Chemically Research Articles

Role of Yoga Prana Vidya (YPV) system in the successful management of metabolic diseases: A Review

Metabolism is the complicated chemical reaction in the body's cells that changes food into energy. Nutrition and metabolism are correlated. Metabolic syndrome, a spectrum of metabolic disorders such as obesity, diabetes, cholesterol, blood pressure, etc., is a significant public health problem in India. Prevention and control of metabolic disorders is the focus of healthcare systems. This paper presents a review of recent research on how the Yoga Prana Vidya(YPV) System of Healing protocols have successfully resolved metabolic issues.This study uses a literature review method to identify relevant research articles and synthesize the results. A total of 9 eligible research articles meeting the criteria were selected and the combined sample was 257 people. 2 papers have case studies with a sample of 3 and the remaining 7 have a sample of 254 people who improved metabolic well-being. In 4 out of the 7 studies, the sample of 207 patients experienced statistically significant improvements in body weight, BMI, and waist size within 1 to 7 days of healing camp. Results from the remaining 3 studies with a sample of 47 show marginally significant improvements.The evidence gathered from this study validates the YPV system as a performing therapy to effectively prevent and manage metabolic disorders. Further research with appropriate samples and methodologies is recommended.

Unsteady MHD Casson fluid flow past a vertical plate in the presence of viscid dissipation and Dufour effects

PurposeThis research investigates the impact of Dufour effects and viscous dissipation on unsteady magnetohydrodynamic (MHD) natural convection in an incompressible, viscous, and electrically conductive fluid over a vertically oscillating flat plate. The study highlights the significance of magnetic fields in influencing thermal and mass transfer, particularly in the context of thermal radiation. Computational fluid dynamics method including finite difference or finite element techniques can be used to crack the governing equations of the fluid flow. In this work, we used the finite element method (FEM) numerical technique to analyze the numerical behavior of unsteady boundary layer flow of Casson fluid with natural convection past an oscillating vertical plate. Key parameters such as skin friction, temperature, concentration, velocity and Sherwood numbers are derived and analyzed. The results demonstrate that viscous dissipation significantly elevates the fluid temperature, while an increase in the radiation parameter is associated with a decrease in internal friction at the plate. These findings provide critical insights into the interplay between thermal radiation and magnetic fields in MHD flows, with potential applications in engineering systems involving heat and mass transfer, such as cooling systems and material processing. This study underscores the importance of understanding these dynamics for optimizing the performance of MHD applications in various industrial settings.Design/methodology/approachThe mainly authorized and energetic FEM to explain the non-linear, dimensionless partial differential equations (11–13) via equation with boundary conditions (14) makes use of Bathe (36), Reddy (37), Connor (38) and Chung (39). Following are the key steps that make up the method: discretize the domain, derivation of element equation, assembly of element equation, imposition of boundary condition and solution of assembly equation.FindingsThis study examined the impact of viscid dissipative radiation and the Dufour effect on unsteady one-dimensional MHD natural convective flow of a viscous, incompressible, electrically conducting fluid past an infinite moving vertical flat plate with a chemical reaction. Numerically solving the governing equations using the FEM approach is efficient and precise, aiming to be applied to fluid mechanics and related problems. Along with their effects on temperature, concentration and velocity, the following parameters are included: the mass Grashof number, the Soret number, the Grashof number, the Prandtl number, chemical reaction, the Schmidt number, radiation and the Casson parameter. Both the Grashof numbers of thermal and mass rates (Gr, Gm) make an increment in the velocity region. The velocity decreases with an increase in the magnetic parameter. The velocity increases with an increase in the permeability of the porous medium parameter. The temperature flow rate is higher for both Dufour and Viscid dissipation, while a decrement is noted of both Prandtl number and radiation effects. The decrementing behavior of the concentration region is observed at supreme inputs of chemical reaction coefficient and Schmidt number.Originality/valueThis is an original paper and not submitted anywhere.

Interfacial Oxygen Vacancy of CuOx-CeO2 Enhances H2O2 Activation and Pollutant Degradation.

In the Fenton process, the development of catalysts with a wide pH range and good stability has been a long-term goal in water treatment technology. This study proposes a strategy to solve this problem by preparing supported catalysts CuOx@CeO2-IE using an ion exchange reversed loading method. The generation of a large number of interfacial oxygen vacancies with Cu-OV-Ce (OV represents an oxygen vacancy site) structures prolongs the O-O bond of H2O2, promotes the rupture of the peroxide bond of H2O2, and thereby promotes the activation of H2O2 on the surface of the catalyst. The results show that with a H2O2 concentration of 5 mM and CuOx@CeO2-IE at 50 mg/L, the removal rate of bisphenol A is 94.1% in 60 min, in which •OH dominates the degradation process. Moreover, the system can operate well within a relatively wide pH range (4-8). This study provides a novel strategy for the design of Fenton catalysts with a wide pH suitability and excellent stability.

RECEIVING AND ADSORPTION CHARACTERISTICS OF BIOCARBON MATERIALS FROM HOUSEHOLD WASTE

The aim of this research is the development of new carbon materials based on agricultural waste and a detailed study of their physicochemical properties, which allows to evaluate the potential directions of use of these materials in industry and environmental technologies. Within the framework of the work, four types of waste were chosen, in particular, wood sawdust, apple cake, as well as wheat and corn husks, which are widely available and rarely used as raw materials for creating adsorbents. The selected materials were subjected to the process of pyrolysis at a temperature of 500°C for one hour, which effectively preserves the porous structure of the material and improves its adsorption properties. The obtained samples of biocarbon materials were analyzed using nitrogen porosimetry, which made it possible to determine their adsorption potential, porosity, and total surface area. The results of the study showed a significant difference in the adsorption capacity of the samples, depending on the type of raw material. The sample based on corn husk demonstrated the highest adsorption activity, which indicates its potential for water purification from various types of pollution, including organic and inorganic compounds, heavy metals and other toxic substances. In addition, an additional analysis of the samples was carried out in order to assess their potential in other industries. In particular, the revealed porosity and surface area of ​​the materials allow us to consider them as promising components for filtration systems, catalysts in chemical reactions, materials for energy storage, as well as means for environmental protection and environmental restoration. The results of the study confirm that the use of agricultural waste for the creation of functional carbon materials is not only economically beneficial, but also an ecologically appropriate approach, which contributes to reducing the amount of waste and creating new opportunities for sustainable development.

Acceleration of Reaction Space Projector Analysis Using Combinatorial Optimization: Application to Organic Chemical Reactions.

In recent years, automated reaction path search methods have established the concept of a reaction route network. The Reaction Space Projector (ReSPer) visualizes the potential energy hypersurface into a lower-dimensional subspace using principal coordinates. The main time-consuming process in ReSPer is calculating the structural distance matrix, making it impractical for complex organic reaction route networks. We implemented the Alternate Optimization (AO) algorithm, one of the combinatorial optimizations, in ReSPer to reduce computational costs. Evaluations using gold clusters and the Au5 several reaction route networks showed that ReSPer-AO accurately computes distances with lower computational costs. Applying ReSPer-AO to the C5H8O reaction route network clarified dynamic conformation changes in its potential energy landscape. The ReSPer-AO method enables analysis of chemical reactions and dynamic conformations in a low-dimensional reaction space that accurately represents hydrocarbon reaction route networks.

Heterogeneous Catalysis of Molecular‐Like Au8M(PPh3)8n+ Clusters Cultivated in Mesoporous SBA‐15

AbstractIt is a dream of researchers to be able to tailor the catalytic performances by adjusting heterogeneous catalysts at the atomic level. Atomically precise metal clusters provide us with the possibility to achieve this challenge. Here, we design a push‐and‐pull synthesis strategy coupled with TiOx coating to prepare the heterogeneous catalysts denoted as TiOx/Au8M@SBA via cultivating atomically precise Au8M(PPh3)8n+ (M=Pd, Pt or Au; n=2 for Pd/Pt and 3 for Au) clusters in mesoporous molecular sieve. The catalysts are made up of the three functional units, which include Au8M(PPh3)8n+ clusters that can act as the active sites, the pore environment of the SBA‐15 that can announce a catalysis show for the clusters with precise number of atoms maintained during the chemical reactions, and the TiOx coating that can further inhibit the migration of the clusters under reaction conditions. The selective hydrogenation of acetylene performed in the fixed‐bed reactor taken, for example, we learn how the atom‐by‐atom tailoring of a heterogeneous catalyst can switch on elusive heterogeneous mechanisms with cluster catalysis. This work sheds light on the fundamental insight into catalysis origin of heterogeneous catalysts and achieves a distinguished level of detail for cluster catalysis.

Heterogeneous Catalysis of Molecular-Like Au8M(PPh3)8 n+ Clusters Cultivated in Mesoporous SBA-15.

It is a dream of researchers to be able to tailor the catalytic performances by adjusting heterogeneous catalysts at the atomic level. Atomically precise metal clusters provide us with the possibility to achieve this challenge. Here, we design a push-and-pull synthesis strategy coupled with TiOx coating to prepare the heterogeneous catalysts denoted as TiOx/Au8M@SBA via cultivating atomically precise Au8M(PPh3)8 n+ (M=Pd, Pt or Au; n=2 for Pd/Pt and 3 for Au) clusters in mesoporous molecular sieve. The catalysts are made up of the three functional units, which include Au8M(PPh3)8 n+ clusters that can act as the active sites, the pore environment of the SBA-15 that can announce a catalysis show for the clusters with precise number of atoms maintained during the chemical reactions, and the TiOx coating that can further inhibit the migration of the clusters under reaction conditions. The selective hydrogenation of acetylene performed in the fixed-bed reactor taken, for example, we learn how the atom-by-atom tailoring of a heterogeneous catalyst can switch on elusive heterogeneous mechanisms with cluster catalysis. This work sheds light on the fundamental insight into catalysis origin of heterogeneous catalysts and achieves a distinguished level of detail for cluster catalysis.

Analysis of the Performance Improvement Mechanism of Foamed Rubber Asphalt Based on Micro and Macro Perspectives

Foamed rubber asphalt has attracted wide attention in cold-recycled pavement projects due to its excellent performance, strong construction performance and resource conservation, but the mechanism of its performance improvement after foaming is still unclear. In order to explore the difference in the performance of rubber asphalt before and after foaming, this study systematically analyzed the performance improvement mechanism of asphalt from nano, micro and macro perspectives. Molecular dynamics simulation results show that the density and modulus of rubber asphalt decrease after foaming. After foaming, the glass transition temperature of rubber asphalt decreased by 4.4 K, and the free volume fraction decreased by 4.7%, which indicated that its low-temperature toughness was enhanced. The simulation results also illustrate the performance enhancement mechanism of rubber asphalt. Rubber and asphalt are physically mixed and do not undergo chemical reactions. However, foaming makes the rubber particles more evenly distributed, helping to improve the toughness and fatigue properties of asphalt. Macroscopic test results show that the high-temperature performance and fatigue performance of foamed asphalt are reduced, while the low-temperature performance is improved. The molecular simulation results are consistent with the experimental results, providing a comprehensive explanation for the improvement mechanism of rubber asphalt performance.

High Efficiency in Clean Hydrogen Production Using Water and AlLi Phases Prepared by Mechanical Alloying

In this work, the results of clean hydrogen production from the direct chemical reaction between aluminum–lithium compounds and distilled water under normal conditions, without additives or catalysts, are presented. The material was prepared by mechanical alloying using a high-energy Spex-type mill in an Al20Li ratio. Relatively short milling times were programmed for the preparation of AlLi phases. Through this process, two phases (AlLi and Al8.9Li1.1) were identified, which react efficiently to produce clean hydrogen. The experiments demonstrate fast and self-sustained reactions between AlLi phases and distilled water. In both the phase preparation and hydrogen generation, 100% efficiency was achieved. The hydrolysis reaction occurred quickly, and the hydrogen volume generated was 1700 mL/g of material. Under these conditions, aluminum generates 1390 mL of hydrogen, and lithium generates 310 mL/g from both AlLi phases. A single by-product (LiAl2(OH)7·2H2O) was identified. According to the results and the conditions applied in this research, the hydrogen produced does not require prior purification and can therefore be used directly in fuel cells. The AlLi–water reaction is a promising process for generating hydrogen in a simple and relatively short time compared to other hydrogen production methods. In this process, no greenhouse gas emissions were produced.

Surface Plasmon-Driven Versatile Enhancement of Chemosensing.

Chemo-sensors have deeply integrated into various facets of our daily lives. To further satisfy the increasing performance demand, the current attempts are mainly centered on materials science approaches, usually involving time-& labor-consuming structure designing, synthesis, and modification. To date, it remains largely unexplored to enhance sensing material performance at the fundamental physical level by strategic exploitation of optical properties. In this work, we proposed a facile and versatile approach for improving the material performance by strategically utilizing the surface plasmon resonance─a characteristic property of optical devices. This approach is revealed to have a dual effect on fluorescence-based chemosensing: it amplifies the collection of fluorescence signals and simultaneously expedites the kinetics of chemical reactions. In this work, we developed a surface plasmon-driven fluorescence-based chemosensor that utilizes the 2,4,6-trisformyl phenol-diethylamine (TFP-I) fluorescent probe for the detection of hydrogen peroxide (H2O2) gas molecules. By harnessing the dual-effect induced by surface plasmons, we achieved outstanding sensing performance for H2O2 gas molecules, characterized by 0.0225 ppt sensitivity and an exceedingly low limit of detection. This study substantiates the applicability of the surface plasmon resonance-based optical effect in the realm of fluorescent chemical materials for sensing performance amplification. Beyond this, it pioneers the strategic harnessing of optical effects to manipulate the performance of chemical materials, particularly for the advancement of sensing capabilities.

Triple‐Purpose Thiocyanate‐Containing Protic Ionic Liquids: Chemodivergent Transformations of Dihydroimidazolones into Imidazo[4,5‐d]oxazolethiones and Imidazo[4,5‐d]thiazolones

Triple‐purpose protic ionic liquids were employed as a solvent, a Brønsted acid catalyst, and a source of the nucleophile (thiocyanate‐ion) for the chemodivergent transformation of dihydroimidazolones into 2‐thioxohexahydro‐5H‐imidazo[4,5‐d]oxazol‐5‐ones and tetrahydro‐2H‐imidazo[4,5‐d]thiazole‐2,5(3H)‐diones. An important feature of this process is the switching of its chemoselectivity by simple variation of the reaction temperature, other conditions being the same; this allowed both types of products to be obtained selectively. Straightforward aqueous work‐up of reaction mixture provided crystalline bicyclic products in pure form in an environmentally friendly manner.

Triflic Acid-Mediated Chemoselective Indole C2-Heteroarylation of Peptide Tryptophan Residues by Triazine.

Peptide modification provides opportunities to afford peptides with designed functions. Among the proteogenic amino acids, tryptophan represents an ideal and attractive target for peptide modification because of the exclusive chemical reactivity of its unique indole structure. Herein, we reported an indole C2 position-selective and transition-metal-free modification approach for indole derivatives and tryptophan-containing peptides by triazine derivatives via triflic acid activation and that the incorporated functional group could act as an orthogonal handle for further bioconjugation via an inverse electron demand Diels-Alder reaction.

Paleoproterozoic Mississippi Valley-type mineralization at Black Angel, Greenland: evidence from sulfide δ66Zn and rhenium-osmium geochronology

AbstractWe provide timestamps for the major zinc-lead (Zn-Pb) Mississippi Valley-type Black Angel deposit (Greenland) based on new pyrite rhenium-osmium (Re-Os) isotope geochemistry data: (1) a Re-Os isochron age 1,884 ± 35 million years ago (Ma – 2σ, 1.8%) for subhedral pyrite cemented by sphalerite ± galena in dolomitized clean limestone, and, (2) a Re-Os model age 1,828 ± 16 Ma (2σ, 0.9%) for epigenetic massive pyrite in siltstone/mudstone cap rock. Zinc-lead mineralization in evaporite-bearing carbonates in the Karrat Basin took place ca. 1,884 Ma at the time of far-field fluid flow associated with back-arc spreading ca. 1,900–1,850 Ma. Mineralization predates the development of the Rinkian foreland basin (ca. 1,850 – < 1,800 Ma) and a collisional stage (ca. 1,830 – < 1,800 Ma) in the context of the telescoping Rinkian and the Nagssugtoqidian Orogens. Replacement of clean carbonate and sustained acid neutralization led to significant sphalerite precipitation ca. 1,884 Ma. Conversely, precipitation of epigenetic massive pyrite in the cap rock ca. 1,828 Ma may signal (1) the lack of chemical reactivity of the cap rock for the pH-buffered conditions needed for Zn-Pb mineralization, and (2) the unfavorable impact of incipient regional Rinkian metamorphism (ca. 1,830–1,800 Ma) and tectonic compression on aquifer permeability and continued brine migration. The initial 187Os/188Os ratio (Osi-pyrite = 1.07 ± 0.32) from isochron regression identifies a crustal origin for Os and, by corollary, other metals in the ca. 1,884 Ma Zn-Pb mineralization. Although the Rae Craton basement rocks comprise the dominant source for metals (based on our Osi-pyrite and δ66Znpyrite/sphalerite data), we identify a complementary contribution in Zn (maximum 12–24%) from Paleoproterozoic sedimentary carbonate. This source of Zn in sedimentary calcite is deemed possible in the context of Paleoproterozoic seawater at high Na/Cl ratio and in the absence of Zn-based eukaryotic metabolism in shallow marine environment.

Quantitative Insight into the Electric Field Effect on CO2 Electrocatalysis via Machine Learning Spectroscopy.

During chemical reactions, especially for electrocatalysis and electrosynthesis, the electric field is the most central driving force to regulate the reaction process. However, due to the difficulty of quantitatively measuring the electric field effects caused at the microscopic level, the regulation of electrocatalytic reactions by electric fields has not been well digitally understood yet. Herein, we took the infrared/Raman spectral signals of CO2 molecules as descriptors to quantitatively predict the effects of different electric fields on the catalytic properties. Taking the metal-doped graphitic C3N4 (g-C3N4) catalyst as an example, we theoretically investigated the adsorption mode and energy of CO2 molecules adsorbed on 27 distinct metal single-atom catalysts under different directions and intensities of electric field. Through a machine learning approach, a spectroscopy-property model between infrared/Raman spectral descriptors and adsorption energy/charge transfer was established, which quantified the facilitation of electric field effects on the CO2 catalytic conversion. Meanwhile, based on the attention mechanism, the catalytic insight of the relationship between spectra and adsorption modes was mined, and the inverse prediction of electric field strength from spectra was realized. This work opens a new quantitative pathway for monitoring and regulating electrocatalytic reactions using machine learning spectroscopy.

Mn and Zn-Doped Multivariate Metal-Organic Framework as a Metalloimmunological Adjuvant to Promote Protection Against Tuberculosis Infection.

A first-in-class vaccine adjuvant delivery system, Mn-ZIF, is developed by incorporating manganese (Mn) into the zinc-containing zeolitic-imidazolate framework-8 (ZIF-8). The mixed metal approach, which allowed for tunable Mn doping, is made possible by including a mild reducing agent in the reaction mixture. This approach allows up to 50% Mn, with the remaining 50% Zn within the ZIF. This multivariate approach exhibits significantly decreased cytotoxicity compared to ZIF-8. The porous structure of Mn-ZIF enables the co-delivery of the STING agonist cyclic di-adenosine monophosphate (CDA) through post-synthetic loading, forming CDA@Mn-ZIF. The composite demonstrated enhanced cellular uptake and synergistic activation of the cGAS-STING pathway, producing proinflammatory cytokines and activating antigen-presenting cells (APCs). In a preclinical Mycobacterium tuberculosis (Mtb) model, CDA@Mn-ZIF formulates with the CysVac2 fusion protein elicited a potent antigen-specific T-cell response and significantly reduced the mycobacterial burden in the lungs of infected mice. These findings highlight the potential of CDA@Mn-ZIF as a promising adjuvant for subunit vaccines, offering a novel approach to enhancing vaccine efficacy and protection against infectious diseases such as tuberculosis.

Microwave-derivatized enhanced-spectrofluorophotometric characterization of nateglinide-loaded solid dispersion adsorbate and greenness profile assessment of method.

Nateglinide is an oral meglitinide that treats diabetes. Nateglinide was determined in several commercial formulations using chromatographic and spectrophotometric methods in published research. Quality-by-design approach was applied to develop the in-house nateglinide-loaded Solid Dispersion Adsorbate (SDA) for improving bioavailability and solubility. To determine nanogram-level nateglinide concentration forthe in-house developed nateglinide-SDA pharmacokinetics required time-consuming and expensive hyphenated analytical techniques such as LC-MS or UPLC-MS. Hence, asensitive spectrofluorophotometric method was developed to estimate nateglinide using NBD-Cl (7-chloro-4-nitrobenzoxadiazole) as the fluorophore. Microwave-aided chemical derivatization of nateglinide with NBD-Cl sped up sample analysis. Chemical reaction solvents were eco-friendly to safeguard aquatic life and environment. The chemical process was optimized by quality by design approach using screening design and response surface modelling. The fluorescence intensity of nateglinide was found to be linear over the concentration range of 20-250 ng/mL with a correlation coefficient of 0.9978. The limits of detection and quantification were found to be 10 and 20 ng/mL respectively. Precision and robustness investigations of the spectrofluorimetric method showed less than 2% relative standard deviations. Nateglinide-SDA drug-release study and pharmacokinetics were performed using the sensitive spectrofluorophotometric method. The in-house developed nateglinide-SDA released 95% of the drug in 30 min time duration. In-house-developed nateglinide-SDA has 1.5 times the oral bioavailability of commercial formulations due to in-vivo absorption. The published analytical methods were compared to the enhanced-spectrofluorophotometric method for user-friendliness, efficiency, cost-of-analysis, and environmental friendliness. The proposed sensitive-spectrofluorophotometric method was found to be robust, rapid, eco-friendly, cost-effective, and simple for the estimation of nateglinide.

Characteristics and Source Apportionment of Ambient Volatile Organic Compounds in Shijiazhuang High-tech Industrial Development Zone in Autumn

Utilizing the online monitoring data of volatile organic compounds （VOCs） and ozone （O3） in the Shijiazhuang high-tech industrial development zone during October 2020, the pollution characteristics of VOCs were analyzed. Subsequently, ·OH estimation, secondary organic aerosol formation potential （SOAP）, and ozone formation potential （OFP） were applied to assess the chemical reactivity of VOCs. Additionally, the source apportionment was identified using the positive matrix factorization （PMF） model. The results revealed that the hourly φ[total VOCs （TVOCs）] were （11-281）×10-9, and the components were ranked by volume fraction in the following order： oxygenated volatile organic compounds （OVOCs） （60.83%）, alkanes （19.98%）, halohydrocarbons （5.64%）, aromatics （5.91%）, alkenes （4.83%）, and alkynes （2.48%）. Although the VOC concentration levels posed negligible non-carcinogenic risks to human health, benzene and ethylbenzene presented carcinogenic risks. The m/p-xylene to ethylbenzene ratio （X/E） varied from 2.5 to 3.4, indicating short-range transport of fresh air masses. Based on the X/E value, the ·OH concentration was 1.75×106 molecule·cm-3, and the ·OH exposure from 07：00 to 14：00 was calculated as 3.77×1010 molecule·s·cm-3. Aromatics played a dominant role in SOA, with a contribution rate as high as 93.35%, while alkenes dominated O3 formation, with the OFP contribution rate reaching up to 46.79%. By applying the PMF model, five major VOC sources were identified, including industrial sources （37.20%）, process flow and solvent use （33.80%）, vehicle and oil/gas evaporation sources （15.47%）, combustion sources （8.03%）, and plant emissions （5.50%）. Industrial and process emissions emerged as the primary contributors to VOCs in the ambient air of the high-tech zone, necessitating targeted control measures within this region.

Chemoenzymatic Synthesis Planning Guided by Reaction Type Score.

Thanks to the growing interest in computer-aided synthesis planning (CASP), a wide variety of retrosynthesis and retrobiosynthesis tools have been developed in the past decades. However, synthesis planning tools for multistep chemoenzymatic reactions are still rare despite the widespread use of enzymatic reactions in chemical synthesis. Herein, we report a reaction type score (RTscore)-guided chemoenzymatic synthesis planning (RTS-CESP) strategy. Briefly, the RTscore is trained using a text-based convolutional neural network (TextCNN) to distinguish synthesis reactions from decomposition reactions and evaluate synthesis efficiency. Once multiple chemical synthesis routes are generated by a retrosynthesis tool for a target molecule, RTscore is used to rank them and find the step(s) that can be replaced by enzymatic reactions to improve synthesis efficiency. As proof of concept, RTS-CESP was applied to 10 molecules with known chemoenzymatic synthesis routes in the literature and was able to predict all of them with six being the top-ranked routes. Moreover, RTS-CESP was employed for 1000 molecules in the boutique database and was able to predict the chemoenzymatic synthesis routes for 554 molecules, outperforming ASKCOS, a state-of-the-art chemoenzymatic synthesis planning tool. Finally, RTS-CESP was used to design a new chemoenzymatic synthesis route for the FDA-approved drug Alclofenac, which was shorter than the literature-reported route and has been experimentally validated.

Controlled Chemical Vapor Deposition and Modification of Carbon Layers inside Quartz Nanopipettes.

Carbon nanopipettes (CNPs) have attracted much attention in nanoscale electrochemical applications recently, while the carbon structure and surface oxygen-containing groups limit its applications. Herein, we grow the carbon nanotubes (CNTs) inside the quartz nanopipet via the chemical vapor deposition method, and the fabricated carbon nanotube nanopipettes (CNT-NPs) exhibit better electrochemical responses toward biomolecules such as glutathione and ascorbic acid, compared to the conventional CNPs. In addition, the carbon nanopipette can also be easily doped by a chemical reaction with urea, to display positive surface charges and high electrochemical activity for H2O2 oxidation/reduction. This work provides an easy way to tailor the surface structure and charges of the deposited carbon inside the pipettes and thus would further promote its broader usage in electrochemical sensing applications in biological fields.

Dual Interfacial Design Enables Efficient and Stable Semitransparent Wide‐Bandgap Perovskite Solar Cells With Scalable‐Coated Silver Nanowire Contact for Tandem Applications

ABSTRACTSemitransparent perovskite solar cells (PSCs) hold great potential for applications in aesthetic building facades and top‐illuminated tandem devices. Indium tin oxide is currently the frequently used top transparent contact, which would degrade the underlying perovskites during sputter process. Here, we report low‐temperature, scalable solution‐processed silver nanowires (AgNWs) as top window electrodes for fabricating efficient and stable semitransparent PSCs. As a decisive step, an impermeable SnO2 thin film deposited by atomic layer deposition (ALD) is applied to prevent chemical reactions between AgNWs and halides of perovskites. In parallel, the molecular absorption of propylenediamine iodine (PDADI) on perovskite surface, instead of forming two‐dimensional (2D) perovskite capping layer, is found to effectively passivate the perovskite surface, which simultaneously leads to remarkably enhanced thermal stability, thus affording the processing window for ALD‐SnO2 deposition. Eventually, the prepared semitransparent PSCs with a bandgap of 1.71 eV achieve a champion efficiency of 17.5%, being the highest efficiency for semitransparent PSCs with AgNWs top contacts. On these bases, we constructed a four‐terminal perovskite/copper indium gallium diselenide (CIGS) tandem cell, giving a state‐of‐the‐art efficiency of 26.85%.