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2022 ◽  
Author(s):  
Xin Wu ◽  
Patrick Wang ◽  
William Lewis ◽  
Yun-Bao Jiang ◽  
Philip Alan Gale

Understanding non-covalent molecular recognition events at biomembrane interfaces is important in biological, medicinal, and materials chemistry research.1 Despite the crucial regulatory roles of anion binding/transport processes at biomembranes, no information is available regarding how strongly anions can bind to naturally occurring or synthetic receptors in lipid bilayer environments compared to their well-established behaviour in solutions.2 To bridge this knowledge gap, we synthesised a flat macrocycle that possesses a record aqueous SO42– affinity among neutral receptors and exploited its unique fluorescence response at interfaces. We show that the determinants of anion binding are extraordinarily different in organic solvents and in lipid bilayers. The high charge density of dihydrogen phosphate and chloride ions prevails in DMSO, however in lipids they fail to bind the macrocycle. Perchlorate and iodide hardly bind in DMSO but show significant affinities for the macrocycle in lipids. Our results demonstrate a surprisingly great advantage of large, charge-diffuse anions to bind to a lipid-embedded synthetic receptor mainly attributed to their higher polarisabilities and deeper penetration into the bilayer, beyond the common knowledge of dehydration energy-governed selectivity. The elucidation of these principles enhances our understanding of biological anion recognition functions in membranes and guides the design of ionophores and molecular machines operating at biomembrane interfaces.


Author(s):  
Dongfeng Dang ◽  
Yanfeng Zhang ◽  
Shujiang Ding ◽  
Zhicheng Zhang

Dongfeng Dang, Yanfeng Zhang, Shujiang Ding and Zhicheng Zhang introduce the Materials Chemistry Frontiers themed collection on materials chemistry research at Xi’an Jiaotong University.


2021 ◽  
Author(s):  
Gershon Kurizki ◽  
Abraham G. Kofman

The control of open quantum systems and their associated quantum thermodynamic properties is a topic of growing importance in modern quantum physics and quantum chemistry research. This unique and self-contained book presents a unifying perspective of such open quantum systems, first describing the fundamental theory behind these formidably complex systems, before introducing the models and techniques that are employed to control their quantum thermodynamics processes. A detailed discussion of real quantum devices is also covered, including quantum heat engines and quantum refrigerators. The theory of open quantum systems is developed pedagogically, from first principles, and the book is accessible to graduate students and researchers working in atomic physics, quantum information, condensed matter physics, and quantum chemistry.


2021 ◽  
Author(s):  
Xin Wu ◽  
Patrick Wang ◽  
William Lewis ◽  
Yun-Bao Jiang ◽  
Philip Alan Gale

Understanding non-covalent molecular recognition events at biomembrane interfaces is important in biological, medicinal, and materials chemistry research.1 Despite the crucial regulatory roles of anion binding/transport processes at biomembranes, no information is available regarding how strongly anions can bind to naturally occurring or synthetic receptors in lipid bilayer environments compared to their well-established behaviour in solutions.2 To bridge this knowledge gap, we synthesised a flat macrocycle that possesses a record aqueous SO42– affinity among neutral receptors and exploited its unique fluorescence response at interfaces. We show that the determinants of anion binding are extraordinarily different in organic solvents and in lipid bilayers. The high charge density of dihydrogen phosphate and chloride ions prevails in DMSO, however in lipids they fail to bind the macrocycle. Perchlorate and iodide hardly bind in DMSO but show significant affinities for the macrocycle in lipids. Our results demonstrate a surprisingly great advantage of large, charge-diffuse anions to bind to a lipid-embedded synthetic receptor mainly attributed to their higher polarisabilities and deeper penetration into the bilayer, beyond the common knowledge of dehydration energy-governed selectivity. The elucidation of these principles enhances our understanding of biological anion recognition functions in membranes and guides the design of ionophores and molecular machines operating at biomembrane interfaces.


2021 ◽  
Author(s):  
Xin Wu ◽  
Patrick Wang ◽  
William Lewis ◽  
Yun-Bao Jiang ◽  
Philip Alan Gale

Understanding non-covalent molecular recognition events at biomembrane interfaces is important in biological, medicinal, and materials chemistry research.1 Despite the crucial regulatory roles of anion binding/transport processes at biomembranes, no information is available regarding how strongly anions can bind to naturally occurring or synthetic receptors in lipid bilayer environments compared to their well-established behaviour in solutions.2 To bridge this knowledge gap, we synthesised a flat macrocycle that possesses a record aqueous SO42– affinity among neutral receptors and exploited its unique fluorescence response at interfaces. We show that the determinants of anion binding are extraordinarily different in organic solvents and in lipid bilayers. The high charge density of dihydrogen phosphate and chloride ions prevails in DMSO, however in lipids they fail to bind the macrocycle. Perchlorate and iodide hardly bind in DMSO but show significant affinities for the macrocycle in lipids. Our results demonstrate a surprisingly great advantage of large, charge-diffuse anions to bind to a lipid-embedded synthetic receptor mainly attributed to their higher polarisabilities and deeper penetration into the bilayer, beyond the common knowledge of dehydration energy-governed selectivity. The elucidation of these principles enhances our understanding of biological anion recognition functions in membranes and guides the design of ionophores and molecular machines operating at biomembrane interfaces.


2021 ◽  
Author(s):  
Ajay N Ambhore

Abstract In recent years tetrazole scaffolds have been attracted interest in the field of synthetic and medicinal chemistry research. The unique structure of the tetrazole derivatives exhibits widespread applications in biology and technology. The close structural resemblance with carboxylic acid acts as a booster of the latter. Due to this diversified potential utilization, several methods are reported for the synthesis of tetrazole scaffolds. Here in this chapter, we describe the synthesis of chlorobenzyl-oxy-phenyl-ethyl-thio-1H-tetrazole derivatives ( 6a-p ). The newly synthesized derivatives are characterized by spectral characterization and screened for their antifungal activity. Among these, some of the newly synthesized compounds show potent antifungal activity.


2021 ◽  
Vol 18 (3) ◽  
pp. 203-211
Author(s):  
Elizaveta A. Osipovskaya ◽  
Nikolay G. Pshenichny ◽  
Marina V. Kharakhordina

Problem and goal. The article deals with the process of designing the high school internship program of the ITMO Universitys Information Chemistry Center by using information and communications technology (ICT). The program development process involved following stages: client briefing, exploratory study, hypotheses-formation processes and its testing, custom development, learning experience design and project defense. Methodology. The high school students views about the Infochemistry Internship Program were analyzed. Authors conduc- ted in-depth interviews with respondents and retrieved information about students scientific achievements, challenges and recommendations for improving the internship program. During the exploratory research stage the high school internship programs of Russian and foreign universities in the field of biology, chemistry, physics and IT were studied. The initial sample was composed of Stanford University Mathematics Camp (SUMaC), Stanford University Science Circle, Harvard University Summer School (Pre-College Program), Chemistry Research Academy of University of Pennsylvania. Three types of scientific practices - summer camp or summer school, university science circle and a research academy - were identified. Results. The authors emphasized that there is not a single high school internship program in the field of chemistry in Russia like at IMTO University. This immerse education program is based on laboratory learning that allows students experience chemistry principles under the guidance of leading scientists. The concept of the program based on the science education model. It involves the personalized learning pathway, scaffolding activities, and participation in the research project. Flexible learning pathway is the core of the program that includes various levels of personalization: project, scaffolding means, pace of learning, educational content, educational result. To prove the importance of using ICT and social media in educational process authors found the results of the research conducted by University College Dublin and University of Melbourne. Conclusion. The paper has highlighted the significance of revamping internship programs, identified the most common types of scientific practices and proved the importance of selected program principles.


Author(s):  
Samantha Kanza ◽  
Cerys Willoughby ◽  
Colin Leonard Bird ◽  
Jeremy Graham Frey

As the volume of data associated with scientific research has exploded over recent years, the use of digital infrastructures to support this research and the data underpinning it has increased significantly. Physical chemists have been making use of eScience infrastructures since their conception, but in the last five years their usage has increased even more. While these infrastructures have not greatly affected the chemistry itself, they have in some cases had a significant impact on how the research is undertaken. The combination of the human effort of collaboration to create open source software tools and semantic resources, the increased availability of hardware for the laboratories, and the range of data management tools available has made the life of a physical chemist significantly easier. This review considers the different aspects of eScience infrastructures and explores how they have improved the way in which we can conduct physical chemistry research. Expected final online publication date for the Annual Review of Physical Chemistry, Volume 73 is April 2022. Please see http://www.annualreviews.org/page/journal/pubdates for revised estimates.


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