Crystallography

Article Crystallography

Quality Control of Different Types of Honey and Propolis Collected from Romanian Accredited Beekeepers and Consumer's Risk Assessment

Magdalen Mititelu, Denisa Ioana Udeanu, Mirela Nedelescu, Sorinel Marius Neacsu, Anca Cecilia Nicoara, Eliza Oprea, Manuela Ghica

Summary: Honey is a natural product known for its nutritional value and therapeutic potential, but its quality is crucial due to potential contaminants. This study analyzed heavy metal and pesticide contents in different types of honey from two areas with different industrial activities, and investigated the correlation between soil pollutants and contamination in bee products.

CRYSTALS (2022)

Article Chemistry, Multidisciplinary

A multi-responsive luminescent sensor based on a stable Eu(iii) metal-organic framework for sensing Fe3+, MnO4-, and Cr2O72- in aqueous solutions

Qi-Qi He, Shu-Li Yao, Teng-Fei Zheng, Hui Xu, Sui-Jun Liu, Jing-Lin Chen, Na Li, He-Rui Wen

Summary: JXUST-9 is a novel water-stable Eu(iii) metal-organic framework with good stability, which can be used for detecting Fe3+, MnO4-, and Cr2O72- with low detection limits, and can be regenerated multiple times. Additionally, a rapid detection test paper incorporating JXUST-9 has been developed for visual detection of Fe3+, MnO4-, and Cr2O72- in daily applications.

CRYSTENGCOMM (2022)

Article Chemistry, Multidisciplinary

New fluorinated azo/schiff base liquid crystals: synthesis, characterisation, mesomorphic study and DFT calculations

Kanubhai D. Katariya, Kiran J. Nakum, Mohamed Hagar

Summary: A series of 12 new asymmetric fluorinated azobenzene-Schiff Bases, Aa-l, with different alkyloxy groups varying in carbon chain length from n = 2 to n = 18 at one end and polar atoms like chlorine and fluorine on an aromatic ring at position 3 and 4 were synthesised and studied for their mesomorphic behavior, optical properties, and thermal stability. The compounds exhibited characteristic textures of smectic A phase, and their photo-isomerisation property under UV light was also investigated. Additionally, density functional theory (DFT) calculations were carried out to analyze the thermal and geometrical parameters of the mesogens and understand the relationship between structural parameters and mesomorphic behavior.

LIQUID CRYSTALS (2022)

Article Chemistry, Multidisciplinary

Luminescent Metal-Organic Framework-Based Fluorescence Turn-On and Red-Shift Sensor toward Al3+ and Ga3+: Experimental Study and DFT Calculation

Bi-Lian Chai, Shu-Li Yao, Xin Xie, Hui Xu, Teng-Fei Zheng, Jin-Yan Li, Jing-Lin Chen, Sui-Jun Liu, He-Rui Wen

Summary: A dual-functional sensor based on a two-dimensional metal-organic framework (MOF) has been synthesized and characterized. The sensor, named JXUST-6, exhibits good stability and fluorescence response towards Al3+ and Ga3+ ions. The detection limits for Al3+ and Ga3+ ions are low. The sensor can be used as a test paper for the detection of Al(3+) and ions.

CRYSTAL GROWTH & DESIGN (2022)

Review Chemistry, Multidisciplinary

Impurity incorporation in solution crystallization: diagnosis, prevention, and control

Gerard Capellades, Jacob O. Bonsu, Allan S. Myerson

Summary: Despite the widespread use of solution crystallization for purification, our current methods lack a sufficient understanding of how impurities are incorporated into growing crystals. These limitations have resulted in largely empirical process development strategies that rely on trial and error and solvent selection. This manuscript highlights recent developments in diagnosing, preventing, and controlling impurity incorporation during batch and continuous crystallization processes, with the goal of improving crystal purity in industrial processes.

CRYSTENGCOMM (2022)

Article Chemistry, Multidisciplinary

Two robust Zn(II)-organic frameworks as dual-functional fluorescent probes for efficient sensing of enrofloxacin and MnO4- anions

Yu-Qiao Su, Ruo-Tong Wang, Olga A. Blatova, Yong-Sheng Shi, Guang-Hua Cui

Summary: Selective detection of antibiotics and MnO4- is crucial for human health improvement and environmental protection. Two stable Zn(II)-based metal-organic frameworks were successfully synthesized using a mixed ligands approach, exhibiting excellent chemical and thermal stability. These MOFs are promising dual-functional fluorescent sensors for high-selectivity and sensitivity detection of enrofloxacin/MnO4- anions, marking the first observation of fluorescent MOFs for these analytes.

CRYSTENGCOMM (2022)

Review Crystallography

Liquid Crystal Dimers and Smectic Phases from the Intercalated to the Twist-Bend

Corrie T. Imrie, Rebecca Walker, John M. D. Storey, Ewa Gorecka, Damian Pociecha

Summary: This review explores the relationship between molecular structure and the presence of smectic phases in liquid crystal dimers, and discusses the recent discovery of twist-bend, heliconical smectic phases. The shape of the dimers, whether linear or bent, plays a crucial role in determining their smectic behavior. Symmetric dimers exhibit microphase separation and monolayer smectic phases, while nonsymmetric dimers display intercalated smectic phases. Additionally, odd-membered dimers with sufficient curvature can exhibit twist-bend nematic phases. By utilizing empirical relationships derived for smectogenic and twist-bend nematogenic dimers, new twist-bend, heliconical smectic phases were designed and named SmCTB phases.

CRYSTALS (2022)

Article Chemistry, Multidisciplinary

Amine- and Imine-Functionalized Mn-Based MOF as an Unusual Turn-On and Turn-Off Sensor for d10 Heavy Metal Ions and an Efficient Adsorbent to Capture Iodine

Samrah Kamal, Mohd Khalid, M. Shahnawaz Khan, M. Shahid, Musheer Ahmad

Summary: In this study, a Mn-based metal-organic framework (MOF) was synthesized and found to have dual functionality as a fluorescent sensor for heavy metal ions and as an adsorbent for toxic substances.

CRYSTAL GROWTH & DESIGN (2022)

Review Crystallography

Evolution of a Polydisperse Ensemble of Spherical Particles in a Metastable Medium with Allowance for Heat and Mass Exchange with the Environment

Dmitri Alexandrov, Alexander A. Ivanov, Irina G. Nizovtseva, Stephanie Lippmann, Irina Alexandrova, Eugenya Makoveeva

Summary: Motivated by various applications in physics and materials science, this article presents a generalized approach to the evolution of a polydisperse ensemble of spherical particles in metastable media. The governing equations, including a kinetic equation for the particle-size distribution and a balance equation for the temperature (concentration) of the medium, are formulated. The theory can describe phase transformations and the solutions of the equations are discussed.

CRYSTALS (2022)

Article Crystallography

Synergistic Antibacterial Activity of Green Synthesized Silver Nanomaterials with Colistin Antibiotic against Multidrug-Resistant Bacterial Pathogens

Mohamed Taha Yassin, Ashraf Abdel-Fattah Mostafa, Abdulaziz Abdulrahman Al-Askar, Fatimah O. Al-Otibi

Summary: This study synthesized AgNPs using Salvia officinalis leaf extract and characterized their physicochemical properties. The AgNPs exhibited significant antibacterial activity, especially when used in combination with colistin antibiotic. These findings are important for controlling the spread of nosocomial bacterial infections.

CRYSTALS (2022)

Article Chemistry, Inorganic & Nuclear

Interfacial Engineering of NiFeP/NiFe-LDH Heterojunction for Efficient Overall Water Splitting

Xuanyu Long, Jiazhi Meng, Jiabao Gu, Lanqing Ling, Qianwen Li, Nan Liu, Kaiwen Wang, Zequan Li

Summary: A novel strategy has been developed to construct a heterojunction catalyst consisting of metal phosphide NixFeyP and layered double hydroxide (LDH) with graphene oxide (GO) as conductive support, leading to a significant improvement in overall water splitting performance. The optimized catalyst shows ultra-low overpotentials for hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) and requires a low voltage for overall water splitting with robust stability, surpassing most reported electrocatalysts.

CHINESE JOURNAL OF STRUCTURAL CHEMISTRY (2022)

Article Crystallography

Copper Oxide/Functionalized Graphene Hybrid Nanostructures for Room Temperature Gas Sensing Applications

Monika Gupta, Huzein Fahmi Hawari, Pradeep Kumar, Zainal Arif Burhanudin

Summary: In this study, a hybrid of copper oxide with functionalized graphene was proposed for gas sensing at room temperature. The material exhibited high sensitivity, good electrical conductivity, and showed potential for use in domestic and industrial safety gas sensors.

CRYSTALS (2022)

Article Crystallography

Interpretable Machine Learning Models for Punching Shear Strength Estimation of FRP Reinforced Concrete Slabs

Yuanxie Shen, Junhao Sun, Shixue Liang

Summary: This study establishes machine learning-based models to accurately predict the punching shear strength of FRP reinforced concrete slabs. The comparative analysis shows that adaptive boosting has the highest predicted precision.

CRYSTALS (2022)

Article Crystallography

Green Synthesis of Silver Nanoparticles Using Juniperus procera Extract: Their Characterization, and Biological Activity

Merajuddin Khan, Ponmurugan Karuppiah, Hamad Z. Alkhathlan, Mufsir Kuniyil, Mujeeb Khan, Syed Farooq Adil, Mohammed Rafi Shaik

Summary: This study successfully synthesized silver nanoparticles using Juniperus procera extract as a bioreducing and stabilizing agent. The synthesized nanoparticles exhibited crystalline structure, spherical morphology, and demonstrated effective antimicrobial activity comparable to standard antimicrobial drugs.

CRYSTALS (2022)

Article Chemistry, Multidisciplinary

The very small angle neutron scattering instrument at the National Institute of Standards and Technology

John Barker, James Moyer, Steven Kline, Grethe Jensen, Jeremy Cook, Cedric Gagnon, Elizabeth Kelley, Jean Philippe Chabot, Nicholas Maliszewskyj, Chirag Parikh, Wangchun Chen, R. P. Murphy, Charles Glinka

Summary: The very small angle neutron scattering diffractometer at the National Institute of Standards and Technology offers a wide measurement range and flexible collimation options to meet various experimental needs. By using multiple techniques in combination, the instrument balances high resolution with high beam intensity, providing more choices for experiments.

JOURNAL OF APPLIED CRYSTALLOGRAPHY (2022)

Article Chemistry, Inorganic & Nuclear

Pd(II) and Ni(II) complexes containing ONNO tetradentate Schiff base ligand: Synthesis, crystal structure, spectral characterization, theoretical studies, and use of PdL as an efficient homogeneous catalyst for Suzuki-Miyaura cross-coupling reaction

Hadi Kargar, Mehdi Fallah-Mehrjardi, Reza Behjatmanesh-Ardakani, Mehrnaz Bahadori, Majid Moghadam, Muhammad Ashfaq, Khurram Shahzad Munawar, Muhammad Nawaz Tahir

Summary: Two new palladium(II) and nickel(II) Schiff base complexes were synthesized and characterized through CHN analysis, FT-IR, and H-1 NMR techniques. The crystal structure of the palladium(II) complex was determined using single crystal X-ray diffraction analysis. The theoretical calculations based on density functional theory agreed well with the experimental data.

POLYHEDRON (2022)

Article Chemistry, Multidisciplinary

Topology- and Guest-Dependent Photoelectric Conversion of 2D Anionic Pyrene-Based Metal-Organic Framework

Jian-Hua Qin, Ji-Rui Zhang, Zhi Xiao, Ya-Pan Wu, Huan-Min Xu, Xiao-Gang Yang, Lu-Fang Ma, Dong-Sheng Li

Summary: Interchromophoric interactions are crucial for the development of unique optoelectronic functionalities in pyrene-based MOFs. In this study, a 2D anionic pyrene-based MOF was synthesized and its photoelectric conversion performance was investigated through the encapsulation of cation dyes. The results showed that the encapsulation of dyes could significantly enhance the absorption range and improve the photoelectric conversion performance of the MOF.

CRYSTAL GROWTH & DESIGN (2022)

Review Crystallography

Progress of InGaN-Based Red Micro-Light Emitting Diodes

Panpan Li, Hongjian Li, Matthew S. Wong, Philip Chan, Yunxuan Yang, Haojun Zhang, Mike Iza, James S. Speck, Shuji Nakamura, Steven P. Denbaars

Summary: InGaN-based red micro-size light-emitting diodes (μLEDs) are highly attractive due to their less influenced external quantum efficiency (EQE) by size effect compared to common AlInGaP-based red μLEDs. Additionally, InGaN red μLEDs exhibit robust device performance even at high temperatures up to 400K. This review discusses the progress of InGaN red μLEDs and explores novel growth methods to relax the strain and increase the growth temperature of InGaN red quantum wells.

CRYSTALS (2022)

Article Chemistry, Inorganic & Nuclear

Pyrene-benzothiadiazole-based Polymer/CdS 2D/2D Organic/Inorganic Hybrid S-scheme Heterojunction for Efficient Photocatalytic H-2 Evolution

Ruiqi Gao, Huan He, Junxian Bai, Lei Hao, Rongchen Shen, Peng Zhang, Youji Li, Xin Li

Summary: In this study, a PBBP-based polymer/CdS 2D/2D organic/inorganic S-scheme heterojunction photocatalyst with a strong internal electric field was successfully prepared for efficient photocatalytic hydrogen evolution.

CHINESE JOURNAL OF STRUCTURAL CHEMISTRY (2022)

Review Chemistry, Multidisciplinary

Metal organic framework-based nanostructure materials: applications for non-lithium ion battery electrodes

Jinghan Wang, Kent O. Kirlikovali, Soo Young Kim, Dong-Wan Kim, Rajender S. Varma, Ho Won Jang, Omar K. Farha, Mohammadreza Shokouhimehr

Summary: Non-lithium ion batteries are emerging as potential substitutes for lithium-ion batteries due to their high natural abundance, high theoretical capacities, and reliable operation. However, challenges such as large ionic radius, sluggish electrochemical kinetics, and limitations in compatible electrolytes hinder the development of non-LIBs. Metal-organic frameworks (MOFs) are being explored as high-performance electrode materials for non-LIBs, thanks to their large specific surface areas and excellent synthetic tunability, chemical diversity, and stability.

CRYSTENGCOMM (2022)