an excellent capacity retention of 99.8 % after 180 cycles at 1 C rate.
Highly Chemoselective Esterification from O‐Aminoallylation of Carboxylic Acids: Metal‐ and Reagent‐Free Hydrocarboxylation of Allenamides
Authors: Pradhan Tapas R. , Lee Hae Eun , Gonzalez‐Montiel Gisela A. , Cheong Paul Ha‐Yeon , Park Jin Kyoon
Published: August 2020

Metal‐free hydrocarboxylation of allenamides with various functionalized carboxylic acids were achieved with complete regio‐ and stereocontrol (>49:1). This environmentally compatible transformation affords γ‐acyloxyenamides with exclusive E‐selectivity. Electron rich, electron poor, aliphatic, aryl, and heterocyclic carboxylic acids all gave excellent yields (avg. 89 %, 47 examples). We demonstrate the synthetic potential of this transformation in the late‐stage modification of complex natural carboxylic acids and simple modification of the products to three‐carbon synthons with ample opportunity for further diversification. DFT studies revealed that the reaction occurs in a stepwise manner through the intermediacy of a conjugated iminum species, which is rapidly captured by the carboxylate ion, resulting in the observed linear selectivity.
Ligand Selectivity by Inserting GCGC‐Tetrads into G‐Quadruplex Structures
Authors: Cao Yanwei , Yang Luyan , Ding Pi , Li Wenjing , Pei Renjun
Published: August 2020

G‐Quadruplexes (G4s) assembled from tandem G‐rich repeat sequences exhibit significant biological functions and applications, which may well depend on their structural features, such as the planar arrangement of G‐tetrads and flexibility of loop regions. It has been found that cytosine‐intercalated G‐repeat sequences also assemble to be quadruplex structures, involving the formation of nonplanar GCGC‐tetrads. Herein, to investigate the effect of GCGC‐tetrads on structural properties of G4s, some previously studied quadruplexes with or without GCGC‐tetrads were selected, and were used to interact with various developed G4 ligands. Our data show that stacked G‐tetrads in quadruplexes are important for the π–π stacking interactions, thus promoting the combination with end‐stacking ligands, such as porphyrins or planar small molecules. This is confirmed by the observation that the quadruplex formed by d(GGGCT4GGGC) with two internal G‐tetrads and two external GCGC‐tetrads can bind to planar ligands in the presence of specific G4‐stabilizing cations, including K+ and Pb2+, and can realize the sensitive detection of Pb2+. However, the quadruplex composed of two external G‐tetrads and two internal GCGC‐tetrads formed by d(GCGGT3GCGG) facilitates the binding of nonplanar ligands, such as triphenylmethane (TPM) dyes, owing to the structural flexibility induced by internal GCGC‐tetrads. This work provides new insights into the interaction between DNA quadruplexes and specific ligands, which is beneficial to the development of quadruplex‐based biosensors and the design of anticancer drugs.
Use of Crown Ether Functions as Secondary Coordination Spheres for the Manipulation of Ligand–Metal Intramolecular Electron Transfer in Copper–Guanidine Complexes
Authors: Haaf Sebastian , Kaifer Elisabeth , Wadepohl Hubert , Himmel Hans‐Jörg
Published: August 2020

Intramolecular electron transfer (IET) between a redox‐active organic ligand and a metal in a complex is of fundamental interest and used in a variety of applications. In this work it is demonstrated that secondary coordination sphere motifs can be applied to trigger a radical change in the electronic structure of copper complexes with a redox‐active guanidine ligand through ligand–metal IET. Hence, crown ether functions attached to the ligand allow the manipulation of the degree of IET between the guanidine ligand and the copper atom through metal encapsulation.
Combining Photodeprotection and Ligation into a Dual‐Color Gated Reaction System
Authors: Alves Jessica , Krappitz Tim , Feist Florian , Blinco James P. , Barner‐Kowollik Christopher
Published: August 2020

We report a photochemical reaction system which requires activation by two colors of light. Specifically, a dual wavelength gated system is established by fusing the visible light mediated deprotection of a dithioacetal with the UV light activated Diels–Alder reaction of an o‐methylbenzaldehyde with N‐ethylmaleimide. Critically, both light sources are required to achieve the Diels–Alder adduct, irradiation with visible or UV light alone does not lead to the target product. The introduced dual gated photochemical system is particularly interesting for application in light driven 3D printing, where two color wavelength activated photoresists may become reality.
Clinical implications of drug‐induced liver injury in early‐phase oncology clinical trials
Authors: Mondaca Sebastian P. , Liu Dazhi , Flynn Jessica R. , Badson Sandy , Hamaway Stefan , Gounder Mrinal M. , Khalil Danny N. , Drilon Alexander E. , Li Bob T. , Jhaveri Komal L. , Schram Alison M. , Kargus Katherine E. , Kasler Mary Kate , Blauvelt Natalie M. , Segal Neil H. , Capanu Marinela , Callahan Margaret K. , Hyman David M. , Gambarin‐Gelwan Maya , Harding James J.
Published: August 2020

Background

Data on drug‐induced liver injury (DILI) and acute liver failure (ALF) in modern phase 1 oncology trials are limited, specifically with respect to the incidence and resolution of DILI and the safety of drug rechallenge.

Methods

This study reviewed all patients who were recruited to phase 1 oncology trials between 2013 and 2017 at Memorial Sloan Kettering Cancer Center. Clinicopathologic data were extracted to characterize DILI, and attribution was assessed on the basis of data prospectively generated during the studies. Logistic regression models were used to explore factors related to DILI and DILI recurrence after drug rechallenge.

Results

Among 1670 cases recruited to 85 phase 1 trials, 81 (4.9%) developed DILI. The rate of DILI occurrence was similar for patients in immune‐based trials and patients in targeted therapy trials (5.0% vs 4.9%), as was the median time to DILI (5.5 vs 6.5 weeks; P = .48). Two patients (0.12%) met the criteria of Hy's law, although none developed ALF. The DILI resolved in 96% of the patients. Pretreatment factors were not predictive for DILI development. Thirty‐six of the 81 patients underwent a drug rechallenge, and 28% of these patients developed DILI recurrence. Peak alanine aminotransferase during the initial DILI was associated with DILI recurrence (odds ratio, 1.04; 95% confidence interval, 1.0‐1.09; P = .035).

Conclusions

In modern phase 1 oncology trials, DILI is uncommon, may occur at any time, and often resolves with supportive measures. Rechallenging after DILI is feasible; however, the high rate of DILI recurrence suggests that clinicians should consider the severity of the DILI episode and treatment alternatives.
Neurochemical phenotype of growth hormone‐responsive cells in the mouse paraventricular nucleus of the hypothalamus
Authors: Quaresma Paula G. F. , dos Santos Willian O. , Wasinski Frederick , Metzger Martin , Donato Jose
Published: August 2020

Multiple neuroendocrine, autonomic and behavioral responses are regulated by the paraventricular nucleus of the hypothalamus (PVH). Previous studies have shown that PVH neurons express the growth hormone (GH) receptor (GHR), although the role of GH signaling on PVH neurons is still unknown. Given the great heterogeneity of cell types located in the PVH, we performed a detailed analysis of the neurochemical identity of GH‐responsive cells to understand the possible physiological importance of GH action on PVH neurons. GH‐responsive cells were detected via the phosphorylated form of the signal transducer and activator of transcription‐5 (pSTAT5) in adult male mice that received an intraperitoneal GH injection. Approximately 51% of GH‐responsive cells in the PVH co‐localized with the vesicular glutamate transporter 2. Rare co‐localizations between pSTAT5 and vesicular GABA transporter or vasopressin were observed, whereas approximately 20% and 38% of oxytocin and tyrosine hydroxylase (TH) cells, respectively, were responsive to GH in the PVH. Approximately 55%, 35% and 63% of somatostatin, thyrotropin‐releasing hormone (TRH) and corticotropin‐releasing hormone (CRH) neurons expressed GH‐induced pSTAT5, respectively. Additionally, 8%, 49% and 75% of neuroendocrine TH, TRH and CRH neurons, and 67%, 32% and 74% of nonneuroendocrine TH, TRH and CRH neurons were responsive to GH in the PVH of Fluoro‐Gold‐injected mice. Our findings suggest that GH action on PVH neurons is involved in the regulation of the thyroid, somatotropic and adrenal endocrine axes, possibly influencing homeostatic and stress responses.
Synthesis of Branched Biolubricant Base Oil from Oleic Acid
Authors: Chen Shuang , Wu Tingting , Zhao Chen
Published: August 2020

The mature manufacturing of synthetic lubricants (poly‐α‐olefins, PAO) proceeds through oligomerization, polymerization, and hydrogenation reactions of petrochemical ethylene. In this work, we utilize the inexpensive bio‐derived oleic acid as raw material to synthesize a crotch‐type C45 biolubricant base oil via a full‐carbon chain synthesis without carbon loss. It contains several cascade chemical processes: oxidation of oleic acid to azelaic acid (further esterification to dimethyl azelate) and nonanoic acid (both C9 chains). The latter is then selectively hydrogenated to nonanol and brominated to the bromo‐Grignard reagent. In a next step, a C45 biolubricant base oil is formed by nucleophilic addition (NPA) of excessive C9 bromo‐Grignard reagent with dimethyl azelate, followed by subsequent hydrodeoxygenation. The specific properties of the prepared biolubricant base oil are almost equivalent to those of the commercial lubricant PAO6 (ExxonMobil). This process provides a new promising route for the production of value‐added biolubricant base oils.
Thermally Regenerable Redox Flow Battery
Authors: Facchinetti Irene , Cobani Elkid , Brogioli Doriano , La Mantia Fabio , Ruffo Riccardo
Published: August 2020

The efficient production of energy from low‐temperature heat sources (below 100 °C) would open the doors to the exploitation of a huge amount of heat sources such as solar, geothermal, and industrial waste heat. Thermal regenerable redox‐flow batteries (TRBs) are flow batteries that store energy in concentration cells that can be recharged by distillation at temperature <100 °C, exploiting low‐temperature heat sources. Using a single membrane cell setup and a suitable redox couple (LiBr/Br2), a TRB has been developed that is able to store a maximum volumetric energy of 25.5 Wh dm−3, which can be delivered at a power density of 8 W m−2. After discharging 30 % of the volumetric energy, a total heat‐to‐electrical energy conversion efficiency of 4 % is calculated, the highest value reported so far in harvesting of low‐temperature heat.
Simultaneous Passivation of Surface Vacancies and Enhancement in Charge Transfer Property of ZnO Electron Transport Layer for Inverted Organic Solar Cells
Authors: Pandi Kavitha , Naveen Kumar Thimmapyampalayam Ramasamy , Lakhera Sandeep Kumar , Neppolian Bernaurdshaw
Published: August 2020

The design and development of a charge carrier transport material are decisive parameters for controlling the organic solar cell's power conversion efficiency (PCE). ZnO is one of the most suitable electron transport materials used in inverted bulk heterojunction polymer solar cells. However, the solution‐processed ZnO has surface defects, which hinders the power conversation efficiency of the device. Herein, it is designed and demonstrated that the 2D NO2 group functionalized reduced graphene oxide (rGN) sheet coated on top of the 1D ZnO nanoridges not only passivates the surface but also enhances the charge transport property of the electron transport layer (ETL), thereby improving the overall PCE by 31%. Atomic force microscopy (AFM), field emission scanning electron microscopy (FESEM), and optical measurements reveal that the highly transparent bilayer ZnO/rGN ETL has uniform film formation and, thereby, improved ohmic contact between the cathode and the photoactive layer. Due to the improved electron transport from the photoanode (PTB7‐Th:PC71BM) to the buffer layer, a photoinduced current density of 20.05 mA cm−2 is achieved. This interface modification by rGN can be an effective strategy to passivate the surface and retards the recombination rate to enhance the efficiency of organic photovoltaic cells.
Baldwin effects in early stone tools
Authors: Corbey Raymond
Published: August 2020

A sizeable dataset comprising millions of lithic artifacts sampling over two million years of early paleolithic tool technology from Africa and Eurasia is now available. The widespread presupposition of an exclusively cultural, that is, socially learned, nature of early stone tools from at least Acheulean times onwards has been challenged by researchers who hypothesize that these tools, a crucial element of early hominin survival strategies, may partly have been under genetic control, next to the effects of various other determinants. The discussion this hypothesis has sparked off in the present journal is here explored somewhat further, focusing on the Baldwin effect.
Comprehensive overview of the quality of plant‐ And animal‐sourced proteins based on the digestible indispensable amino acid score
Authors: Herreman Laure , Nommensen Paul , Pennings Bart , Laus Marc C.
Published: August 2020

Indispensable amino acid (IAA) composition and standardized ileal digestibility (SID) of five animal‐ and 12 plant‐based proteins were used to calculate their respective Digestible Indispensable Amino Score (DIAAS) according to the three age categories defined by the Food and Agriculture Organization (FAO). Mean IAA content and mean SID obtained from each protein dataset were subsequently used to simulate optimal nutritional quality of protein mixtures. Datasets revealed considerable variation in DIAAS within the same protein source and among different protein sources. Among the selected protein sources, and based on the 0.5‐ to 3‐year‐old reference pattern, pork meat, casein, egg, and potato proteins are classified as excellent quality proteins with an average DIAAS above 100. Whey and soy proteins are classified as high‐quality protein with an average DIAAS ≥75. Gelatin, rapeseed, lupin, canola, corn, hemp, fava bean, oat, pea, and rice proteins are classified in the no quality claim category (DIAAS <75). Potato, soy, and pea proteins can complement a broad range of plant proteins, leading to higher DIAAS when supplied in the form of protein mixtures and at specific ratios. Such complementarity highlights the potential to achieve an optimal nutritional efficiency with plant proteins alone.
Radiotherapy after breast‐conserving surgery for elderly patients with early‐stage breast cancer: A national registry‐based study
Authors: Wang Fei , Meszoely Ingrid , Pal Tuya , Mayer Ingrid A , Bailey Christina E. , Zheng Wei , Shu Xiao‐Ou
Published: August 2020

Considerable controversies exist regarding whether elderly patients with early‐stage breast cancer receiving breast‐conserving surgery (BCS) should forgo radiotherapy. We utilized the National Cancer Database to analyze data of 115 516 women aged ≥70 years, treated with BCS for T1‐2N0‐1M0 breast cancer between 2004 and 2014. Multivariable Cox proportional hazards model was used to estimate hazard ratios (HR) and 95% confidence intervals (CI) for mortality 3, 5 and 10 years after 90 days of BCS associated with radiotherapy. Patients who received no radiotherapy had a higher mortality rate than those who received radiotherapy (5‐year survival rate: 71.2% vs 83.8%), with multivariable‐adjusted HRs of 1.65 (95% CI: 1.57‐1.72) for 3‐year mortality, 1.53 (1.47‐1.58) for 5‐year mortality and 1.43 (1.39‐1.48) for 10‐year mortality. The association held even for patients ≥90 years. This association was observed in all strata by reasons for radiotherapy omission, receipt of endocrine therapy or chemotherapy, calendar period and other clinical characteristics, with 40% to 65% increased 5‐year mortality for patients without radiotherapy. This positive association persisted when analyses were restricted to patients with T1N0 and estrogen‐receptor‐positive disease who had received endocrine therapy (5‐year mortality: HR 1.47 [1.39‐1.57]) and in propensity score weighted analyses. Our study shows, in routine practice, elderly patients who received no post‐BCS radiotherapy had higher total mortality than those who received radiotherapy. These findings suggest that the current recommendation of omission of post‐BCS radiotherapy for elderly women with early‐stage breast cancer may need to be reconsidered, particularly for those without contraindication.
Block deformation analysis: Density matrix blocks as intramolecular deformation density
Authors: Ravaei Isa , Azami Seyed Mohammad
Published: August 2020

Block deformation analysis as deformation density of atomic orbitals is introduced to analyze intramolecular interactions. In this respect, density matrix blocks in terms of natural atomic orbitals are employed to find interacting and noninteracting multicenter subsystem and extract the corresponding deformation density. Eigenanalysis of this deformation density is performed to result eigenvalues and eigenorbitals as displaced charge due to the intramolecular interaction and orbital space responsible for charge reorganization, respectively, that possesses advantages of other methods, simultaneously. It is applied to several small molecules, different types of carbon allotropes including zero‐, one‐, and two‐dimensional nanostructures, and challenging systems such as ortho‐hydrogen atoms in planar biphenyl. Results highly correlate with delocalization and Wiberg bond indices and show that eigenvalues of block deformation analysis deserved to be considered as bonding index.