The Evolution of the Acylation Mechanism in β-Lactamase and Rapid Protein Dynamics [0.03%]
β-内酰胺酶酰化机制的演变与蛋白质动态变化
Clara F Frost,Dimitri Antoniou,Steven D Schwartz
Clara F Frost
β-Lactamases are a class of well-studied enzymes that are known to have existed since billions of years ago, starting as a defense mechanism to stave off competitors and are now enzymes responsible for antibiotic resistance. Using ancestra...
Comparison of the Efficiency of B-O and B-C Bond Formation Pathways in Borane-Catalyzed Carbene Transfer Reactions Using α-Diazocarbonyl Precursors: A Combined Density Functional Theory and Machine Learning Study [0.03%]
硼烷催化α-叠氮羰基前体 carbene 传递反应中 b-o 和 b-c 成键路径效率的比较：密度泛函理论与机器学习联合研究
Kaveh Farshadfar,Kari Laasonen
Kaveh Farshadfar
Lewis acidic boranes, especially tris(pentafluorophenyl)borane [B(C6F5)3], have emerged as metal-free catalysts for carbene transfer reactions of α-diazocarbonyl compounds in a variety of functionalization reactions. The established mechan...
The Role of General Acid Catalysis in the Mechanism of an Alkyl Transferase Ribozyme [0.03%]
通用酸催化在烷基转移酶核酶机制中的作用
Timothy J Wilson,Erika McCarthy,Şölen Ekesan et al.
Timothy J Wilson et al.
MTR1 is an in vitro-selected alkyl transferase ribozyme that transfers an alkyl group from O 6-alkylguanine to N1 of the target adenine in the RNA substrate (A63). The structure of the ribozyme suggested a mechanism in which a cytosine (C10...
Unveiling the Synergy between Surface Terminations and Boron Configuration in Boron-Based Ti3C2 MXenes Electrocatalysts for Nitrogen Reduction Reaction [0.03%]
基于Ti3C2 MXene的硼基电催化剂中表面端基与硼构型之间的协同作用及其在氮还原反应中的作用机制研究
Ling Meng,Francesc Viñes,Francesc Illas
Ling Meng
The performance of B-containing Ti3C2 MXenes as catalysts for the nitrogen reduction reaction (NRR) is scrutinized using density functional theory methods on realistic models and accounting for working conditions. The present models include...
Electrostatic Preorganization in Three Distinct Heterogeneous Proteasome β-Subunits [0.03%]
三种不同的异质蛋白酶体β亚基中的静电预组织
Silvia Ferrer,Vicent Moliner,Katarzyna Świderek
Silvia Ferrer
The origin of the enzyme's powerful role in accelerating chemical reactions is one of the most critical and still widely discussed questions. It is already accepted that enzymes impose an electrostatic field onto their substrates by adoptin...
Hydrogen Evolution Reaction Activity in Mo2TiC2T x MXene Derived from Mo2TiAlC2 MAX Phase: Insights from Compositional Transformations [0.03%]
Mo2TiAlC2最大相中衍生的Mo2TiC2TxMXene的析氢反应活性：成分转变带来的启示
Jan Luxa,Petr Kupka,Fedor Lipilin et al.
Jan Luxa et al.
MAX phases represent a crucial building block for the synthesis of MXenes, which constitute an intriguing class of materials with significant application potential. This study investigates the catalytic properties of the Mo2TiAlC2 MAX phase...
Asymmetric Monoreduction of α,β-Dicarbonyls to α-Hydroxy Carbonyls by Ene Reductases [0.03%]
烯还原酶对α,β-二羰基化合物的不对称单加氢还原生成α-羟基羰基化合物
Allison E Wolder,Christian M Heckmann,Peter-Leon Hagedoorn et al.
Allison E Wolder et al.
Ene reductases (EREDs) catalyze asymmetric reduction with exquisite chemo-, stereo-, and regioselectivity. Recent discoveries led to unlocking other types of reactivities toward oxime reduction and reductive C-C bond formation. Exploring no...
Mechanistic Investigation into Copper(I) Hydride Catalyzed Formic Acid Dehydrogenation [0.03%]
铜(I)氢化物催化形式酸脱氢的机理研究
Roel L M Bienenmann,Anne Olarte Loyo,Martin Lutz et al.
Roel L M Bienenmann et al.
Copper(I) hydride complexes are typically known to react with CO2 to form their corresponding copper formate counterparts. However, recently it has been observed that some multinuclear copper hydrides can feature the opposite reactivity and...
Specific Photocatalytic C-C Coupling of Benzyl Alcohol to Deoxybenzoin or Benzoin by Precise Control of Cα-H Bond Activation or O-H Bond Activation by Adjusting the Adsorption Orientation of Hydrobenzoin Intermediates [0.03%]
通过调整联苯羟胺中间体的吸附取向精制控制Cα-H键活化或O-H键活化实现苯甲醇光催化偶联合成去氢扁桃酸或扁桃酸
Zongyang Yue,Guanchu Lu,Wenjing Wei et al.
Zongyang Yue et al.
Benzyl alcohol (BA) is a major biomass derivative and can be further converted into deoxybenzoin (DOB) and benzoin (BZ) as high-value products for industrial applications through photocatalytic C-C coupling reaction. The photocatalytic proc...
Redefining the Symphony of Light Aromatic Synthesis Beyond Fossil Fuels: A Journey Navigating through a Fe-Based/HZSM-5 Tandem Route for Syngas Conversion [0.03%]
超越化石燃料的芳香合成交响乐的重新定义：通过Fe-Based/HZSM-5串联路线转化合成气之旅
Muhammad Asif Nawaz,Rubén Blay-Roger,Maria Saif et al.
Muhammad Asif Nawaz et al.
The escalating concerns about traditional reliance on fossil fuels and environmental issues associated with their exploitation have spurred efforts to explore eco-friendly alternative processes. Since then, in an era where the imperative fo...